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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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/compbio_1-ef5c9552/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/compbio_1-ef5c9552/inputs/seq.fa: 1
curr_seq: _CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCUGUUUUUUAUCUUCGUGUUUUUUAUCGUUUUCGUUGUCGUUGUCGCUUUCCUCAUUUUUUUAUUUGUUCUGUUGGUUUUUCUCAUCCUCAUUCUCAUUCGAAUGAGAAUGAGGAUGAGAAAAACCAACAGAACAAAUAAAAAAAUGAGGAAAGCGACAACGACAACGAAAACGAUAAAAAACACGAAGAUAAAAAACAGAG
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 204 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: 1025
n_atoms_counter: 1025
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 204.000000 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: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -803.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.607085 (E_RNA)
where:
Base-Base interactions energy: -9.599
where: short stacking energy: -9.599
Base-Backbone interact. energy: -0.000
local terms energy: -794.007895
where:
bonds (distance) C4'-P energy: -198.202
bonds (distance) P-C4' energy: -183.404
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -171.334
tors. eta vs tors. theta energy: -91.286
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: 2
Temperature: 0.900000
Total energy: -939.452574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.452574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.452574 (E_RNA)
where:
Base-Base interactions energy: -369.509
where: short stacking energy: -365.745
Base-Backbone interact. energy: -0.314
local terms energy: -569.629814
where:
bonds (distance) C4'-P energy: -119.831
bonds (distance) P-C4' energy: -147.359
flat angles C4'-P-C4' energy: -133.621
flat angles P-C4'-P energy: -69.319
tors. eta vs tors. theta energy: -99.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -906.391234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.391234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.391234 (E_RNA)
where:
Base-Base interactions energy: -355.369
where: short stacking energy: -349.674
Base-Backbone interact. energy: 0.203
local terms energy: -551.225023
where:
bonds (distance) C4'-P energy: -126.886
bonds (distance) P-C4' energy: -122.637
flat angles C4'-P-C4' energy: -124.002
flat angles P-C4'-P energy: -77.355
tors. eta vs tors. theta energy: -100.346
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -836.094000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.094000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.094000 (E_RNA)
where:
Base-Base interactions energy: -299.128
where: short stacking energy: -297.915
Base-Backbone interact. energy: -0.226
local terms energy: -536.740551
where:
bonds (distance) C4'-P energy: -124.196
bonds (distance) P-C4' energy: -122.136
flat angles C4'-P-C4' energy: -124.925
flat angles P-C4'-P energy: -79.363
tors. eta vs tors. theta energy: -86.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -803.881505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.881505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.881505 (E_RNA)
where:
Base-Base interactions energy: -10.502
where: short stacking energy: -10.502
Base-Backbone interact. energy: -0.000
local terms energy: -793.379313
where:
bonds (distance) C4'-P energy: -197.970
bonds (distance) P-C4' energy: -183.390
flat angles C4'-P-C4' energy: -149.188
flat angles P-C4'-P energy: -171.138
tors. eta vs tors. theta energy: -91.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -814.663697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.663697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.663697 (E_RNA)
where:
Base-Base interactions energy: -103.568
where: short stacking energy: -103.568
Base-Backbone interact. energy: -0.000
local terms energy: -711.095258
where:
bonds (distance) C4'-P energy: -153.829
bonds (distance) P-C4' energy: -146.306
flat angles C4'-P-C4' energy: -150.524
flat angles P-C4'-P energy: -158.619
tors. eta vs tors. theta energy: -101.818
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -805.845211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.845211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.845211 (E_RNA)
where:
Base-Base interactions energy: -57.435
where: short stacking energy: -57.435
Base-Backbone interact. energy: -0.000
local terms energy: -748.410309
where:
bonds (distance) C4'-P energy: -173.027
bonds (distance) P-C4' energy: -155.773
flat angles C4'-P-C4' energy: -156.338
flat angles P-C4'-P energy: -163.539
tors. eta vs tors. theta energy: -99.734
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -803.498247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.498247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.498247 (E_RNA)
where:
Base-Base interactions energy: -10.495
where: short stacking energy: -10.495
Base-Backbone interact. energy: -0.000
local terms energy: -793.003447
where:
bonds (distance) C4'-P energy: -197.970
bonds (distance) P-C4' energy: -183.390
flat angles C4'-P-C4' energy: -148.900
flat angles P-C4'-P energy: -171.175
tors. eta vs tors. theta energy: -91.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -813.816193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.816193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.816193 (E_RNA)
where:
Base-Base interactions energy: -39.634
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.000
local terms energy: -774.182491
where:
bonds (distance) C4'-P energy: -188.151
bonds (distance) P-C4' energy: -174.479
flat angles C4'-P-C4' energy: -149.441
flat angles P-C4'-P energy: -168.703
tors. eta vs tors. theta energy: -93.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -820.235822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.235822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.235822 (E_RNA)
where:
Base-Base interactions energy: -41.400
where: short stacking energy: -41.400
Base-Backbone interact. energy: -0.000
local terms energy: -778.835314
where:
bonds (distance) C4'-P energy: -190.788
bonds (distance) P-C4' energy: -177.617
flat angles C4'-P-C4' energy: -148.366
flat angles P-C4'-P energy: -168.302
tors. eta vs tors. theta energy: -93.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -811.846387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.846387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.846387 (E_RNA)
where:
Base-Base interactions energy: -37.153
where: short stacking energy: -37.153
Base-Backbone interact. energy: -0.000
local terms energy: -774.692771
where:
bonds (distance) C4'-P energy: -189.215
bonds (distance) P-C4' energy: -174.381
flat angles C4'-P-C4' energy: -149.773
flat angles P-C4'-P energy: -168.204
tors. eta vs tors. theta energy: -93.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -988.113917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.113917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.113917 (E_RNA)
where:
Base-Base interactions energy: -409.197
where: short stacking energy: -407.339
Base-Backbone interact. energy: -0.121
local terms energy: -578.795355
where:
bonds (distance) C4'-P energy: -132.240
bonds (distance) P-C4' energy: -128.861
flat angles C4'-P-C4' energy: -121.632
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -114.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -897.654386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.654386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.654386 (E_RNA)
where:
Base-Base interactions energy: -364.585
where: short stacking energy: -347.304
Base-Backbone interact. energy: 2.199
local terms energy: -535.268413
where:
bonds (distance) C4'-P energy: -124.706
bonds (distance) P-C4' energy: -136.049
flat angles C4'-P-C4' energy: -123.858
flat angles P-C4'-P energy: -72.012
tors. eta vs tors. theta energy: -78.644
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: 3
Temperature: 1.000000
Total energy: -845.158924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.158924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.158924 (E_RNA)
where:
Base-Base interactions energy: -314.254
where: short stacking energy: -303.052
Base-Backbone interact. energy: 2.495
local terms energy: -533.399192
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -133.093
flat angles C4'-P-C4' energy: -121.496
flat angles P-C4'-P energy: -88.293
tors. eta vs tors. theta energy: -66.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -811.164228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.164228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.164228 (E_RNA)
where:
Base-Base interactions energy: -325.803
where: short stacking energy: -304.181
Base-Backbone interact. energy: -0.041
local terms energy: -485.320093
where:
bonds (distance) C4'-P energy: -118.193
bonds (distance) P-C4' energy: -116.235
flat angles C4'-P-C4' energy: -108.354
flat angles P-C4'-P energy: -79.765
tors. eta vs tors. theta energy: -62.772
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -687.174197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.174197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.174197 (E_RNA)
where:
Base-Base interactions energy: -245.830
where: short stacking energy: -238.407
Base-Backbone interact. energy: -0.430
local terms energy: -440.914112
where:
bonds (distance) C4'-P energy: -116.373
bonds (distance) P-C4' energy: -124.557
flat angles C4'-P-C4' energy: -108.353
flat angles P-C4'-P energy: -66.503
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -637.413162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.413162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.413162 (E_RNA)
where:
Base-Base interactions energy: -208.774
where: short stacking energy: -198.826
Base-Backbone interact. energy: -0.318
local terms energy: -428.322113
where:
bonds (distance) C4'-P energy: -107.711
bonds (distance) P-C4' energy: -120.741
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -70.308
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -643.516078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.516078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.516078 (E_RNA)
where:
Base-Base interactions energy: -223.398
where: short stacking energy: -188.444
Base-Backbone interact. energy: 2.844
local terms energy: -422.961964
where:
bonds (distance) C4'-P energy: -114.703
bonds (distance) P-C4' energy: -127.824
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -58.045
tors. eta vs tors. theta energy: -25.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -521.972021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.972021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.972021 (E_RNA)
where:
Base-Base interactions energy: -177.945
where: short stacking energy: -171.201
Base-Backbone interact. energy: 3.936
local terms energy: -347.962910
where:
bonds (distance) C4'-P energy: -102.939
bonds (distance) P-C4' energy: -115.765
flat angles C4'-P-C4' energy: -79.620
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: 11.656
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -472.197852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.197852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.197852 (E_RNA)
where:
Base-Base interactions energy: -158.318
where: short stacking energy: -145.990
Base-Backbone interact. energy: -0.025
local terms energy: -313.855618
where:
bonds (distance) C4'-P energy: -89.219
bonds (distance) P-C4' energy: -109.970
flat angles C4'-P-C4' energy: -88.569
flat angles P-C4'-P energy: -51.225
tors. eta vs tors. theta energy: 25.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -472.173932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.173932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.173932 (E_RNA)
where:
Base-Base interactions energy: -158.375
where: short stacking energy: -123.465
Base-Backbone interact. energy: -1.086
local terms energy: -312.713281
where:
bonds (distance) C4'-P energy: -93.945
bonds (distance) P-C4' energy: -99.031
flat angles C4'-P-C4' energy: -79.148
flat angles P-C4'-P energy: -57.329
tors. eta vs tors. theta energy: 16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -984.493134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.493134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.493134 (E_RNA)
where:
Base-Base interactions energy: -416.811
where: short stacking energy: -362.622
Base-Backbone interact. energy: -0.315
local terms energy: -567.367794
where:
bonds (distance) C4'-P energy: -137.215
bonds (distance) P-C4' energy: -133.706
flat angles C4'-P-C4' energy: -118.609
flat angles P-C4'-P energy: -86.998
tors. eta vs tors. theta energy: -90.841
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -910.347665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.347665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.347665 (E_RNA)
where:
Base-Base interactions energy: -377.567
where: short stacking energy: -357.760
Base-Backbone interact. energy: -1.863
local terms energy: -530.917577
where:
bonds (distance) C4'-P energy: -124.694
bonds (distance) P-C4' energy: -115.898
flat angles C4'-P-C4' energy: -130.705
flat angles P-C4'-P energy: -79.845
tors. eta vs tors. theta energy: -79.775
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -890.976767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.976767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.976767 (E_RNA)
where:
Base-Base interactions energy: -401.683
where: short stacking energy: -299.812
Base-Backbone interact. energy: 1.715
local terms energy: -491.008134
where:
bonds (distance) C4'-P energy: -116.272
bonds (distance) P-C4' energy: -119.910
flat angles C4'-P-C4' energy: -125.552
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: -54.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -749.189919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.189919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.189919 (E_RNA)
where:
Base-Base interactions energy: -276.585
where: short stacking energy: -263.509
Base-Backbone interact. energy: 1.838
local terms energy: -474.442985
where:
bonds (distance) C4'-P energy: -111.780
bonds (distance) P-C4' energy: -138.843
flat angles C4'-P-C4' energy: -112.279
flat angles P-C4'-P energy: -75.936
tors. eta vs tors. theta energy: -35.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -682.348823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.348823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.348823 (E_RNA)
where:
Base-Base interactions energy: -248.875
where: short stacking energy: -211.241
Base-Backbone interact. energy: 1.744
local terms energy: -435.217781
where:
bonds (distance) C4'-P energy: -128.507
bonds (distance) P-C4' energy: -108.588
flat angles C4'-P-C4' energy: -114.179
flat angles P-C4'-P energy: -70.738
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -647.475343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.475343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.475343 (E_RNA)
where:
Base-Base interactions energy: -220.974
where: short stacking energy: -202.330
Base-Backbone interact. energy: -1.786
local terms energy: -424.715437
where:
bonds (distance) C4'-P energy: -122.468
bonds (distance) P-C4' energy: -110.465
flat angles C4'-P-C4' energy: -98.187
flat angles P-C4'-P energy: -71.396
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -614.292747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.292747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.292747 (E_RNA)
where:
Base-Base interactions energy: -213.795
where: short stacking energy: -184.735
Base-Backbone interact. energy: -2.393
local terms energy: -398.104231
where:
bonds (distance) C4'-P energy: -112.777
bonds (distance) P-C4' energy: -109.823
flat angles C4'-P-C4' energy: -86.185
flat angles P-C4'-P energy: -75.491
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -517.751133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.751133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.751133 (E_RNA)
where:
Base-Base interactions energy: -184.869
where: short stacking energy: -142.045
Base-Backbone interact. energy: 7.429
local terms energy: -340.310634
where:
bonds (distance) C4'-P energy: -119.572
bonds (distance) P-C4' energy: -92.836
flat angles C4'-P-C4' energy: -82.361
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: 11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -488.744815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.744815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.744815 (E_RNA)
where:
Base-Base interactions energy: -135.655
where: short stacking energy: -110.508
Base-Backbone interact. energy: -2.108
local terms energy: -350.982151
where:
bonds (distance) C4'-P energy: -93.686
bonds (distance) P-C4' energy: -111.225
flat angles C4'-P-C4' energy: -108.315
flat angles P-C4'-P energy: -52.690
tors. eta vs tors. theta energy: 14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -467.093594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.093594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.093594 (E_RNA)
where:
Base-Base interactions energy: -128.980
where: short stacking energy: -108.725
Base-Backbone interact. energy: 1.030
local terms energy: -339.143262
where:
bonds (distance) C4'-P energy: -99.088
bonds (distance) P-C4' energy: -108.407
flat angles C4'-P-C4' energy: -95.497
flat angles P-C4'-P energy: -48.944
tors. eta vs tors. theta energy: 12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1077.574743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.574743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.574743 (E_RNA)
where:
Base-Base interactions energy: -492.463
where: short stacking energy: -420.918
Base-Backbone interact. energy: -1.037
local terms energy: -584.073909
where:
bonds (distance) C4'-P energy: -135.628
bonds (distance) P-C4' energy: -128.591
flat angles C4'-P-C4' energy: -114.857
flat angles P-C4'-P energy: -87.490
tors. eta vs tors. theta energy: -117.508
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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1049.838853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.838853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.838853 (E_RNA)
where:
Base-Base interactions energy: -502.954
where: short stacking energy: -371.986
Base-Backbone interact. energy: -2.035
local terms energy: -544.850162
where:
bonds (distance) C4'-P energy: -125.240
bonds (distance) P-C4' energy: -125.108
flat angles C4'-P-C4' energy: -125.960
flat angles P-C4'-P energy: -83.880
tors. eta vs tors. theta energy: -84.661
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: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -846.653107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.653107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.653107 (E_RNA)
where:
Base-Base interactions energy: -332.388
where: short stacking energy: -311.695
Base-Backbone interact. energy: -0.765
local terms energy: -513.499874
where:
bonds (distance) C4'-P energy: -123.141
bonds (distance) P-C4' energy: -129.076
flat angles C4'-P-C4' energy: -120.600
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -71.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -790.549291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.549291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.549291 (E_RNA)
where:
Base-Base interactions energy: -316.466
where: short stacking energy: -273.048
Base-Backbone interact. energy: 0.264
local terms energy: -474.346853
where:
bonds (distance) C4'-P energy: -110.499
bonds (distance) P-C4' energy: -127.942
flat angles C4'-P-C4' energy: -123.285
flat angles P-C4'-P energy: -70.198
tors. eta vs tors. theta energy: -42.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -729.165559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.165559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.165559 (E_RNA)
where:
Base-Base interactions energy: -280.935
where: short stacking energy: -198.850
Base-Backbone interact. energy: -1.034
local terms energy: -447.197204
where:
bonds (distance) C4'-P energy: -126.562
bonds (distance) P-C4' energy: -128.392
flat angles C4'-P-C4' energy: -104.936
flat angles P-C4'-P energy: -71.541
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -616.082323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.082323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.082323 (E_RNA)
where:
Base-Base interactions energy: -227.702
where: short stacking energy: -209.916
Base-Backbone interact. energy: 1.313
local terms energy: -389.692519
where:
bonds (distance) C4'-P energy: -97.239
bonds (distance) P-C4' energy: -113.201
flat angles C4'-P-C4' energy: -111.712
flat angles P-C4'-P energy: -58.273
tors. eta vs tors. theta energy: -9.269
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: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -598.671047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.671047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.671047 (E_RNA)
where:
Base-Base interactions energy: -212.277
where: short stacking energy: -176.454
Base-Backbone interact. energy: 3.460
local terms energy: -389.854670
where:
bonds (distance) C4'-P energy: -117.381
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -99.322
flat angles P-C4'-P energy: -62.989
tors. eta vs tors. theta energy: -6.231
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: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -546.797208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.797208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.797208 (E_RNA)
where:
Base-Base interactions energy: -179.468
where: short stacking energy: -159.136
Base-Backbone interact. energy: -2.162
local terms energy: -365.167544
where:
bonds (distance) C4'-P energy: -102.636
bonds (distance) P-C4' energy: -112.468
flat angles C4'-P-C4' energy: -100.251
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -505.940311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.940311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.940311 (E_RNA)
where:
Base-Base interactions energy: -186.871
where: short stacking energy: -134.786
Base-Backbone interact. energy: 3.995
local terms energy: -323.064340
where:
bonds (distance) C4'-P energy: -110.390
bonds (distance) P-C4' energy: -110.605
flat angles C4'-P-C4' energy: -71.918
flat angles P-C4'-P energy: -47.520
tors. eta vs tors. theta energy: 17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -438.976610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.976610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.976610 (E_RNA)
where:
Base-Base interactions energy: -131.792
where: short stacking energy: -110.624
Base-Backbone interact. energy: 0.839
local terms energy: -308.022697
where:
bonds (distance) C4'-P energy: -93.980
bonds (distance) P-C4' energy: -96.739
flat angles C4'-P-C4' energy: -100.420
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: 35.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1158.328400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.328400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.328400 (E_RNA)
where:
Base-Base interactions energy: -615.981
where: short stacking energy: -422.629
Base-Backbone interact. energy: -1.217
local terms energy: -541.130715
where:
bonds (distance) C4'-P energy: -127.654
bonds (distance) P-C4' energy: -121.293
flat angles C4'-P-C4' energy: -130.058
flat angles P-C4'-P energy: -72.095
tors. eta vs tors. theta energy: -90.031
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1054.396474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.396474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.396474 (E_RNA)
where:
Base-Base interactions energy: -481.083
where: short stacking energy: -372.225
Base-Backbone interact. energy: -0.589
local terms energy: -572.724666
where:
bonds (distance) C4'-P energy: -122.223
bonds (distance) P-C4' energy: -128.516
flat angles C4'-P-C4' energy: -132.818
flat angles P-C4'-P energy: -80.162
tors. eta vs tors. theta energy: -109.006
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: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -920.430658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.430658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.430658 (E_RNA)
where:
Base-Base interactions energy: -426.127
where: short stacking energy: -305.931
Base-Backbone interact. energy: -0.751
local terms energy: -493.552918
where:
bonds (distance) C4'-P energy: -111.331
bonds (distance) P-C4' energy: -129.248
flat angles C4'-P-C4' energy: -117.982
flat angles P-C4'-P energy: -75.309
tors. eta vs tors. theta energy: -59.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -835.179393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.179393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.179393 (E_RNA)
where:
Base-Base interactions energy: -346.125
where: short stacking energy: -273.501
Base-Backbone interact. energy: 0.725
local terms energy: -489.778986
where:
bonds (distance) C4'-P energy: -119.618
bonds (distance) P-C4' energy: -114.217
flat angles C4'-P-C4' energy: -119.984
flat angles P-C4'-P energy: -76.392
tors. eta vs tors. theta energy: -59.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -826.304163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.304163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.304163 (E_RNA)
where:
Base-Base interactions energy: -382.367
where: short stacking energy: -276.589
Base-Backbone interact. energy: 5.052
local terms energy: -448.989083
where:
bonds (distance) C4'-P energy: -111.637
bonds (distance) P-C4' energy: -117.042
flat angles C4'-P-C4' energy: -112.652
flat angles P-C4'-P energy: -66.703
tors. eta vs tors. theta energy: -40.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -653.280456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.280456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.280456 (E_RNA)
where:
Base-Base interactions energy: -279.598
where: short stacking energy: -244.823
Base-Backbone interact. energy: 1.587
local terms energy: -375.269020
where:
bonds (distance) C4'-P energy: -97.684
bonds (distance) P-C4' energy: -117.943
flat angles C4'-P-C4' energy: -99.748
flat angles P-C4'-P energy: -50.742
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -559.207941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.207941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.207941 (E_RNA)
where:
Base-Base interactions energy: -183.099
where: short stacking energy: -147.975
Base-Backbone interact. energy: -0.308
local terms energy: -375.800375
where:
bonds (distance) C4'-P energy: -106.486
bonds (distance) P-C4' energy: -108.338
flat angles C4'-P-C4' energy: -98.240
flat angles P-C4'-P energy: -70.918
tors. eta vs tors. theta energy: 8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -536.166443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.166443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.166443 (E_RNA)
where:
Base-Base interactions energy: -167.587
where: short stacking energy: -146.528
Base-Backbone interact. energy: -2.779
local terms energy: -365.800809
where:
bonds (distance) C4'-P energy: -95.748
bonds (distance) P-C4' energy: -112.142
flat angles C4'-P-C4' energy: -104.184
flat angles P-C4'-P energy: -72.016
tors. eta vs tors. theta energy: 18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -542.183973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.183973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.183973 (E_RNA)
where:
Base-Base interactions energy: -201.243
where: short stacking energy: -137.025
Base-Backbone interact. energy: 3.585
local terms energy: -344.526225
where:
bonds (distance) C4'-P energy: -121.509
bonds (distance) P-C4' energy: -106.339
flat angles C4'-P-C4' energy: -101.312
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: 27.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -476.410842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.410842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.410842 (E_RNA)
where:
Base-Base interactions energy: -135.016
where: short stacking energy: -112.553
Base-Backbone interact. energy: 3.400
local terms energy: -344.795637
where:
bonds (distance) C4'-P energy: -105.291
bonds (distance) P-C4' energy: -130.447
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -60.753
tors. eta vs tors. theta energy: 26.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1190.973610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.973610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.973610 (E_RNA)
where:
Base-Base interactions energy: -615.410
where: short stacking energy: -417.811
Base-Backbone interact. energy: -2.962
local terms energy: -572.601430
where:
bonds (distance) C4'-P energy: -114.562
bonds (distance) P-C4' energy: -129.285
flat angles C4'-P-C4' energy: -132.272
flat angles P-C4'-P energy: -88.004
tors. eta vs tors. theta energy: -108.478
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: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1086.515178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.515178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.515178 (E_RNA)
where:
Base-Base interactions energy: -525.472
where: short stacking energy: -393.627
Base-Backbone interact. energy: 2.245
local terms energy: -563.287730
where:
bonds (distance) C4'-P energy: -124.032
bonds (distance) P-C4' energy: -119.004
flat angles C4'-P-C4' energy: -136.463
flat angles P-C4'-P energy: -80.147
tors. eta vs tors. theta energy: -103.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -910.507065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.507065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.507065 (E_RNA)
where:
Base-Base interactions energy: -411.436
where: short stacking energy: -275.896
Base-Backbone interact. energy: 3.150
local terms energy: -502.220529
where:
bonds (distance) C4'-P energy: -116.456
bonds (distance) P-C4' energy: -134.315
flat angles C4'-P-C4' energy: -113.260
flat angles P-C4'-P energy: -80.021
tors. eta vs tors. theta energy: -58.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -835.798260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.798260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.798260 (E_RNA)
where:
Base-Base interactions energy: -379.139
where: short stacking energy: -274.520
Base-Backbone interact. energy: 0.709
local terms energy: -457.368505
where:
bonds (distance) C4'-P energy: -119.061
bonds (distance) P-C4' energy: -109.801
flat angles C4'-P-C4' energy: -105.020
flat angles P-C4'-P energy: -75.116
tors. eta vs tors. theta energy: -48.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -692.960610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.960610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.960610 (E_RNA)
where:
Base-Base interactions energy: -239.724
where: short stacking energy: -224.377
Base-Backbone interact. energy: 3.272
local terms energy: -456.508527
where:
bonds (distance) C4'-P energy: -108.365
bonds (distance) P-C4' energy: -121.814
flat angles C4'-P-C4' energy: -129.923
flat angles P-C4'-P energy: -54.865
tors. eta vs tors. theta energy: -41.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -618.916172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.916172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.916172 (E_RNA)
where:
Base-Base interactions energy: -239.917
where: short stacking energy: -201.900
Base-Backbone interact. energy: -2.524
local terms energy: -376.475497
where:
bonds (distance) C4'-P energy: -119.851
bonds (distance) P-C4' energy: -104.759
flat angles C4'-P-C4' energy: -92.245
flat angles P-C4'-P energy: -74.809
tors. eta vs tors. theta energy: 15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -592.127333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.127333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.127333 (E_RNA)
where:
Base-Base interactions energy: -219.262
where: short stacking energy: -173.937
Base-Backbone interact. energy: 1.884
local terms energy: -374.748504
where:
bonds (distance) C4'-P energy: -97.713
bonds (distance) P-C4' energy: -106.846
flat angles C4'-P-C4' energy: -99.531
flat angles P-C4'-P energy: -48.055
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -605.112582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.112582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.112582 (E_RNA)
where:
Base-Base interactions energy: -229.087
where: short stacking energy: -165.184
Base-Backbone interact. energy: 0.826
local terms energy: -376.851222
where:
bonds (distance) C4'-P energy: -109.348
bonds (distance) P-C4' energy: -122.997
flat angles C4'-P-C4' energy: -88.660
flat angles P-C4'-P energy: -59.616
tors. eta vs tors. theta energy: 3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -474.120599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.120599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.120599 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -123.963
Base-Backbone interact. energy: 4.331
local terms energy: -335.668992
where:
bonds (distance) C4'-P energy: -96.338
bonds (distance) P-C4' energy: -108.384
flat angles C4'-P-C4' energy: -90.546
flat angles P-C4'-P energy: -45.795
tors. eta vs tors. theta energy: 5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -455.595221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.595221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.595221 (E_RNA)
where:
Base-Base interactions energy: -135.878
where: short stacking energy: -117.687
Base-Backbone interact. energy: 2.124
local terms energy: -321.841661
where:
bonds (distance) C4'-P energy: -96.581
bonds (distance) P-C4' energy: -111.531
flat angles C4'-P-C4' energy: -89.613
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: 23.511
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: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1218.911050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.911050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.911050 (E_RNA)
where:
Base-Base interactions energy: -624.923
where: short stacking energy: -451.674
Base-Backbone interact. energy: -1.749
local terms energy: -592.239085
where:
bonds (distance) C4'-P energy: -127.595
bonds (distance) P-C4' energy: -120.403
flat angles C4'-P-C4' energy: -140.810
flat angles P-C4'-P energy: -88.956
tors. eta vs tors. theta energy: -114.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1083.276383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.276383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.276383 (E_RNA)
where:
Base-Base interactions energy: -556.544
where: short stacking energy: -359.136
Base-Backbone interact. energy: 0.322
local terms energy: -527.053851
where:
bonds (distance) C4'-P energy: -111.077
bonds (distance) P-C4' energy: -132.639
flat angles C4'-P-C4' energy: -129.364
flat angles P-C4'-P energy: -75.798
tors. eta vs tors. theta energy: -78.176
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: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1044.890612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.890612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.890612 (E_RNA)
where:
Base-Base interactions energy: -540.887
where: short stacking energy: -301.763
Base-Backbone interact. energy: -3.533
local terms energy: -500.470343
where:
bonds (distance) C4'-P energy: -113.310
bonds (distance) P-C4' energy: -125.308
flat angles C4'-P-C4' energy: -125.624
flat angles P-C4'-P energy: -76.437
tors. eta vs tors. theta energy: -59.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -885.455381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.455381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.455381 (E_RNA)
where:
Base-Base interactions energy: -413.505
where: short stacking energy: -273.818
Base-Backbone interact. energy: 0.604
local terms energy: -472.553690
where:
bonds (distance) C4'-P energy: -132.964
bonds (distance) P-C4' energy: -114.457
flat angles C4'-P-C4' energy: -98.041
flat angles P-C4'-P energy: -90.454
tors. eta vs tors. theta energy: -36.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -689.986940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.986940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.986940 (E_RNA)
where:
Base-Base interactions energy: -285.886
where: short stacking energy: -234.858
Base-Backbone interact. energy: -1.082
local terms energy: -403.018623
where:
bonds (distance) C4'-P energy: -106.708
bonds (distance) P-C4' energy: -127.663
flat angles C4'-P-C4' energy: -99.393
flat angles P-C4'-P energy: -54.519
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -666.340144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.340144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.340144 (E_RNA)
where:
Base-Base interactions energy: -260.923
where: short stacking energy: -202.625
Base-Backbone interact. energy: -2.783
local terms energy: -402.634315
where:
bonds (distance) C4'-P energy: -129.479
bonds (distance) P-C4' energy: -124.365
flat angles C4'-P-C4' energy: -80.279
flat angles P-C4'-P energy: -66.647
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -707.057293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.057293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.057293 (E_RNA)
where:
Base-Base interactions energy: -337.908
where: short stacking energy: -201.056
Base-Backbone interact. energy: -0.744
local terms energy: -368.405832
where:
bonds (distance) C4'-P energy: -105.696
bonds (distance) P-C4' energy: -112.962
flat angles C4'-P-C4' energy: -90.261
flat angles P-C4'-P energy: -57.555
tors. eta vs tors. theta energy: -1.932
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: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -516.996676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.996676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.996676 (E_RNA)
where:
Base-Base interactions energy: -179.102
where: short stacking energy: -137.620
Base-Backbone interact. energy: -1.168
local terms energy: -336.726468
where:
bonds (distance) C4'-P energy: -81.886
bonds (distance) P-C4' energy: -117.011
flat angles C4'-P-C4' energy: -91.373
flat angles P-C4'-P energy: -63.414
tors. eta vs tors. theta energy: 16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -485.770248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.770248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.770248 (E_RNA)
where:
Base-Base interactions energy: -141.048
where: short stacking energy: -127.274
Base-Backbone interact. energy: 5.335
local terms energy: -350.056800
where:
bonds (distance) C4'-P energy: -97.731
bonds (distance) P-C4' energy: -117.495
flat angles C4'-P-C4' energy: -87.216
flat angles P-C4'-P energy: -66.527
tors. eta vs tors. theta energy: 18.912
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: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -436.830337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.830337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.830337 (E_RNA)
where:
Base-Base interactions energy: -118.512
where: short stacking energy: -101.383
Base-Backbone interact. energy: 6.656
local terms energy: -324.973595
where:
bonds (distance) C4'-P energy: -78.279
bonds (distance) P-C4' energy: -120.870
flat angles C4'-P-C4' energy: -95.894
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: 23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1233.865148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.865148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.865148 (E_RNA)
where:
Base-Base interactions energy: -658.383
where: short stacking energy: -440.657
Base-Backbone interact. energy: -1.986
local terms energy: -573.495364
where:
bonds (distance) C4'-P energy: -121.029
bonds (distance) P-C4' energy: -119.098
flat angles C4'-P-C4' energy: -134.087
flat angles P-C4'-P energy: -89.137
tors. eta vs tors. theta energy: -110.144
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1158.134753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.134753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.134753 (E_RNA)
where:
Base-Base interactions energy: -611.077
where: short stacking energy: -355.277
Base-Backbone interact. energy: -0.957
local terms energy: -546.100973
where:
bonds (distance) C4'-P energy: -113.201
bonds (distance) P-C4' energy: -125.019
flat angles C4'-P-C4' energy: -137.097
flat angles P-C4'-P energy: -86.479
tors. eta vs tors. theta energy: -84.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1107.695354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.695354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.695354 (E_RNA)
where:
Base-Base interactions energy: -581.520
where: short stacking energy: -324.269
Base-Backbone interact. energy: 1.585
local terms energy: -527.760487
where:
bonds (distance) C4'-P energy: -133.726
bonds (distance) P-C4' energy: -120.093
flat angles C4'-P-C4' energy: -128.154
flat angles P-C4'-P energy: -68.548
tors. eta vs tors. theta energy: -77.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -941.526744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.526744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.526744 (E_RNA)
where:
Base-Base interactions energy: -449.158
where: short stacking energy: -332.253
Base-Backbone interact. energy: -1.653
local terms energy: -490.715956
where:
bonds (distance) C4'-P energy: -108.537
bonds (distance) P-C4' energy: -117.615
flat angles C4'-P-C4' energy: -131.253
flat angles P-C4'-P energy: -64.993
tors. eta vs tors. theta energy: -68.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -712.969432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.969432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.969432 (E_RNA)
where:
Base-Base interactions energy: -273.525
where: short stacking energy: -217.831
Base-Backbone interact. energy: 2.116
local terms energy: -441.560057
where:
bonds (distance) C4'-P energy: -103.716
bonds (distance) P-C4' energy: -121.604
flat angles C4'-P-C4' energy: -117.322
flat angles P-C4'-P energy: -64.277
tors. eta vs tors. theta energy: -34.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -666.385648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.385648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.385648 (E_RNA)
where:
Base-Base interactions energy: -253.369
where: short stacking energy: -221.313
Base-Backbone interact. energy: 2.150
local terms energy: -415.167449
where:
bonds (distance) C4'-P energy: -111.249
bonds (distance) P-C4' energy: -99.203
flat angles C4'-P-C4' energy: -100.877
flat angles P-C4'-P energy: -67.381
tors. eta vs tors. theta energy: -36.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -720.145102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.145102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.145102 (E_RNA)
where:
Base-Base interactions energy: -296.643
where: short stacking energy: -198.065
Base-Backbone interact. energy: -0.565
local terms energy: -422.937098
where:
bonds (distance) C4'-P energy: -111.289
bonds (distance) P-C4' energy: -108.268
flat angles C4'-P-C4' energy: -99.200
flat angles P-C4'-P energy: -78.852
tors. eta vs tors. theta energy: -25.327
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -513.686657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.686657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.686657 (E_RNA)
where:
Base-Base interactions energy: -158.630
where: short stacking energy: -135.697
Base-Backbone interact. energy: 2.663
local terms energy: -357.719231
where:
bonds (distance) C4'-P energy: -103.300
bonds (distance) P-C4' energy: -120.505
flat angles C4'-P-C4' energy: -91.215
flat angles P-C4'-P energy: -59.048
tors. eta vs tors. theta energy: 16.349
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: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -519.592584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.592584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.592584 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -129.346
Base-Backbone interact. energy: -0.287
local terms energy: -366.511590
where:
bonds (distance) C4'-P energy: -105.276
bonds (distance) P-C4' energy: -113.180
flat angles C4'-P-C4' energy: -105.219
flat angles P-C4'-P energy: -57.691
tors. eta vs tors. theta energy: 14.855
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: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -432.025076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.025076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.025076 (E_RNA)
where:
Base-Base interactions energy: -129.800
where: short stacking energy: -115.528
Base-Backbone interact. energy: 0.167
local terms energy: -302.392068
where:
bonds (distance) C4'-P energy: -95.759
bonds (distance) P-C4' energy: -80.510
flat angles C4'-P-C4' energy: -100.417
flat angles P-C4'-P energy: -53.113
tors. eta vs tors. theta energy: 27.406
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: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1235.371247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.371247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.371247 (E_RNA)
where:
Base-Base interactions energy: -690.664
where: short stacking energy: -413.126
Base-Backbone interact. energy: -2.292
local terms energy: -542.415488
where:
bonds (distance) C4'-P energy: -119.028
bonds (distance) P-C4' energy: -131.906
flat angles C4'-P-C4' energy: -113.955
flat angles P-C4'-P energy: -75.908
tors. eta vs tors. theta energy: -101.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1140.397154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.397154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.397154 (E_RNA)
where:
Base-Base interactions energy: -592.149
where: short stacking energy: -359.066
Base-Backbone interact. energy: -2.662
local terms energy: -545.586651
where:
bonds (distance) C4'-P energy: -109.274
bonds (distance) P-C4' energy: -130.600
flat angles C4'-P-C4' energy: -128.527
flat angles P-C4'-P energy: -88.386
tors. eta vs tors. theta energy: -88.800
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: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1229.134630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.134630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.134630 (E_RNA)
where:
Base-Base interactions energy: -700.843
where: short stacking energy: -361.570
Base-Backbone interact. energy: -4.973
local terms energy: -523.319006
where:
bonds (distance) C4'-P energy: -112.411
bonds (distance) P-C4' energy: -129.225
flat angles C4'-P-C4' energy: -116.137
flat angles P-C4'-P energy: -90.477
tors. eta vs tors. theta energy: -75.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -918.689537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.689537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.689537 (E_RNA)
where:
Base-Base interactions energy: -426.737
where: short stacking energy: -269.289
Base-Backbone interact. energy: 0.869
local terms energy: -492.821704
where:
bonds (distance) C4'-P energy: -114.319
bonds (distance) P-C4' energy: -128.908
flat angles C4'-P-C4' energy: -122.293
flat angles P-C4'-P energy: -83.040
tors. eta vs tors. theta energy: -44.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -767.653581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.653581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.653581 (E_RNA)
where:
Base-Base interactions energy: -332.384
where: short stacking energy: -229.213
Base-Backbone interact. energy: 0.062
local terms energy: -435.331906
where:
bonds (distance) C4'-P energy: -114.695
bonds (distance) P-C4' energy: -116.427
flat angles C4'-P-C4' energy: -101.714
flat angles P-C4'-P energy: -67.219
tors. eta vs tors. theta energy: -35.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -628.133606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.133606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.133606 (E_RNA)
where:
Base-Base interactions energy: -234.588
where: short stacking energy: -174.438
Base-Backbone interact. energy: 2.049
local terms energy: -395.594904
where:
bonds (distance) C4'-P energy: -112.976
bonds (distance) P-C4' energy: -119.653
flat angles C4'-P-C4' energy: -112.354
flat angles P-C4'-P energy: -53.291
tors. eta vs tors. theta energy: 2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -721.985291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.985291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.985291 (E_RNA)
where:
Base-Base interactions energy: -329.588
where: short stacking energy: -236.121
Base-Backbone interact. energy: -1.981
local terms energy: -390.416063
where:
bonds (distance) C4'-P energy: -108.328
bonds (distance) P-C4' energy: -96.418
flat angles C4'-P-C4' energy: -106.309
flat angles P-C4'-P energy: -60.078
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -531.477039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.477039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.477039 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -114.610
Base-Backbone interact. energy: -0.990
local terms energy: -383.752900
where:
bonds (distance) C4'-P energy: -117.377
bonds (distance) P-C4' energy: -114.273
flat angles C4'-P-C4' energy: -104.015
flat angles P-C4'-P energy: -69.187
tors. eta vs tors. theta energy: 21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -510.596306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.596306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.596306 (E_RNA)
where:
Base-Base interactions energy: -164.518
where: short stacking energy: -146.675
Base-Backbone interact. energy: 5.312
local terms energy: -351.389629
where:
bonds (distance) C4'-P energy: -105.819
bonds (distance) P-C4' energy: -108.174
flat angles C4'-P-C4' energy: -102.400
flat angles P-C4'-P energy: -55.915
tors. eta vs tors. theta energy: 20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -464.797965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.797965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.797965 (E_RNA)
where:
Base-Base interactions energy: -124.493
where: short stacking energy: -89.063
Base-Backbone interact. energy: -1.200
local terms energy: -339.105263
where:
bonds (distance) C4'-P energy: -103.693
bonds (distance) P-C4' energy: -126.827
flat angles C4'-P-C4' energy: -94.083
flat angles P-C4'-P energy: -37.703
tors. eta vs tors. theta energy: 23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1269.185076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.185076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.185076 (E_RNA)
where:
Base-Base interactions energy: -707.833
where: short stacking energy: -448.942
Base-Backbone interact. energy: 2.209
local terms energy: -563.560957
where:
bonds (distance) C4'-P energy: -124.684
bonds (distance) P-C4' energy: -126.222
flat angles C4'-P-C4' energy: -122.669
flat angles P-C4'-P energy: -82.019
tors. eta vs tors. theta energy: -107.966
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1176.326187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.326187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.326187 (E_RNA)
where:
Base-Base interactions energy: -645.276
where: short stacking energy: -390.660
Base-Backbone interact. energy: -1.966
local terms energy: -529.083407
where:
bonds (distance) C4'-P energy: -111.135
bonds (distance) P-C4' energy: -123.928
flat angles C4'-P-C4' energy: -103.205
flat angles P-C4'-P energy: -86.786
tors. eta vs tors. theta energy: -104.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1319.248580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.248580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.248580 (E_RNA)
where:
Base-Base interactions energy: -802.630
where: short stacking energy: -364.168
Base-Backbone interact. energy: -2.056
local terms energy: -514.562530
where:
bonds (distance) C4'-P energy: -116.892
bonds (distance) P-C4' energy: -123.160
flat angles C4'-P-C4' energy: -117.834
flat angles P-C4'-P energy: -69.358
tors. eta vs tors. theta energy: -87.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1059.323932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.323932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.323932 (E_RNA)
where:
Base-Base interactions energy: -553.150
where: short stacking energy: -317.981
Base-Backbone interact. energy: -2.378
local terms energy: -503.796265
where:
bonds (distance) C4'-P energy: -122.864
bonds (distance) P-C4' energy: -111.716
flat angles C4'-P-C4' energy: -114.474
flat angles P-C4'-P energy: -79.571
tors. eta vs tors. theta energy: -75.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -823.504683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.504683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.504683 (E_RNA)
where:
Base-Base interactions energy: -392.115
where: short stacking energy: -254.101
Base-Backbone interact. energy: 0.078
local terms energy: -431.468305
where:
bonds (distance) C4'-P energy: -107.879
bonds (distance) P-C4' energy: -120.021
flat angles C4'-P-C4' energy: -107.164
flat angles P-C4'-P energy: -48.541
tors. eta vs tors. theta energy: -47.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -743.132346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.132346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.132346 (E_RNA)
where:
Base-Base interactions energy: -312.477
where: short stacking energy: -201.585
Base-Backbone interact. energy: -0.175
local terms energy: -430.479897
where:
bonds (distance) C4'-P energy: -108.733
bonds (distance) P-C4' energy: -121.231
flat angles C4'-P-C4' energy: -104.760
flat angles P-C4'-P energy: -75.566
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -617.487667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.487667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.487667 (E_RNA)
where:
Base-Base interactions energy: -221.325
where: short stacking energy: -188.347
Base-Backbone interact. energy: 0.641
local terms energy: -396.803235
where:
bonds (distance) C4'-P energy: -99.039
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -111.154
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -534.800803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.800803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.800803 (E_RNA)
where:
Base-Base interactions energy: -180.394
where: short stacking energy: -164.562
Base-Backbone interact. energy: 1.254
local terms energy: -355.661472
where:
bonds (distance) C4'-P energy: -90.549
bonds (distance) P-C4' energy: -115.796
flat angles C4'-P-C4' energy: -101.641
flat angles P-C4'-P energy: -56.487
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: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -502.129796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.129796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.129796 (E_RNA)
where:
Base-Base interactions energy: -154.432
where: short stacking energy: -128.538
Base-Backbone interact. energy: -2.485
local terms energy: -345.213009
where:
bonds (distance) C4'-P energy: -98.893
bonds (distance) P-C4' energy: -117.364
flat angles C4'-P-C4' energy: -92.282
flat angles P-C4'-P energy: -55.773
tors. eta vs tors. theta energy: 19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -437.779636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.779636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.779636 (E_RNA)
where:
Base-Base interactions energy: -134.769
where: short stacking energy: -124.133
Base-Backbone interact. energy: 2.924
local terms energy: -305.934562
where:
bonds (distance) C4'-P energy: -103.657
bonds (distance) P-C4' energy: -102.788
flat angles C4'-P-C4' energy: -82.972
flat angles P-C4'-P energy: -40.797
tors. eta vs tors. theta energy: 24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1372.877918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.877918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.877918 (E_RNA)
where:
Base-Base interactions energy: -787.245
where: short stacking energy: -485.081
Base-Backbone interact. energy: -2.001
local terms energy: -583.632378
where:
bonds (distance) C4'-P energy: -101.077
bonds (distance) P-C4' energy: -131.231
flat angles C4'-P-C4' energy: -138.435
flat angles P-C4'-P energy: -88.047
tors. eta vs tors. theta energy: -124.841
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: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1254.582042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.582042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.582042 (E_RNA)
where:
Base-Base interactions energy: -684.015
where: short stacking energy: -389.584
Base-Backbone interact. energy: -2.249
local terms energy: -568.318465
where:
bonds (distance) C4'-P energy: -129.152
bonds (distance) P-C4' energy: -130.680
flat angles C4'-P-C4' energy: -130.209
flat angles P-C4'-P energy: -90.487
tors. eta vs tors. theta energy: -87.792
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: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1367.761442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.761442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.761442 (E_RNA)
where:
Base-Base interactions energy: -820.206
where: short stacking energy: -416.740
Base-Backbone interact. energy: -2.482
local terms energy: -545.073651
where:
bonds (distance) C4'-P energy: -127.454
bonds (distance) P-C4' energy: -129.697
flat angles C4'-P-C4' energy: -126.522
flat angles P-C4'-P energy: -75.576
tors. eta vs tors. theta energy: -85.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1064.051586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.051586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.051586 (E_RNA)
where:
Base-Base interactions energy: -595.179
where: short stacking energy: -318.714
Base-Backbone interact. energy: -0.758
local terms energy: -468.114158
where:
bonds (distance) C4'-P energy: -117.568
bonds (distance) P-C4' energy: -124.899
flat angles C4'-P-C4' energy: -111.694
flat angles P-C4'-P energy: -57.850
tors. eta vs tors. theta energy: -56.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -892.387311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.387311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.387311 (E_RNA)
where:
Base-Base interactions energy: -425.035
where: short stacking energy: -273.099
Base-Backbone interact. energy: 1.153
local terms energy: -468.505436
where:
bonds (distance) C4'-P energy: -118.221
bonds (distance) P-C4' energy: -125.720
flat angles C4'-P-C4' energy: -126.247
flat angles P-C4'-P energy: -56.245
tors. eta vs tors. theta energy: -42.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -808.526861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.526861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.526861 (E_RNA)
where:
Base-Base interactions energy: -369.420
where: short stacking energy: -252.561
Base-Backbone interact. energy: 0.402
local terms energy: -439.508627
where:
bonds (distance) C4'-P energy: -111.925
bonds (distance) P-C4' energy: -120.021
flat angles C4'-P-C4' energy: -101.656
flat angles P-C4'-P energy: -71.490
tors. eta vs tors. theta energy: -34.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -632.432114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.432114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.432114 (E_RNA)
where:
Base-Base interactions energy: -258.802
where: short stacking energy: -180.441
Base-Backbone interact. energy: -0.661
local terms energy: -372.969780
where:
bonds (distance) C4'-P energy: -106.312
bonds (distance) P-C4' energy: -108.338
flat angles C4'-P-C4' energy: -92.366
flat angles P-C4'-P energy: -65.588
tors. eta vs tors. theta energy: -0.366
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -621.555974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.555974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.555974 (E_RNA)
where:
Base-Base interactions energy: -254.888
where: short stacking energy: -179.379
Base-Backbone interact. energy: -1.664
local terms energy: -365.004725
where:
bonds (distance) C4'-P energy: -102.744
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -83.263
flat angles P-C4'-P energy: -77.212
tors. eta vs tors. theta energy: -11.859
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: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -505.763719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.763719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.763719 (E_RNA)
where:
Base-Base interactions energy: -152.593
where: short stacking energy: -118.309
Base-Backbone interact. energy: -1.524
local terms energy: -351.646198
where:
bonds (distance) C4'-P energy: -122.928
bonds (distance) P-C4' energy: -115.159
flat angles C4'-P-C4' energy: -77.735
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: 24.774
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: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -441.106516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.106516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.106516 (E_RNA)
where:
Base-Base interactions energy: -135.751
where: short stacking energy: -123.138
Base-Backbone interact. energy: 1.286
local terms energy: -306.641676
where:
bonds (distance) C4'-P energy: -99.001
bonds (distance) P-C4' energy: -109.239
flat angles C4'-P-C4' energy: -84.369
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: 25.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1342.337006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.337006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.337006 (E_RNA)
where:
Base-Base interactions energy: -754.342
where: short stacking energy: -477.230
Base-Backbone interact. energy: -1.521
local terms energy: -586.473194
where:
bonds (distance) C4'-P energy: -118.324
bonds (distance) P-C4' energy: -135.004
flat angles C4'-P-C4' energy: -127.386
flat angles P-C4'-P energy: -78.492
tors. eta vs tors. theta energy: -127.267
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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1274.205862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.205862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.205862 (E_RNA)
where:
Base-Base interactions energy: -710.613
where: short stacking energy: -404.002
Base-Backbone interact. energy: -1.925
local terms energy: -561.667134
where:
bonds (distance) C4'-P energy: -99.444
bonds (distance) P-C4' energy: -134.531
flat angles C4'-P-C4' energy: -131.426
flat angles P-C4'-P energy: -89.552
tors. eta vs tors. theta energy: -106.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1294.135893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.135893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.135893 (E_RNA)
where:
Base-Base interactions energy: -798.436
where: short stacking energy: -367.941
Base-Backbone interact. energy: -1.042
local terms energy: -494.656996
where:
bonds (distance) C4'-P energy: -106.816
bonds (distance) P-C4' energy: -110.681
flat angles C4'-P-C4' energy: -122.677
flat angles P-C4'-P energy: -83.700
tors. eta vs tors. theta energy: -70.783
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: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1135.936811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.936811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.936811 (E_RNA)
where:
Base-Base interactions energy: -639.556
where: short stacking energy: -330.489
Base-Backbone interact. energy: -2.711
local terms energy: -493.670182
where:
bonds (distance) C4'-P energy: -122.756
bonds (distance) P-C4' energy: -109.871
flat angles C4'-P-C4' energy: -110.707
flat angles P-C4'-P energy: -69.389
tors. eta vs tors. theta energy: -80.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -867.455453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.455453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.455453 (E_RNA)
where:
Base-Base interactions energy: -410.068
where: short stacking energy: -236.269
Base-Backbone interact. energy: -1.174
local terms energy: -456.213434
where:
bonds (distance) C4'-P energy: -124.704
bonds (distance) P-C4' energy: -125.793
flat angles C4'-P-C4' energy: -112.045
flat angles P-C4'-P energy: -51.929
tors. eta vs tors. theta energy: -41.742
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: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -842.119310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.119310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.119310 (E_RNA)
where:
Base-Base interactions energy: -404.704
where: short stacking energy: -259.510
Base-Backbone interact. energy: 0.329
local terms energy: -437.744333
where:
bonds (distance) C4'-P energy: -97.042
bonds (distance) P-C4' energy: -108.896
flat angles C4'-P-C4' energy: -123.336
flat angles P-C4'-P energy: -72.671
tors. eta vs tors. theta energy: -35.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -598.694706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.694706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.694706 (E_RNA)
where:
Base-Base interactions energy: -230.455
where: short stacking energy: -172.410
Base-Backbone interact. energy: 0.311
local terms energy: -368.550547
where:
bonds (distance) C4'-P energy: -119.363
bonds (distance) P-C4' energy: -107.886
flat angles C4'-P-C4' energy: -104.006
flat angles P-C4'-P energy: -43.370
tors. eta vs tors. theta energy: 6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -685.246343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.246343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.246343 (E_RNA)
where:
Base-Base interactions energy: -309.264
where: short stacking energy: -195.212
Base-Backbone interact. energy: 4.786
local terms energy: -380.769191
where:
bonds (distance) C4'-P energy: -101.232
bonds (distance) P-C4' energy: -114.409
flat angles C4'-P-C4' energy: -99.678
flat angles P-C4'-P energy: -70.735
tors. eta vs tors. theta energy: 5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -476.592106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.592106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.592106 (E_RNA)
where:
Base-Base interactions energy: -134.382
where: short stacking energy: -121.166
Base-Backbone interact. energy: -2.050
local terms energy: -340.159559
where:
bonds (distance) C4'-P energy: -99.049
bonds (distance) P-C4' energy: -102.520
flat angles C4'-P-C4' energy: -78.416
flat angles P-C4'-P energy: -66.467
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: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -421.799092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.799092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.799092 (E_RNA)
where:
Base-Base interactions energy: -135.788
where: short stacking energy: -114.545
Base-Backbone interact. energy: 2.386
local terms energy: -288.397147
where:
bonds (distance) C4'-P energy: -88.566
bonds (distance) P-C4' energy: -97.880
flat angles C4'-P-C4' energy: -78.127
flat angles P-C4'-P energy: -45.481
tors. eta vs tors. theta energy: 21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1339.159937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.159937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.159937 (E_RNA)
where:
Base-Base interactions energy: -752.859
where: short stacking energy: -434.155
Base-Backbone interact. energy: -2.096
local terms energy: -584.204698
where:
bonds (distance) C4'-P energy: -116.674
bonds (distance) P-C4' energy: -129.938
flat angles C4'-P-C4' energy: -140.183
flat angles P-C4'-P energy: -85.279
tors. eta vs tors. theta energy: -112.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1320.064898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.064898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.064898 (E_RNA)
where:
Base-Base interactions energy: -794.684
where: short stacking energy: -415.780
Base-Backbone interact. energy: -2.567
local terms energy: -522.814369
where:
bonds (distance) C4'-P energy: -118.498
bonds (distance) P-C4' energy: -120.166
flat angles C4'-P-C4' energy: -134.467
flat angles P-C4'-P energy: -65.231
tors. eta vs tors. theta energy: -84.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1429.463211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.463211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.463211 (E_RNA)
where:
Base-Base interactions energy: -867.486
where: short stacking energy: -394.026
Base-Backbone interact. energy: -1.757
local terms energy: -560.220301
where:
bonds (distance) C4'-P energy: -126.515
bonds (distance) P-C4' energy: -119.969
flat angles C4'-P-C4' energy: -124.383
flat angles P-C4'-P energy: -76.882
tors. eta vs tors. theta energy: -112.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1049.685211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.685211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.685211 (E_RNA)
where:
Base-Base interactions energy: -587.404
where: short stacking energy: -304.390
Base-Backbone interact. energy: -1.761
local terms energy: -460.520138
where:
bonds (distance) C4'-P energy: -89.034
bonds (distance) P-C4' energy: -127.175
flat angles C4'-P-C4' energy: -111.565
flat angles P-C4'-P energy: -68.009
tors. eta vs tors. theta energy: -64.736
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: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -856.422422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.422422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.422422 (E_RNA)
where:
Base-Base interactions energy: -392.493
where: short stacking energy: -261.285
Base-Backbone interact. energy: -1.097
local terms energy: -462.831440
where:
bonds (distance) C4'-P energy: -107.614
bonds (distance) P-C4' energy: -137.269
flat angles C4'-P-C4' energy: -110.967
flat angles P-C4'-P energy: -75.348
tors. eta vs tors. theta energy: -31.633
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: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -806.985225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.985225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.985225 (E_RNA)
where:
Base-Base interactions energy: -392.437
where: short stacking energy: -254.297
Base-Backbone interact. energy: -2.599
local terms energy: -411.950068
where:
bonds (distance) C4'-P energy: -102.966
bonds (distance) P-C4' energy: -119.532
flat angles C4'-P-C4' energy: -99.352
flat angles P-C4'-P energy: -58.655
tors. eta vs tors. theta energy: -31.445
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -748.558346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.558346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.558346 (E_RNA)
where:
Base-Base interactions energy: -358.619
where: short stacking energy: -237.204
Base-Backbone interact. energy: 1.317
local terms energy: -391.256096
where:
bonds (distance) C4'-P energy: -105.280
bonds (distance) P-C4' energy: -117.049
flat angles C4'-P-C4' energy: -89.456
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -518.327443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.327443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.327443 (E_RNA)
where:
Base-Base interactions energy: -160.608
where: short stacking energy: -122.443
Base-Backbone interact. energy: -1.921
local terms energy: -355.798216
where:
bonds (distance) C4'-P energy: -90.604
bonds (distance) P-C4' energy: -120.668
flat angles C4'-P-C4' energy: -97.082
flat angles P-C4'-P energy: -66.680
tors. eta vs tors. theta energy: 19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -526.063647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.063647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.063647 (E_RNA)
where:
Base-Base interactions energy: -165.641
where: short stacking energy: -137.298
Base-Backbone interact. energy: -0.795
local terms energy: -359.627326
where:
bonds (distance) C4'-P energy: -102.590
bonds (distance) P-C4' energy: -105.950
flat angles C4'-P-C4' energy: -91.052
flat angles P-C4'-P energy: -60.644
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -443.897942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.897942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.897942 (E_RNA)
where:
Base-Base interactions energy: -145.186
where: short stacking energy: -119.816
Base-Backbone interact. energy: -1.401
local terms energy: -297.311436
where:
bonds (distance) C4'-P energy: -86.485
bonds (distance) P-C4' energy: -116.065
flat angles C4'-P-C4' energy: -75.957
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: 19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1356.732273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.732273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.732273 (E_RNA)
where:
Base-Base interactions energy: -752.255
where: short stacking energy: -435.699
Base-Backbone interact. energy: -1.400
local terms energy: -603.077171
where:
bonds (distance) C4'-P energy: -122.763
bonds (distance) P-C4' energy: -144.599
flat angles C4'-P-C4' energy: -137.978
flat angles P-C4'-P energy: -89.122
tors. eta vs tors. theta energy: -108.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1523.887943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.887943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.887943 (E_RNA)
where:
Base-Base interactions energy: -929.438
where: short stacking energy: -443.368
Base-Backbone interact. energy: -2.031
local terms energy: -592.419300
where:
bonds (distance) C4'-P energy: -125.678
bonds (distance) P-C4' energy: -124.520
flat angles C4'-P-C4' energy: -131.647
flat angles P-C4'-P energy: -86.386
tors. eta vs tors. theta energy: -124.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1231.990913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.990913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.990913 (E_RNA)
where:
Base-Base interactions energy: -708.728
where: short stacking energy: -348.185
Base-Backbone interact. energy: -0.160
local terms energy: -523.103413
where:
bonds (distance) C4'-P energy: -134.332
bonds (distance) P-C4' energy: -130.594
flat angles C4'-P-C4' energy: -125.843
flat angles P-C4'-P energy: -65.694
tors. eta vs tors. theta energy: -66.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1072.785983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.785983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.785983 (E_RNA)
where:
Base-Base interactions energy: -587.003
where: short stacking energy: -304.731
Base-Backbone interact. energy: -1.000
local terms energy: -484.783548
where:
bonds (distance) C4'-P energy: -119.549
bonds (distance) P-C4' energy: -119.268
flat angles C4'-P-C4' energy: -116.850
flat angles P-C4'-P energy: -63.057
tors. eta vs tors. theta energy: -66.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -957.023977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.023977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.023977 (E_RNA)
where:
Base-Base interactions energy: -521.465
where: short stacking energy: -282.386
Base-Backbone interact. energy: -1.521
local terms energy: -434.037757
where:
bonds (distance) C4'-P energy: -103.413
bonds (distance) P-C4' energy: -92.163
flat angles C4'-P-C4' energy: -119.648
flat angles P-C4'-P energy: -72.747
tors. eta vs tors. theta energy: -46.066
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: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -910.615985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.615985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.615985 (E_RNA)
where:
Base-Base interactions energy: -446.733
where: short stacking energy: -236.547
Base-Backbone interact. energy: -1.251
local terms energy: -462.632169
where:
bonds (distance) C4'-P energy: -110.702
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -114.835
flat angles P-C4'-P energy: -77.668
tors. eta vs tors. theta energy: -43.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -760.562468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.562468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.562468 (E_RNA)
where:
Base-Base interactions energy: -352.989
where: short stacking energy: -240.816
Base-Backbone interact. energy: -2.738
local terms energy: -404.836081
where:
bonds (distance) C4'-P energy: -109.914
bonds (distance) P-C4' energy: -108.955
flat angles C4'-P-C4' energy: -90.610
flat angles P-C4'-P energy: -66.739
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -523.624280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.624280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.624280 (E_RNA)
where:
Base-Base interactions energy: -167.418
where: short stacking energy: -140.061
Base-Backbone interact. energy: 0.060
local terms energy: -356.266223
where:
bonds (distance) C4'-P energy: -87.355
bonds (distance) P-C4' energy: -109.553
flat angles C4'-P-C4' energy: -95.355
flat angles P-C4'-P energy: -64.296
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: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -496.537398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.537398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.537398 (E_RNA)
where:
Base-Base interactions energy: -155.729
where: short stacking energy: -136.183
Base-Backbone interact. energy: -2.548
local terms energy: -338.260111
where:
bonds (distance) C4'-P energy: -99.017
bonds (distance) P-C4' energy: -111.588
flat angles C4'-P-C4' energy: -84.628
flat angles P-C4'-P energy: -50.602
tors. eta vs tors. theta energy: 7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -452.915680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.915680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.915680 (E_RNA)
where:
Base-Base interactions energy: -133.196
where: short stacking energy: -107.019
Base-Backbone interact. energy: 1.819
local terms energy: -321.537998
where:
bonds (distance) C4'-P energy: -96.383
bonds (distance) P-C4' energy: -113.817
flat angles C4'-P-C4' energy: -88.987
flat angles P-C4'-P energy: -48.321
tors. eta vs tors. theta energy: 25.970
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: 16
Temperature: 0.900000
Total energy: -1566.468232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.468232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.468232 (E_RNA)
where:
Base-Base interactions energy: -976.351
where: short stacking energy: -454.628
Base-Backbone interact. energy: -2.933
local terms energy: -587.184237
where:
bonds (distance) C4'-P energy: -126.099
bonds (distance) P-C4' energy: -129.581
flat angles C4'-P-C4' energy: -128.283
flat angles P-C4'-P energy: -86.531
tors. eta vs tors. theta energy: -116.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1315.090336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.090336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.090336 (E_RNA)
where:
Base-Base interactions energy: -734.024
where: short stacking energy: -421.976
Base-Backbone interact. energy: -3.305
local terms energy: -577.761596
where:
bonds (distance) C4'-P energy: -115.328
bonds (distance) P-C4' energy: -125.225
flat angles C4'-P-C4' energy: -132.454
flat angles P-C4'-P energy: -90.304
tors. eta vs tors. theta energy: -114.450
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: 16
Temperature: 1.000000
Total energy: -1297.636860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.636860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.636860 (E_RNA)
where:
Base-Base interactions energy: -778.693
where: short stacking energy: -389.052
Base-Backbone interact. energy: -1.218
local terms energy: -517.725900
where:
bonds (distance) C4'-P energy: -125.340
bonds (distance) P-C4' energy: -120.059
flat angles C4'-P-C4' energy: -115.154
flat angles P-C4'-P energy: -60.611
tors. eta vs tors. theta energy: -96.562
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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1055.882814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.882814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.882814 (E_RNA)
where:
Base-Base interactions energy: -580.117
where: short stacking energy: -313.048
Base-Backbone interact. energy: -0.174
local terms energy: -475.592606
where:
bonds (distance) C4'-P energy: -116.802
bonds (distance) P-C4' energy: -111.892
flat angles C4'-P-C4' energy: -111.900
flat angles P-C4'-P energy: -72.451
tors. eta vs tors. theta energy: -62.548
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: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -985.033938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.033938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.033938 (E_RNA)
where:
Base-Base interactions energy: -531.423
where: short stacking energy: -264.500
Base-Backbone interact. energy: 0.232
local terms energy: -453.842933
where:
bonds (distance) C4'-P energy: -106.849
bonds (distance) P-C4' energy: -129.690
flat angles C4'-P-C4' energy: -111.221
flat angles P-C4'-P energy: -62.018
tors. eta vs tors. theta energy: -44.065
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -948.374974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.374974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.374974 (E_RNA)
where:
Base-Base interactions energy: -512.290
where: short stacking energy: -273.857
Base-Backbone interact. energy: -2.593
local terms energy: -433.491970
where:
bonds (distance) C4'-P energy: -94.962
bonds (distance) P-C4' energy: -109.614
flat angles C4'-P-C4' energy: -121.399
flat angles P-C4'-P energy: -64.151
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -796.289668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.289668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.289668 (E_RNA)
where:
Base-Base interactions energy: -400.743
where: short stacking energy: -227.058
Base-Backbone interact. energy: 2.689
local terms energy: -398.235914
where:
bonds (distance) C4'-P energy: -99.940
bonds (distance) P-C4' energy: -104.207
flat angles C4'-P-C4' energy: -96.231
flat angles P-C4'-P energy: -70.797
tors. eta vs tors. theta energy: -27.061
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: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -521.418608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.418608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.418608 (E_RNA)
where:
Base-Base interactions energy: -167.942
where: short stacking energy: -148.753
Base-Backbone interact. energy: -0.525
local terms energy: -352.951834
where:
bonds (distance) C4'-P energy: -101.582
bonds (distance) P-C4' energy: -128.808
flat angles C4'-P-C4' energy: -96.997
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: 15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -585.643402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.643402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.643402 (E_RNA)
where:
Base-Base interactions energy: -258.719
where: short stacking energy: -149.159
Base-Backbone interact. energy: 2.449
local terms energy: -329.373498
where:
bonds (distance) C4'-P energy: -96.595
bonds (distance) P-C4' energy: -99.402
flat angles C4'-P-C4' energy: -89.080
flat angles P-C4'-P energy: -63.659
tors. eta vs tors. theta energy: 19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -455.210678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.210678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.210678 (E_RNA)
where:
Base-Base interactions energy: -128.116
where: short stacking energy: -116.811
Base-Backbone interact. energy: 6.004
local terms energy: -333.099119
where:
bonds (distance) C4'-P energy: -91.453
bonds (distance) P-C4' energy: -111.297
flat angles C4'-P-C4' energy: -101.094
flat angles P-C4'-P energy: -45.591
tors. eta vs tors. theta energy: 16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1606.470253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.470253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.470253 (E_RNA)
where:
Base-Base interactions energy: -1018.109
where: short stacking energy: -447.611
Base-Backbone interact. energy: -5.988
local terms energy: -582.372783
where:
bonds (distance) C4'-P energy: -115.779
bonds (distance) P-C4' energy: -127.311
flat angles C4'-P-C4' energy: -135.113
flat angles P-C4'-P energy: -79.391
tors. eta vs tors. theta energy: -124.779
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: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1381.025771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.025771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.025771 (E_RNA)
where:
Base-Base interactions energy: -839.617
where: short stacking energy: -408.336
Base-Backbone interact. energy: -2.917
local terms energy: -538.491441
where:
bonds (distance) C4'-P energy: -129.592
bonds (distance) P-C4' energy: -110.830
flat angles C4'-P-C4' energy: -117.394
flat angles P-C4'-P energy: -84.345
tors. eta vs tors. theta energy: -96.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1215.492800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.492800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.492800 (E_RNA)
where:
Base-Base interactions energy: -674.298
where: short stacking energy: -403.956
Base-Backbone interact. energy: 1.152
local terms energy: -542.346666
where:
bonds (distance) C4'-P energy: -118.708
bonds (distance) P-C4' energy: -116.517
flat angles C4'-P-C4' energy: -116.523
flat angles P-C4'-P energy: -80.522
tors. eta vs tors. theta energy: -110.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1141.099655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.099655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.099655 (E_RNA)
where:
Base-Base interactions energy: -656.059
where: short stacking energy: -332.402
Base-Backbone interact. energy: -0.503
local terms energy: -484.537445
where:
bonds (distance) C4'-P energy: -108.042
bonds (distance) P-C4' energy: -129.732
flat angles C4'-P-C4' energy: -93.564
flat angles P-C4'-P energy: -76.507
tors. eta vs tors. theta energy: -76.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1080.922991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.922991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.922991 (E_RNA)
where:
Base-Base interactions energy: -617.660
where: short stacking energy: -302.757
Base-Backbone interact. energy: -4.839
local terms energy: -458.423529
where:
bonds (distance) C4'-P energy: -126.542
bonds (distance) P-C4' energy: -119.577
flat angles C4'-P-C4' energy: -96.538
flat angles P-C4'-P energy: -64.620
tors. eta vs tors. theta energy: -51.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1003.350337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.350337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.350337 (E_RNA)
where:
Base-Base interactions energy: -545.781
where: short stacking energy: -315.674
Base-Backbone interact. energy: -0.076
local terms energy: -457.493477
where:
bonds (distance) C4'-P energy: -101.862
bonds (distance) P-C4' energy: -114.688
flat angles C4'-P-C4' energy: -112.761
flat angles P-C4'-P energy: -64.197
tors. eta vs tors. theta energy: -63.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -758.407182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.407182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.407182 (E_RNA)
where:
Base-Base interactions energy: -354.457
where: short stacking energy: -218.552
Base-Backbone interact. energy: -3.552
local terms energy: -400.398120
where:
bonds (distance) C4'-P energy: -118.233
bonds (distance) P-C4' energy: -112.776
flat angles C4'-P-C4' energy: -102.802
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -666.413995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.413995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.413995 (E_RNA)
where:
Base-Base interactions energy: -309.848
where: short stacking energy: -185.623
Base-Backbone interact. energy: 0.385
local terms energy: -356.951645
where:
bonds (distance) C4'-P energy: -102.709
bonds (distance) P-C4' energy: -113.150
flat angles C4'-P-C4' energy: -89.210
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -478.960724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.960724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.960724 (E_RNA)
where:
Base-Base interactions energy: -159.662
where: short stacking energy: -111.278
Base-Backbone interact. energy: -0.831
local terms energy: -318.467536
where:
bonds (distance) C4'-P energy: -90.017
bonds (distance) P-C4' energy: -121.113
flat angles C4'-P-C4' energy: -88.290
flat angles P-C4'-P energy: -51.485
tors. eta vs tors. theta energy: 32.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -492.503158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.503158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.503158 (E_RNA)
where:
Base-Base interactions energy: -152.501
where: short stacking energy: -126.060
Base-Backbone interact. energy: 1.622
local terms energy: -341.623798
where:
bonds (distance) C4'-P energy: -102.490
bonds (distance) P-C4' energy: -103.636
flat angles C4'-P-C4' energy: -100.018
flat angles P-C4'-P energy: -61.527
tors. eta vs tors. theta energy: 26.048
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: 18
Temperature: 0.900000
Total energy: -1630.096000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.096000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.096000 (E_RNA)
where:
Base-Base interactions energy: -1038.877
where: short stacking energy: -455.914
Base-Backbone interact. energy: 0.093
local terms energy: -591.312272
where:
bonds (distance) C4'-P energy: -127.306
bonds (distance) P-C4' energy: -123.943
flat angles C4'-P-C4' energy: -119.790
flat angles P-C4'-P energy: -94.986
tors. eta vs tors. theta energy: -125.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1475.906843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.906843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.906843 (E_RNA)
where:
Base-Base interactions energy: -933.658
where: short stacking energy: -426.505
Base-Backbone interact. energy: 1.118
local terms energy: -543.367369
where:
bonds (distance) C4'-P energy: -113.129
bonds (distance) P-C4' energy: -126.283
flat angles C4'-P-C4' energy: -114.679
flat angles P-C4'-P energy: -86.816
tors. eta vs tors. theta energy: -102.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1197.654185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.654185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.654185 (E_RNA)
where:
Base-Base interactions energy: -665.568
where: short stacking energy: -391.827
Base-Backbone interact. energy: 1.153
local terms energy: -533.238641
where:
bonds (distance) C4'-P energy: -105.840
bonds (distance) P-C4' energy: -131.492
flat angles C4'-P-C4' energy: -127.855
flat angles P-C4'-P energy: -78.056
tors. eta vs tors. theta energy: -89.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1165.123506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.123506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.123506 (E_RNA)
where:
Base-Base interactions energy: -665.643
where: short stacking energy: -339.019
Base-Backbone interact. energy: -0.826
local terms energy: -498.655304
where:
bonds (distance) C4'-P energy: -109.894
bonds (distance) P-C4' energy: -114.655
flat angles C4'-P-C4' energy: -113.873
flat angles P-C4'-P energy: -77.683
tors. eta vs tors. theta energy: -82.549
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: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1113.892366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.892366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.892366 (E_RNA)
where:
Base-Base interactions energy: -652.127
where: short stacking energy: -315.347
Base-Backbone interact. energy: -2.775
local terms energy: -458.990610
where:
bonds (distance) C4'-P energy: -99.537
bonds (distance) P-C4' energy: -109.895
flat angles C4'-P-C4' energy: -129.399
flat angles P-C4'-P energy: -74.196
tors. eta vs tors. theta energy: -45.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1051.443205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.443205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.443205 (E_RNA)
where:
Base-Base interactions energy: -587.561
where: short stacking energy: -318.049
Base-Backbone interact. energy: 3.470
local terms energy: -467.352777
where:
bonds (distance) C4'-P energy: -111.411
bonds (distance) P-C4' energy: -104.185
flat angles C4'-P-C4' energy: -117.905
flat angles P-C4'-P energy: -66.480
tors. eta vs tors. theta energy: -67.372
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: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -748.443603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.443603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.443603 (E_RNA)
where:
Base-Base interactions energy: -345.310
where: short stacking energy: -230.768
Base-Backbone interact. energy: -2.728
local terms energy: -400.406034
where:
bonds (distance) C4'-P energy: -108.314
bonds (distance) P-C4' energy: -106.276
flat angles C4'-P-C4' energy: -98.761
flat angles P-C4'-P energy: -64.083
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -675.141493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.141493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.141493 (E_RNA)
where:
Base-Base interactions energy: -304.166
where: short stacking energy: -199.310
Base-Backbone interact. energy: 2.947
local terms energy: -373.922470
where:
bonds (distance) C4'-P energy: -94.219
bonds (distance) P-C4' energy: -111.242
flat angles C4'-P-C4' energy: -98.335
flat angles P-C4'-P energy: -62.399
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -470.048764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.048764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.048764 (E_RNA)
where:
Base-Base interactions energy: -121.802
where: short stacking energy: -104.118
Base-Backbone interact. energy: -0.186
local terms energy: -348.060323
where:
bonds (distance) C4'-P energy: -97.543
bonds (distance) P-C4' energy: -114.460
flat angles C4'-P-C4' energy: -102.213
flat angles P-C4'-P energy: -55.533
tors. eta vs tors. theta energy: 21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -446.580649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.580649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.580649 (E_RNA)
where:
Base-Base interactions energy: -122.915
where: short stacking energy: -93.938
Base-Backbone interact. energy: -0.974
local terms energy: -322.692401
where:
bonds (distance) C4'-P energy: -103.468
bonds (distance) P-C4' energy: -119.357
flat angles C4'-P-C4' energy: -75.373
flat angles P-C4'-P energy: -58.452
tors. eta vs tors. theta energy: 33.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1634.921383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.921383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.921383 (E_RNA)
where:
Base-Base interactions energy: -1039.141
where: short stacking energy: -479.585
Base-Backbone interact. energy: -2.797
local terms energy: -592.983212
where:
bonds (distance) C4'-P energy: -115.216
bonds (distance) P-C4' energy: -121.660
flat angles C4'-P-C4' energy: -140.241
flat angles P-C4'-P energy: -85.051
tors. eta vs tors. theta energy: -130.815
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1516.504626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.504626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.504626 (E_RNA)
where:
Base-Base interactions energy: -934.434
where: short stacking energy: -454.677
Base-Backbone interact. energy: -3.236
local terms energy: -578.834921
where:
bonds (distance) C4'-P energy: -125.932
bonds (distance) P-C4' energy: -124.300
flat angles C4'-P-C4' energy: -125.846
flat angles P-C4'-P energy: -90.803
tors. eta vs tors. theta energy: -111.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1254.787324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.787324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.787324 (E_RNA)
where:
Base-Base interactions energy: -697.588
where: short stacking energy: -411.753
Base-Backbone interact. energy: -0.654
local terms energy: -556.545392
where:
bonds (distance) C4'-P energy: -111.824
bonds (distance) P-C4' energy: -129.108
flat angles C4'-P-C4' energy: -128.575
flat angles P-C4'-P energy: -83.307
tors. eta vs tors. theta energy: -103.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1250.528777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.528777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.528777 (E_RNA)
where:
Base-Base interactions energy: -756.635
where: short stacking energy: -347.516
Base-Backbone interact. energy: -0.639
local terms energy: -493.254499
where:
bonds (distance) C4'-P energy: -107.984
bonds (distance) P-C4' energy: -113.704
flat angles C4'-P-C4' energy: -116.242
flat angles P-C4'-P energy: -72.219
tors. eta vs tors. theta energy: -83.106
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: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1099.413530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.413530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.413530 (E_RNA)
where:
Base-Base interactions energy: -622.752
where: short stacking energy: -301.483
Base-Backbone interact. energy: 7.612
local terms energy: -484.274300
where:
bonds (distance) C4'-P energy: -120.306
bonds (distance) P-C4' energy: -112.213
flat angles C4'-P-C4' energy: -119.149
flat angles P-C4'-P energy: -78.344
tors. eta vs tors. theta energy: -54.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1026.783410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.783410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.783410 (E_RNA)
where:
Base-Base interactions energy: -571.454
where: short stacking energy: -289.031
Base-Backbone interact. energy: -0.824
local terms energy: -454.505145
where:
bonds (distance) C4'-P energy: -96.617
bonds (distance) P-C4' energy: -113.730
flat angles C4'-P-C4' energy: -96.060
flat angles P-C4'-P energy: -86.663
tors. eta vs tors. theta energy: -61.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -786.180561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.180561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.180561 (E_RNA)
where:
Base-Base interactions energy: -383.623
where: short stacking energy: -229.590
Base-Backbone interact. energy: -3.988
local terms energy: -398.569360
where:
bonds (distance) C4'-P energy: -112.170
bonds (distance) P-C4' energy: -92.970
flat angles C4'-P-C4' energy: -116.075
flat angles P-C4'-P energy: -52.520
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -683.149258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.149258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.149258 (E_RNA)
where:
Base-Base interactions energy: -309.445
where: short stacking energy: -210.901
Base-Backbone interact. energy: 0.969
local terms energy: -374.672622
where:
bonds (distance) C4'-P energy: -94.230
bonds (distance) P-C4' energy: -109.336
flat angles C4'-P-C4' energy: -95.127
flat angles P-C4'-P energy: -54.318
tors. eta vs tors. theta energy: -21.662
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: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -471.980424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.980424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.980424 (E_RNA)
where:
Base-Base interactions energy: -108.942
where: short stacking energy: -92.497
Base-Backbone interact. energy: 1.469
local terms energy: -364.508161
where:
bonds (distance) C4'-P energy: -108.512
bonds (distance) P-C4' energy: -121.508
flat angles C4'-P-C4' energy: -98.725
flat angles P-C4'-P energy: -60.494
tors. eta vs tors. theta energy: 24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -442.859080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.859080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.859080 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -107.372
Base-Backbone interact. energy: -1.419
local terms energy: -306.069835
where:
bonds (distance) C4'-P energy: -105.813
bonds (distance) P-C4' energy: -108.121
flat angles C4'-P-C4' energy: -71.653
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: 25.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1698.912544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.912544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.912544 (E_RNA)
where:
Base-Base interactions energy: -1064.656
where: short stacking energy: -476.702
Base-Backbone interact. energy: -4.447
local terms energy: -629.809841
where:
bonds (distance) C4'-P energy: -121.969
bonds (distance) P-C4' energy: -139.462
flat angles C4'-P-C4' energy: -134.973
flat angles P-C4'-P energy: -99.490
tors. eta vs tors. theta energy: -133.916
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: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1553.368659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.368659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.368659 (E_RNA)
where:
Base-Base interactions energy: -946.087
where: short stacking energy: -454.178
Base-Backbone interact. energy: -4.399
local terms energy: -602.882599
where:
bonds (distance) C4'-P energy: -121.465
bonds (distance) P-C4' energy: -138.448
flat angles C4'-P-C4' energy: -127.571
flat angles P-C4'-P energy: -97.352
tors. eta vs tors. theta energy: -118.047
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: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1374.181442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.181442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.181442 (E_RNA)
where:
Base-Base interactions energy: -848.890
where: short stacking energy: -401.264
Base-Backbone interact. energy: 2.352
local terms energy: -527.643589
where:
bonds (distance) C4'-P energy: -121.193
bonds (distance) P-C4' energy: -116.301
flat angles C4'-P-C4' energy: -112.782
flat angles P-C4'-P energy: -82.154
tors. eta vs tors. theta energy: -95.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1199.170130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.170130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.170130 (E_RNA)
where:
Base-Base interactions energy: -675.528
where: short stacking energy: -365.245
Base-Backbone interact. energy: -0.784
local terms energy: -522.857928
where:
bonds (distance) C4'-P energy: -117.197
bonds (distance) P-C4' energy: -119.495
flat angles C4'-P-C4' energy: -123.551
flat angles P-C4'-P energy: -67.048
tors. eta vs tors. theta energy: -95.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1158.556973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.556973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.556973 (E_RNA)
where:
Base-Base interactions energy: -686.272
where: short stacking energy: -333.970
Base-Backbone interact. energy: -4.065
local terms energy: -468.220486
where:
bonds (distance) C4'-P energy: -98.212
bonds (distance) P-C4' energy: -115.329
flat angles C4'-P-C4' energy: -118.968
flat angles P-C4'-P energy: -69.135
tors. eta vs tors. theta energy: -66.576
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: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1054.360947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.360947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.360947 (E_RNA)
where:
Base-Base interactions energy: -602.044
where: short stacking energy: -278.007
Base-Backbone interact. energy: -3.369
local terms energy: -448.947770
where:
bonds (distance) C4'-P energy: -90.928
bonds (distance) P-C4' energy: -114.692
flat angles C4'-P-C4' energy: -125.399
flat angles P-C4'-P energy: -68.089
tors. eta vs tors. theta energy: -49.839
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: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -788.199209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.199209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.199209 (E_RNA)
where:
Base-Base interactions energy: -414.598
where: short stacking energy: -217.106
Base-Backbone interact. energy: -0.379
local terms energy: -373.222349
where:
bonds (distance) C4'-P energy: -106.529
bonds (distance) P-C4' energy: -109.143
flat angles C4'-P-C4' energy: -83.735
flat angles P-C4'-P energy: -60.053
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: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -643.629901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.629901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.629901 (E_RNA)
where:
Base-Base interactions energy: -255.107
where: short stacking energy: -189.924
Base-Backbone interact. energy: 2.803
local terms energy: -391.325386
where:
bonds (distance) C4'-P energy: -111.770
bonds (distance) P-C4' energy: -102.429
flat angles C4'-P-C4' energy: -106.331
flat angles P-C4'-P energy: -64.573
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: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -480.480129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.480129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.480129 (E_RNA)
where:
Base-Base interactions energy: -156.888
where: short stacking energy: -140.178
Base-Backbone interact. energy: 5.427
local terms energy: -329.019784
where:
bonds (distance) C4'-P energy: -98.071
bonds (distance) P-C4' energy: -104.098
flat angles C4'-P-C4' energy: -103.910
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: 24.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -466.060500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.060500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.060500 (E_RNA)
where:
Base-Base interactions energy: -145.463
where: short stacking energy: -127.743
Base-Backbone interact. energy: 3.912
local terms energy: -324.509858
where:
bonds (distance) C4'-P energy: -112.659
bonds (distance) P-C4' energy: -120.716
flat angles C4'-P-C4' energy: -76.609
flat angles P-C4'-P energy: -45.490
tors. eta vs tors. theta energy: 30.965
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1693.918591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.918591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.918591 (E_RNA)
where:
Base-Base interactions energy: -1112.136
where: short stacking energy: -454.412
Base-Backbone interact. energy: -3.997
local terms energy: -577.786150
where:
bonds (distance) C4'-P energy: -128.064
bonds (distance) P-C4' energy: -108.005
flat angles C4'-P-C4' energy: -133.771
flat angles P-C4'-P energy: -76.177
tors. eta vs tors. theta energy: -131.769
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: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1566.375989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.375989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.375989 (E_RNA)
where:
Base-Base interactions energy: -970.036
where: short stacking energy: -480.779
Base-Backbone interact. energy: -1.644
local terms energy: -594.696650
where:
bonds (distance) C4'-P energy: -121.979
bonds (distance) P-C4' energy: -118.347
flat angles C4'-P-C4' energy: -140.245
flat angles P-C4'-P energy: -82.141
tors. eta vs tors. theta energy: -131.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1319.215155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.215155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.215155 (E_RNA)
where:
Base-Base interactions energy: -806.351
where: short stacking energy: -380.537
Base-Backbone interact. energy: -3.983
local terms energy: -508.881497
where:
bonds (distance) C4'-P energy: -104.958
bonds (distance) P-C4' energy: -120.340
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -77.991
tors. eta vs tors. theta energy: -87.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1173.895400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.895400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.895400 (E_RNA)
where:
Base-Base interactions energy: -668.752
where: short stacking energy: -335.060
Base-Backbone interact. energy: -2.892
local terms energy: -502.251484
where:
bonds (distance) C4'-P energy: -111.145
bonds (distance) P-C4' energy: -117.930
flat angles C4'-P-C4' energy: -114.349
flat angles P-C4'-P energy: -70.410
tors. eta vs tors. theta energy: -88.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1190.756011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.756011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.756011 (E_RNA)
where:
Base-Base interactions energy: -760.915
where: short stacking energy: -339.730
Base-Backbone interact. energy: 4.091
local terms energy: -433.931702
where:
bonds (distance) C4'-P energy: -96.958
bonds (distance) P-C4' energy: -103.548
flat angles C4'-P-C4' energy: -106.483
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: -74.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1103.383903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.383903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.383903 (E_RNA)
where:
Base-Base interactions energy: -630.252
where: short stacking energy: -319.305
Base-Backbone interact. energy: -0.626
local terms energy: -472.505468
where:
bonds (distance) C4'-P energy: -102.090
bonds (distance) P-C4' energy: -125.040
flat angles C4'-P-C4' energy: -108.700
flat angles P-C4'-P energy: -72.708
tors. eta vs tors. theta energy: -63.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -801.746080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.746080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.746080 (E_RNA)
where:
Base-Base interactions energy: -385.117
where: short stacking energy: -204.102
Base-Backbone interact. energy: -0.037
local terms energy: -416.592279
where:
bonds (distance) C4'-P energy: -118.333
bonds (distance) P-C4' energy: -110.972
flat angles C4'-P-C4' energy: -104.850
flat angles P-C4'-P energy: -67.097
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -657.452170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.452170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.452170 (E_RNA)
where:
Base-Base interactions energy: -300.383
where: short stacking energy: -215.166
Base-Backbone interact. energy: -0.569
local terms energy: -356.499920
where:
bonds (distance) C4'-P energy: -95.332
bonds (distance) P-C4' energy: -119.135
flat angles C4'-P-C4' energy: -84.254
flat angles P-C4'-P energy: -67.299
tors. eta vs tors. theta energy: 9.519
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: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -486.076818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.076818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.076818 (E_RNA)
where:
Base-Base interactions energy: -163.189
where: short stacking energy: -142.705
Base-Backbone interact. energy: 7.238
local terms energy: -330.125970
where:
bonds (distance) C4'-P energy: -120.495
bonds (distance) P-C4' energy: -109.520
flat angles C4'-P-C4' energy: -71.449
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: 11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -442.358977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.358977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.358977 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -116.229
Base-Backbone interact. energy: -0.261
local terms energy: -307.390569
where:
bonds (distance) C4'-P energy: -113.458
bonds (distance) P-C4' energy: -107.589
flat angles C4'-P-C4' energy: -81.399
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: 36.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1787.635506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.635506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.635506 (E_RNA)
where:
Base-Base interactions energy: -1171.601
where: short stacking energy: -497.971
Base-Backbone interact. energy: -5.288
local terms energy: -610.746440
where:
bonds (distance) C4'-P energy: -128.966
bonds (distance) P-C4' energy: -130.013
flat angles C4'-P-C4' energy: -121.356
flat angles P-C4'-P energy: -94.293
tors. eta vs tors. theta energy: -136.119
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1623.873057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.873057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.873057 (E_RNA)
where:
Base-Base interactions energy: -1005.578
where: short stacking energy: -506.544
Base-Backbone interact. energy: -1.524
local terms energy: -616.771735
where:
bonds (distance) C4'-P energy: -114.217
bonds (distance) P-C4' energy: -123.949
flat angles C4'-P-C4' energy: -139.921
flat angles P-C4'-P energy: -92.425
tors. eta vs tors. theta energy: -146.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1414.310688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.310688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.310688 (E_RNA)
where:
Base-Base interactions energy: -856.874
where: short stacking energy: -404.410
Base-Backbone interact. energy: -2.045
local terms energy: -555.392084
where:
bonds (distance) C4'-P energy: -105.016
bonds (distance) P-C4' energy: -128.788
flat angles C4'-P-C4' energy: -123.545
flat angles P-C4'-P energy: -100.019
tors. eta vs tors. theta energy: -98.023
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: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1184.780241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.780241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.780241 (E_RNA)
where:
Base-Base interactions energy: -693.344
where: short stacking energy: -361.720
Base-Backbone interact. energy: 1.008
local terms energy: -492.444564
where:
bonds (distance) C4'-P energy: -112.425
bonds (distance) P-C4' energy: -127.871
flat angles C4'-P-C4' energy: -118.032
flat angles P-C4'-P energy: -56.806
tors. eta vs tors. theta energy: -77.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1312.230778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.230778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.230778 (E_RNA)
where:
Base-Base interactions energy: -839.814
where: short stacking energy: -339.230
Base-Backbone interact. energy: 3.392
local terms energy: -475.808827
where:
bonds (distance) C4'-P energy: -115.077
bonds (distance) P-C4' energy: -119.337
flat angles C4'-P-C4' energy: -105.382
flat angles P-C4'-P energy: -53.398
tors. eta vs tors. theta energy: -82.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1143.233115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.233115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.233115 (E_RNA)
where:
Base-Base interactions energy: -654.929
where: short stacking energy: -309.633
Base-Backbone interact. energy: -3.604
local terms energy: -484.699378
where:
bonds (distance) C4'-P energy: -117.064
bonds (distance) P-C4' energy: -108.224
flat angles C4'-P-C4' energy: -116.641
flat angles P-C4'-P energy: -64.899
tors. eta vs tors. theta energy: -77.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -785.813471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.813471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.813471 (E_RNA)
where:
Base-Base interactions energy: -386.983
where: short stacking energy: -232.217
Base-Backbone interact. energy: 0.153
local terms energy: -398.984341
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -119.422
flat angles C4'-P-C4' energy: -96.041
flat angles P-C4'-P energy: -56.949
tors. eta vs tors. theta energy: -34.079
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: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -680.537189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.537189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.537189 (E_RNA)
where:
Base-Base interactions energy: -284.858
where: short stacking energy: -175.437
Base-Backbone interact. energy: 1.236
local terms energy: -396.915415
where:
bonds (distance) C4'-P energy: -99.183
bonds (distance) P-C4' energy: -120.988
flat angles C4'-P-C4' energy: -94.104
flat angles P-C4'-P energy: -80.664
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -463.014160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.014160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.014160 (E_RNA)
where:
Base-Base interactions energy: -151.027
where: short stacking energy: -132.209
Base-Backbone interact. energy: 13.450
local terms energy: -325.437596
where:
bonds (distance) C4'-P energy: -90.304
bonds (distance) P-C4' energy: -116.093
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -48.907
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: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -436.022984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.022984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.022984 (E_RNA)
where:
Base-Base interactions energy: -135.203
where: short stacking energy: -124.365
Base-Backbone interact. energy: 2.511
local terms energy: -303.330570
where:
bonds (distance) C4'-P energy: -100.464
bonds (distance) P-C4' energy: -90.873
flat angles C4'-P-C4' energy: -84.691
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: 33.649
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: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1767.341909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.341909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.341909 (E_RNA)
where:
Base-Base interactions energy: -1161.294
where: short stacking energy: -482.590
Base-Backbone interact. energy: 0.528
local terms energy: -606.575594
where:
bonds (distance) C4'-P energy: -129.036
bonds (distance) P-C4' energy: -126.732
flat angles C4'-P-C4' energy: -127.798
flat angles P-C4'-P energy: -92.944
tors. eta vs tors. theta energy: -130.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1649.968733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.968733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.968733 (E_RNA)
where:
Base-Base interactions energy: -1059.384
where: short stacking energy: -453.847
Base-Backbone interact. energy: -3.053
local terms energy: -587.531839
where:
bonds (distance) C4'-P energy: -114.814
bonds (distance) P-C4' energy: -123.439
flat angles C4'-P-C4' energy: -133.634
flat angles P-C4'-P energy: -76.723
tors. eta vs tors. theta energy: -138.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1467.371705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.371705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.371705 (E_RNA)
where:
Base-Base interactions energy: -927.267
where: short stacking energy: -437.333
Base-Backbone interact. energy: -1.600
local terms energy: -538.505128
where:
bonds (distance) C4'-P energy: -127.722
bonds (distance) P-C4' energy: -100.462
flat angles C4'-P-C4' energy: -116.656
flat angles P-C4'-P energy: -78.242
tors. eta vs tors. theta energy: -115.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1436.769323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.769323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.769323 (E_RNA)
where:
Base-Base interactions energy: -936.801
where: short stacking energy: -405.171
Base-Backbone interact. energy: -1.999
local terms energy: -497.968447
where:
bonds (distance) C4'-P energy: -110.383
bonds (distance) P-C4' energy: -102.892
flat angles C4'-P-C4' energy: -114.769
flat angles P-C4'-P energy: -78.461
tors. eta vs tors. theta energy: -91.464
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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1053.783870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.783870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.783870 (E_RNA)
where:
Base-Base interactions energy: -587.799
where: short stacking energy: -302.605
Base-Backbone interact. energy: -2.602
local terms energy: -463.382502
where:
bonds (distance) C4'-P energy: -110.772
bonds (distance) P-C4' energy: -118.671
flat angles C4'-P-C4' energy: -109.172
flat angles P-C4'-P energy: -72.687
tors. eta vs tors. theta energy: -52.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1189.583249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.583249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.583249 (E_RNA)
where:
Base-Base interactions energy: -710.833
where: short stacking energy: -337.248
Base-Backbone interact. energy: -1.043
local terms energy: -477.707036
where:
bonds (distance) C4'-P energy: -99.395
bonds (distance) P-C4' energy: -114.174
flat angles C4'-P-C4' energy: -109.329
flat angles P-C4'-P energy: -77.016
tors. eta vs tors. theta energy: -77.793
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: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -765.085059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.085059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.085059 (E_RNA)
where:
Base-Base interactions energy: -384.404
where: short stacking energy: -207.179
Base-Backbone interact. energy: 2.410
local terms energy: -383.090442
where:
bonds (distance) C4'-P energy: -106.914
bonds (distance) P-C4' energy: -114.975
flat angles C4'-P-C4' energy: -106.227
flat angles P-C4'-P energy: -50.119
tors. eta vs tors. theta energy: -4.856
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: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -707.651678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.651678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.651678 (E_RNA)
where:
Base-Base interactions energy: -328.183
where: short stacking energy: -179.921
Base-Backbone interact. energy: -2.559
local terms energy: -376.909220
where:
bonds (distance) C4'-P energy: -101.185
bonds (distance) P-C4' energy: -121.413
flat angles C4'-P-C4' energy: -95.752
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -471.902585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.902585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.902585 (E_RNA)
where:
Base-Base interactions energy: -120.769
where: short stacking energy: -105.050
Base-Backbone interact. energy: 1.366
local terms energy: -352.499249
where:
bonds (distance) C4'-P energy: -119.203
bonds (distance) P-C4' energy: -109.075
flat angles C4'-P-C4' energy: -92.479
flat angles P-C4'-P energy: -62.598
tors. eta vs tors. theta energy: 30.856
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: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -454.568592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.568592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.568592 (E_RNA)
where:
Base-Base interactions energy: -141.079
where: short stacking energy: -123.282
Base-Backbone interact. energy: 3.391
local terms energy: -316.880950
where:
bonds (distance) C4'-P energy: -102.410
bonds (distance) P-C4' energy: -119.319
flat angles C4'-P-C4' energy: -69.243
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: 20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1805.358641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.358641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.358641 (E_RNA)
where:
Base-Base interactions energy: -1217.595
where: short stacking energy: -504.969
Base-Backbone interact. energy: -2.619
local terms energy: -585.144769
where:
bonds (distance) C4'-P energy: -116.185
bonds (distance) P-C4' energy: -119.212
flat angles C4'-P-C4' energy: -142.425
flat angles P-C4'-P energy: -69.008
tors. eta vs tors. theta energy: -138.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1686.296647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.296647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.296647 (E_RNA)
where:
Base-Base interactions energy: -1063.121
where: short stacking energy: -505.363
Base-Backbone interact. energy: 0.690
local terms energy: -623.866221
where:
bonds (distance) C4'-P energy: -122.066
bonds (distance) P-C4' energy: -133.993
flat angles C4'-P-C4' energy: -138.503
flat angles P-C4'-P energy: -93.502
tors. eta vs tors. theta energy: -135.802
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: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1541.335632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.335632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.335632 (E_RNA)
where:
Base-Base interactions energy: -997.775
where: short stacking energy: -437.922
Base-Backbone interact. energy: -2.767
local terms energy: -540.793427
where:
bonds (distance) C4'-P energy: -105.900
bonds (distance) P-C4' energy: -118.921
flat angles C4'-P-C4' energy: -118.776
flat angles P-C4'-P energy: -84.741
tors. eta vs tors. theta energy: -112.455
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: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1451.518571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.518571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.518571 (E_RNA)
where:
Base-Base interactions energy: -896.609
where: short stacking energy: -402.103
Base-Backbone interact. energy: 0.243
local terms energy: -555.152920
where:
bonds (distance) C4'-P energy: -115.096
bonds (distance) P-C4' energy: -120.206
flat angles C4'-P-C4' energy: -123.924
flat angles P-C4'-P energy: -87.517
tors. eta vs tors. theta energy: -108.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1227.306888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.306888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.306888 (E_RNA)
where:
Base-Base interactions energy: -700.312
where: short stacking energy: -360.213
Base-Backbone interact. energy: -2.140
local terms energy: -524.854523
where:
bonds (distance) C4'-P energy: -128.827
bonds (distance) P-C4' energy: -132.854
flat angles C4'-P-C4' energy: -125.435
flat angles P-C4'-P energy: -60.458
tors. eta vs tors. theta energy: -77.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -961.211257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.211257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.211257 (E_RNA)
where:
Base-Base interactions energy: -483.831
where: short stacking energy: -273.266
Base-Backbone interact. energy: 1.874
local terms energy: -479.254300
where:
bonds (distance) C4'-P energy: -106.473
bonds (distance) P-C4' energy: -130.224
flat angles C4'-P-C4' energy: -122.891
flat angles P-C4'-P energy: -62.602
tors. eta vs tors. theta energy: -57.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -835.431122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.431122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.431122 (E_RNA)
where:
Base-Base interactions energy: -426.998
where: short stacking energy: -237.319
Base-Backbone interact. energy: -1.969
local terms energy: -406.463300
where:
bonds (distance) C4'-P energy: -108.260
bonds (distance) P-C4' energy: -100.400
flat angles C4'-P-C4' energy: -110.855
flat angles P-C4'-P energy: -69.127
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -779.942105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.942105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.942105 (E_RNA)
where:
Base-Base interactions energy: -426.418
where: short stacking energy: -227.020
Base-Backbone interact. energy: 2.041
local terms energy: -355.565036
where:
bonds (distance) C4'-P energy: -90.491
bonds (distance) P-C4' energy: -109.010
flat angles C4'-P-C4' energy: -90.805
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -26.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -472.305087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.305087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.305087 (E_RNA)
where:
Base-Base interactions energy: -137.833
where: short stacking energy: -121.501
Base-Backbone interact. energy: -4.764
local terms energy: -329.708676
where:
bonds (distance) C4'-P energy: -110.743
bonds (distance) P-C4' energy: -102.425
flat angles C4'-P-C4' energy: -95.309
flat angles P-C4'-P energy: -56.369
tors. eta vs tors. theta energy: 35.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -458.691777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.691777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.691777 (E_RNA)
where:
Base-Base interactions energy: -159.794
where: short stacking energy: -154.406
Base-Backbone interact. energy: 0.416
local terms energy: -299.312799
where:
bonds (distance) C4'-P energy: -89.720
bonds (distance) P-C4' energy: -106.484
flat angles C4'-P-C4' energy: -76.728
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: 14.606
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: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1775.199449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.199449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.199449 (E_RNA)
where:
Base-Base interactions energy: -1154.346
where: short stacking energy: -467.360
Base-Backbone interact. energy: -4.323
local terms energy: -616.531045
where:
bonds (distance) C4'-P energy: -129.523
bonds (distance) P-C4' energy: -137.245
flat angles C4'-P-C4' energy: -132.706
flat angles P-C4'-P energy: -90.037
tors. eta vs tors. theta energy: -127.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1697.969631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.969631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.969631 (E_RNA)
where:
Base-Base interactions energy: -1081.947
where: short stacking energy: -474.445
Base-Backbone interact. energy: -2.223
local terms energy: -613.799155
where:
bonds (distance) C4'-P energy: -131.417
bonds (distance) P-C4' energy: -123.478
flat angles C4'-P-C4' energy: -136.150
flat angles P-C4'-P energy: -81.002
tors. eta vs tors. theta energy: -141.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1598.060104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.060104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.060104 (E_RNA)
where:
Base-Base interactions energy: -1054.541
where: short stacking energy: -444.565
Base-Backbone interact. energy: -2.598
local terms energy: -540.921502
where:
bonds (distance) C4'-P energy: -111.553
bonds (distance) P-C4' energy: -119.451
flat angles C4'-P-C4' energy: -119.794
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -107.566
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: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1417.914886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.914886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.914886 (E_RNA)
where:
Base-Base interactions energy: -894.497
where: short stacking energy: -384.752
Base-Backbone interact. energy: -3.660
local terms energy: -519.758191
where:
bonds (distance) C4'-P energy: -105.536
bonds (distance) P-C4' energy: -115.829
flat angles C4'-P-C4' energy: -121.955
flat angles P-C4'-P energy: -86.938
tors. eta vs tors. theta energy: -89.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1303.986460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.986460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.986460 (E_RNA)
where:
Base-Base interactions energy: -770.375
where: short stacking energy: -396.975
Base-Backbone interact. energy: -1.002
local terms energy: -532.609574
where:
bonds (distance) C4'-P energy: -97.035
bonds (distance) P-C4' energy: -123.200
flat angles C4'-P-C4' energy: -122.758
flat angles P-C4'-P energy: -74.891
tors. eta vs tors. theta energy: -114.726
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -931.670505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.670505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.670505 (E_RNA)
where:
Base-Base interactions energy: -484.123
where: short stacking energy: -275.245
Base-Backbone interact. energy: 0.120
local terms energy: -447.667411
where:
bonds (distance) C4'-P energy: -105.931
bonds (distance) P-C4' energy: -120.682
flat angles C4'-P-C4' energy: -116.282
flat angles P-C4'-P energy: -58.055
tors. eta vs tors. theta energy: -46.717
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: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -841.036620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.036620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.036620 (E_RNA)
where:
Base-Base interactions energy: -447.601
where: short stacking energy: -256.541
Base-Backbone interact. energy: 9.628
local terms energy: -403.063983
where:
bonds (distance) C4'-P energy: -91.086
bonds (distance) P-C4' energy: -112.989
flat angles C4'-P-C4' energy: -97.966
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -28.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -789.610203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.610203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.610203 (E_RNA)
where:
Base-Base interactions energy: -398.349
where: short stacking energy: -233.086
Base-Backbone interact. energy: -0.890
local terms energy: -390.370783
where:
bonds (distance) C4'-P energy: -81.831
bonds (distance) P-C4' energy: -112.634
flat angles C4'-P-C4' energy: -114.669
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -501.827802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.827802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.827802 (E_RNA)
where:
Base-Base interactions energy: -149.356
where: short stacking energy: -120.548
Base-Backbone interact. energy: 4.390
local terms energy: -356.862171
where:
bonds (distance) C4'-P energy: -104.859
bonds (distance) P-C4' energy: -113.089
flat angles C4'-P-C4' energy: -96.747
flat angles P-C4'-P energy: -57.017
tors. eta vs tors. theta energy: 14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -463.037126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.037126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.037126 (E_RNA)
where:
Base-Base interactions energy: -132.549
where: short stacking energy: -114.649
Base-Backbone interact. energy: -0.191
local terms energy: -330.296495
where:
bonds (distance) C4'-P energy: -109.340
bonds (distance) P-C4' energy: -97.111
flat angles C4'-P-C4' energy: -108.162
flat angles P-C4'-P energy: -39.974
tors. eta vs tors. theta energy: 24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1773.778220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.778220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.778220 (E_RNA)
where:
Base-Base interactions energy: -1181.155
where: short stacking energy: -479.439
Base-Backbone interact. energy: -3.951
local terms energy: -588.671989
where:
bonds (distance) C4'-P energy: -118.721
bonds (distance) P-C4' energy: -127.917
flat angles C4'-P-C4' energy: -126.483
flat angles P-C4'-P energy: -79.666
tors. eta vs tors. theta energy: -135.885
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: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1689.319494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.319494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.319494 (E_RNA)
where:
Base-Base interactions energy: -1103.875
where: short stacking energy: -480.982
Base-Backbone interact. energy: -4.666
local terms energy: -580.779029
where:
bonds (distance) C4'-P energy: -116.053
bonds (distance) P-C4' energy: -120.821
flat angles C4'-P-C4' energy: -127.795
flat angles P-C4'-P energy: -85.038
tors. eta vs tors. theta energy: -131.072
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1652.499178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.499178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.499178 (E_RNA)
where:
Base-Base interactions energy: -1081.501
where: short stacking energy: -451.796
Base-Backbone interact. energy: -2.742
local terms energy: -568.257164
where:
bonds (distance) C4'-P energy: -115.700
bonds (distance) P-C4' energy: -119.232
flat angles C4'-P-C4' energy: -127.875
flat angles P-C4'-P energy: -74.475
tors. eta vs tors. theta energy: -130.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1419.031710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.031710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.031710 (E_RNA)
where:
Base-Base interactions energy: -897.181
where: short stacking energy: -399.539
Base-Backbone interact. energy: -1.752
local terms energy: -520.099244
where:
bonds (distance) C4'-P energy: -132.107
bonds (distance) P-C4' energy: -95.636
flat angles C4'-P-C4' energy: -120.844
flat angles P-C4'-P energy: -76.571
tors. eta vs tors. theta energy: -94.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1277.999350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.999350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.999350 (E_RNA)
where:
Base-Base interactions energy: -775.362
where: short stacking energy: -349.142
Base-Backbone interact. energy: 0.734
local terms energy: -503.371710
where:
bonds (distance) C4'-P energy: -109.017
bonds (distance) P-C4' energy: -121.310
flat angles C4'-P-C4' energy: -113.270
flat angles P-C4'-P energy: -63.278
tors. eta vs tors. theta energy: -96.496
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: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -895.309488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.309488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.309488 (E_RNA)
where:
Base-Base interactions energy: -445.978
where: short stacking energy: -258.232
Base-Backbone interact. energy: -1.157
local terms energy: -448.173880
where:
bonds (distance) C4'-P energy: -113.062
bonds (distance) P-C4' energy: -125.254
flat angles C4'-P-C4' energy: -99.462
flat angles P-C4'-P energy: -67.519
tors. eta vs tors. theta energy: -42.877
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: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -870.350585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.350585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.350585 (E_RNA)
where:
Base-Base interactions energy: -442.390
where: short stacking energy: -248.276
Base-Backbone interact. energy: -2.012
local terms energy: -425.948127
where:
bonds (distance) C4'-P energy: -97.212
bonds (distance) P-C4' energy: -118.084
flat angles C4'-P-C4' energy: -109.240
flat angles P-C4'-P energy: -81.596
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -822.436005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.436005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.436005 (E_RNA)
where:
Base-Base interactions energy: -395.640
where: short stacking energy: -222.660
Base-Backbone interact. energy: -2.141
local terms energy: -424.654801
where:
bonds (distance) C4'-P energy: -104.106
bonds (distance) P-C4' energy: -116.950
flat angles C4'-P-C4' energy: -107.758
flat angles P-C4'-P energy: -71.358
tors. eta vs tors. theta energy: -24.483
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: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -470.676079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.676079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.676079 (E_RNA)
where:
Base-Base interactions energy: -121.945
where: short stacking energy: -113.405
Base-Backbone interact. energy: -1.380
local terms energy: -347.350775
where:
bonds (distance) C4'-P energy: -105.527
bonds (distance) P-C4' energy: -118.117
flat angles C4'-P-C4' energy: -103.273
flat angles P-C4'-P energy: -47.201
tors. eta vs tors. theta energy: 26.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -460.509216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.509216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.509216 (E_RNA)
where:
Base-Base interactions energy: -157.752
where: short stacking energy: -128.104
Base-Backbone interact. energy: 0.581
local terms energy: -303.338067
where:
bonds (distance) C4'-P energy: -102.081
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -72.368
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: 16.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1818.038040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.038040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.038040 (E_RNA)
where:
Base-Base interactions energy: -1188.437
where: short stacking energy: -504.460
Base-Backbone interact. energy: -5.861
local terms energy: -623.740361
where:
bonds (distance) C4'-P energy: -134.109
bonds (distance) P-C4' energy: -135.632
flat angles C4'-P-C4' energy: -125.742
flat angles P-C4'-P energy: -81.608
tors. eta vs tors. theta energy: -146.649
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: 27
Temperature: 0.950000
Total energy: -1736.398643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.398643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.398643 (E_RNA)
where:
Base-Base interactions energy: -1138.919
where: short stacking energy: -512.490
Base-Backbone interact. energy: -4.180
local terms energy: -593.299904
where:
bonds (distance) C4'-P energy: -106.244
bonds (distance) P-C4' energy: -115.113
flat angles C4'-P-C4' energy: -138.793
flat angles P-C4'-P energy: -88.348
tors. eta vs tors. theta energy: -144.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1677.422535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.422535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.422535 (E_RNA)
where:
Base-Base interactions energy: -1115.036
where: short stacking energy: -451.948
Base-Backbone interact. energy: -6.163
local terms energy: -556.223551
where:
bonds (distance) C4'-P energy: -115.675
bonds (distance) P-C4' energy: -105.521
flat angles C4'-P-C4' energy: -120.322
flat angles P-C4'-P energy: -96.277
tors. eta vs tors. theta energy: -118.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1375.268713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.268713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.268713 (E_RNA)
where:
Base-Base interactions energy: -860.645
where: short stacking energy: -386.619
Base-Backbone interact. energy: -1.316
local terms energy: -513.307505
where:
bonds (distance) C4'-P energy: -114.202
bonds (distance) P-C4' energy: -113.748
flat angles C4'-P-C4' energy: -121.437
flat angles P-C4'-P energy: -74.354
tors. eta vs tors. theta energy: -89.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1291.200557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.200557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.200557 (E_RNA)
where:
Base-Base interactions energy: -768.008
where: short stacking energy: -340.903
Base-Backbone interact. energy: -2.294
local terms energy: -520.897637
where:
bonds (distance) C4'-P energy: -117.914
bonds (distance) P-C4' energy: -130.269
flat angles C4'-P-C4' energy: -110.460
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -86.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -942.014221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.014221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.014221 (E_RNA)
where:
Base-Base interactions energy: -505.881
where: short stacking energy: -270.214
Base-Backbone interact. energy: -0.264
local terms energy: -435.869475
where:
bonds (distance) C4'-P energy: -122.556
bonds (distance) P-C4' energy: -120.401
flat angles C4'-P-C4' energy: -97.183
flat angles P-C4'-P energy: -57.291
tors. eta vs tors. theta energy: -38.440
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: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -888.367136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.367136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.367136 (E_RNA)
where:
Base-Base interactions energy: -460.506
where: short stacking energy: -228.528
Base-Backbone interact. energy: 2.979
local terms energy: -430.840939
where:
bonds (distance) C4'-P energy: -120.996
bonds (distance) P-C4' energy: -103.090
flat angles C4'-P-C4' energy: -100.757
flat angles P-C4'-P energy: -73.669
tors. eta vs tors. theta energy: -32.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -834.381076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.381076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.381076 (E_RNA)
where:
Base-Base interactions energy: -418.241
where: short stacking energy: -255.222
Base-Backbone interact. energy: 4.563
local terms energy: -420.703182
where:
bonds (distance) C4'-P energy: -102.726
bonds (distance) P-C4' energy: -131.659
flat angles C4'-P-C4' energy: -106.987
flat angles P-C4'-P energy: -54.595
tors. eta vs tors. theta energy: -24.738
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: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -489.035620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.035620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.035620 (E_RNA)
where:
Base-Base interactions energy: -166.199
where: short stacking energy: -134.165
Base-Backbone interact. energy: -2.141
local terms energy: -320.695327
where:
bonds (distance) C4'-P energy: -107.376
bonds (distance) P-C4' energy: -94.913
flat angles C4'-P-C4' energy: -83.448
flat angles P-C4'-P energy: -61.086
tors. eta vs tors. theta energy: 26.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -469.936073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.936073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.936073 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -112.932
Base-Backbone interact. energy: -1.608
local terms energy: -314.702135
where:
bonds (distance) C4'-P energy: -100.635
bonds (distance) P-C4' energy: -107.073
flat angles C4'-P-C4' energy: -85.916
flat angles P-C4'-P energy: -43.865
tors. eta vs tors. theta energy: 22.787
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: 28
Temperature: 0.900000
Total energy: -1801.946098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.946098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.946098 (E_RNA)
where:
Base-Base interactions energy: -1170.513
where: short stacking energy: -495.715
Base-Backbone interact. energy: -3.014
local terms energy: -628.419642
where:
bonds (distance) C4'-P energy: -130.918
bonds (distance) P-C4' energy: -129.376
flat angles C4'-P-C4' energy: -134.873
flat angles P-C4'-P energy: -87.534
tors. eta vs tors. theta energy: -145.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1786.539392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.539392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.539392 (E_RNA)
where:
Base-Base interactions energy: -1162.465
where: short stacking energy: -501.308
Base-Backbone interact. energy: -3.609
local terms energy: -620.465682
where:
bonds (distance) C4'-P energy: -126.526
bonds (distance) P-C4' energy: -137.227
flat angles C4'-P-C4' energy: -127.854
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -136.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1686.826952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.826952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.826952 (E_RNA)
where:
Base-Base interactions energy: -1116.438
where: short stacking energy: -443.754
Base-Backbone interact. energy: -3.718
local terms energy: -566.671024
where:
bonds (distance) C4'-P energy: -117.497
bonds (distance) P-C4' energy: -131.861
flat angles C4'-P-C4' energy: -124.983
flat angles P-C4'-P energy: -74.110
tors. eta vs tors. theta energy: -118.221
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: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1397.513759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.513759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.513759 (E_RNA)
where:
Base-Base interactions energy: -884.988
where: short stacking energy: -409.559
Base-Backbone interact. energy: -2.013
local terms energy: -510.512834
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -116.486
flat angles C4'-P-C4' energy: -123.984
flat angles P-C4'-P energy: -68.026
tors. eta vs tors. theta energy: -94.303
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: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1334.554733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.554733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.554733 (E_RNA)
where:
Base-Base interactions energy: -819.249
where: short stacking energy: -362.915
Base-Backbone interact. energy: -3.244
local terms energy: -512.062036
where:
bonds (distance) C4'-P energy: -112.420
bonds (distance) P-C4' energy: -118.680
flat angles C4'-P-C4' energy: -108.856
flat angles P-C4'-P energy: -77.872
tors. eta vs tors. theta energy: -94.234
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: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -900.624006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.624006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.624006 (E_RNA)
where:
Base-Base interactions energy: -444.001
where: short stacking energy: -239.146
Base-Backbone interact. energy: -2.151
local terms energy: -454.472095
where:
bonds (distance) C4'-P energy: -112.113
bonds (distance) P-C4' energy: -115.213
flat angles C4'-P-C4' energy: -99.652
flat angles P-C4'-P energy: -76.165
tors. eta vs tors. theta energy: -51.328
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: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -869.174858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.174858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.174858 (E_RNA)
where:
Base-Base interactions energy: -436.109
where: short stacking energy: -257.953
Base-Backbone interact. energy: -2.119
local terms energy: -430.946836
where:
bonds (distance) C4'-P energy: -107.404
bonds (distance) P-C4' energy: -111.056
flat angles C4'-P-C4' energy: -96.512
flat angles P-C4'-P energy: -86.575
tors. eta vs tors. theta energy: -29.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -819.697579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.697579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.697579 (E_RNA)
where:
Base-Base interactions energy: -406.403
where: short stacking energy: -216.330
Base-Backbone interact. energy: 6.227
local terms energy: -419.521544
where:
bonds (distance) C4'-P energy: -113.188
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -101.920
flat angles P-C4'-P energy: -61.748
tors. eta vs tors. theta energy: -29.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -497.727117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.727117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.727117 (E_RNA)
where:
Base-Base interactions energy: -156.626
where: short stacking energy: -151.772
Base-Backbone interact. energy: 2.180
local terms energy: -343.281755
where:
bonds (distance) C4'-P energy: -102.611
bonds (distance) P-C4' energy: -115.198
flat angles C4'-P-C4' energy: -85.327
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: 3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -444.851453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.851453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.851453 (E_RNA)
where:
Base-Base interactions energy: -159.782
where: short stacking energy: -122.490
Base-Backbone interact. energy: -1.811
local terms energy: -283.257901
where:
bonds (distance) C4'-P energy: -87.570
bonds (distance) P-C4' energy: -90.501
flat angles C4'-P-C4' energy: -77.603
flat angles P-C4'-P energy: -61.377
tors. eta vs tors. theta energy: 33.793
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: 29
Temperature: 0.900000
Total energy: -1827.384590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.384590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.384590 (E_RNA)
where:
Base-Base interactions energy: -1216.643
where: short stacking energy: -506.815
Base-Backbone interact. energy: -2.942
local terms energy: -607.799496
where:
bonds (distance) C4'-P energy: -131.425
bonds (distance) P-C4' energy: -124.013
flat angles C4'-P-C4' energy: -131.151
flat angles P-C4'-P energy: -87.426
tors. eta vs tors. theta energy: -133.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1808.486744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.486744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.486744 (E_RNA)
where:
Base-Base interactions energy: -1199.409
where: short stacking energy: -536.121
Base-Backbone interact. energy: -2.480
local terms energy: -606.597840
where:
bonds (distance) C4'-P energy: -121.570
bonds (distance) P-C4' energy: -128.491
flat angles C4'-P-C4' energy: -126.584
flat angles P-C4'-P energy: -79.176
tors. eta vs tors. theta energy: -150.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1704.488141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.488141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.488141 (E_RNA)
where:
Base-Base interactions energy: -1142.574
where: short stacking energy: -469.616
Base-Backbone interact. energy: 0.723
local terms energy: -562.636842
where:
bonds (distance) C4'-P energy: -113.634
bonds (distance) P-C4' energy: -122.031
flat angles C4'-P-C4' energy: -120.377
flat angles P-C4'-P energy: -88.941
tors. eta vs tors. theta energy: -117.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1550.574383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.574383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.574383 (E_RNA)
where:
Base-Base interactions energy: -979.509
where: short stacking energy: -450.201
Base-Backbone interact. energy: -1.878
local terms energy: -569.186919
where:
bonds (distance) C4'-P energy: -84.906
bonds (distance) P-C4' energy: -115.055
flat angles C4'-P-C4' energy: -129.701
flat angles P-C4'-P energy: -99.815
tors. eta vs tors. theta energy: -139.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1293.646983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.646983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.646983 (E_RNA)
where:
Base-Base interactions energy: -802.675
where: short stacking energy: -390.415
Base-Backbone interact. energy: -3.534
local terms energy: -487.437818
where:
bonds (distance) C4'-P energy: -98.513
bonds (distance) P-C4' energy: -125.185
flat angles C4'-P-C4' energy: -111.970
flat angles P-C4'-P energy: -68.020
tors. eta vs tors. theta energy: -83.750
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: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -922.884500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.884500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.884500 (E_RNA)
where:
Base-Base interactions energy: -499.416
where: short stacking energy: -273.087
Base-Backbone interact. energy: -1.515
local terms energy: -421.953306
where:
bonds (distance) C4'-P energy: -124.364
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -105.201
flat angles P-C4'-P energy: -62.393
tors. eta vs tors. theta energy: -31.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -939.950373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.950373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.950373 (E_RNA)
where:
Base-Base interactions energy: -494.134
where: short stacking energy: -256.000
Base-Backbone interact. energy: -1.285
local terms energy: -444.531163
where:
bonds (distance) C4'-P energy: -114.660
bonds (distance) P-C4' energy: -109.841
flat angles C4'-P-C4' energy: -99.705
flat angles P-C4'-P energy: -64.097
tors. eta vs tors. theta energy: -56.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -899.004943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.004943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.004943 (E_RNA)
where:
Base-Base interactions energy: -452.160
where: short stacking energy: -244.642
Base-Backbone interact. energy: 4.446
local terms energy: -451.291488
where:
bonds (distance) C4'-P energy: -114.150
bonds (distance) P-C4' energy: -109.916
flat angles C4'-P-C4' energy: -98.226
flat angles P-C4'-P energy: -77.749
tors. eta vs tors. theta energy: -51.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -474.444395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.444395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.444395 (E_RNA)
where:
Base-Base interactions energy: -132.171
where: short stacking energy: -108.035
Base-Backbone interact. energy: 1.709
local terms energy: -343.982490
where:
bonds (distance) C4'-P energy: -100.748
bonds (distance) P-C4' energy: -118.626
flat angles C4'-P-C4' energy: -95.575
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: 19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -456.386045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.386045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.386045 (E_RNA)
where:
Base-Base interactions energy: -155.753
where: short stacking energy: -104.491
Base-Backbone interact. energy: -4.550
local terms energy: -296.083184
where:
bonds (distance) C4'-P energy: -102.946
bonds (distance) P-C4' energy: -99.169
flat angles C4'-P-C4' energy: -80.345
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: 27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1870.887677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.887677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.887677 (E_RNA)
where:
Base-Base interactions energy: -1225.394
where: short stacking energy: -511.154
Base-Backbone interact. energy: 0.454
local terms energy: -645.948332
where:
bonds (distance) C4'-P energy: -124.564
bonds (distance) P-C4' energy: -131.042
flat angles C4'-P-C4' energy: -142.919
flat angles P-C4'-P energy: -97.706
tors. eta vs tors. theta energy: -149.717
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: 30
Temperature: 0.950000
Total energy: -1738.920770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.920770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.920770 (E_RNA)
where:
Base-Base interactions energy: -1156.462
where: short stacking energy: -482.142
Base-Backbone interact. energy: -3.906
local terms energy: -578.553498
where:
bonds (distance) C4'-P energy: -113.275
bonds (distance) P-C4' energy: -131.163
flat angles C4'-P-C4' energy: -131.820
flat angles P-C4'-P energy: -73.615
tors. eta vs tors. theta energy: -128.680
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1761.717445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.717445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.717445 (E_RNA)
where:
Base-Base interactions energy: -1196.038
where: short stacking energy: -531.597
Base-Backbone interact. energy: 0.831
local terms energy: -566.510989
where:
bonds (distance) C4'-P energy: -111.657
bonds (distance) P-C4' energy: -102.485
flat angles C4'-P-C4' energy: -129.991
flat angles P-C4'-P energy: -78.160
tors. eta vs tors. theta energy: -144.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1558.060548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.060548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.060548 (E_RNA)
where:
Base-Base interactions energy: -985.869
where: short stacking energy: -458.488
Base-Backbone interact. energy: -2.737
local terms energy: -569.453865
where:
bonds (distance) C4'-P energy: -105.354
bonds (distance) P-C4' energy: -117.716
flat angles C4'-P-C4' energy: -136.660
flat angles P-C4'-P energy: -68.790
tors. eta vs tors. theta energy: -140.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1327.897265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.897265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.897265 (E_RNA)
where:
Base-Base interactions energy: -810.843
where: short stacking energy: -377.095
Base-Backbone interact. energy: -4.705
local terms energy: -512.349002
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -106.485
flat angles C4'-P-C4' energy: -120.334
flat angles P-C4'-P energy: -75.822
tors. eta vs tors. theta energy: -92.029
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: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -932.522321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.522321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.522321 (E_RNA)
where:
Base-Base interactions energy: -483.654
where: short stacking energy: -248.563
Base-Backbone interact. energy: 0.451
local terms energy: -449.319159
where:
bonds (distance) C4'-P energy: -120.177
bonds (distance) P-C4' energy: -120.669
flat angles C4'-P-C4' energy: -103.039
flat angles P-C4'-P energy: -64.757
tors. eta vs tors. theta energy: -40.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -921.503480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.503480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.503480 (E_RNA)
where:
Base-Base interactions energy: -481.350
where: short stacking energy: -280.689
Base-Backbone interact. energy: 0.145
local terms energy: -440.298190
where:
bonds (distance) C4'-P energy: -94.788
bonds (distance) P-C4' energy: -110.171
flat angles C4'-P-C4' energy: -102.251
flat angles P-C4'-P energy: -69.925
tors. eta vs tors. theta energy: -63.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -860.571553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.571553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.571553 (E_RNA)
where:
Base-Base interactions energy: -465.373
where: short stacking energy: -232.307
Base-Backbone interact. energy: -0.032
local terms energy: -395.167181
where:
bonds (distance) C4'-P energy: -94.797
bonds (distance) P-C4' energy: -106.453
flat angles C4'-P-C4' energy: -92.744
flat angles P-C4'-P energy: -59.965
tors. eta vs tors. theta energy: -41.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -503.551702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.551702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.551702 (E_RNA)
where:
Base-Base interactions energy: -145.892
where: short stacking energy: -121.113
Base-Backbone interact. energy: 1.170
local terms energy: -358.829097
where:
bonds (distance) C4'-P energy: -103.067
bonds (distance) P-C4' energy: -125.352
flat angles C4'-P-C4' energy: -75.731
flat angles P-C4'-P energy: -74.428
tors. eta vs tors. theta energy: 19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -450.703828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.703828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.703828 (E_RNA)
where:
Base-Base interactions energy: -143.721
where: short stacking energy: -108.884
Base-Backbone interact. energy: 3.469
local terms energy: -310.451856
where:
bonds (distance) C4'-P energy: -95.394
bonds (distance) P-C4' energy: -116.065
flat angles C4'-P-C4' energy: -77.331
flat angles P-C4'-P energy: -53.763
tors. eta vs tors. theta energy: 32.101
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: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1922.856723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.856723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.856723 (E_RNA)
where:
Base-Base interactions energy: -1303.898
where: short stacking energy: -547.626
Base-Backbone interact. energy: -2.750
local terms energy: -616.208485
where:
bonds (distance) C4'-P energy: -113.269
bonds (distance) P-C4' energy: -139.116
flat angles C4'-P-C4' energy: -122.280
flat angles P-C4'-P energy: -84.822
tors. eta vs tors. theta energy: -156.721
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: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1848.917636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.917636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.917636 (E_RNA)
where:
Base-Base interactions energy: -1252.280
where: short stacking energy: -538.183
Base-Backbone interact. energy: 0.357
local terms energy: -596.994773
where:
bonds (distance) C4'-P energy: -118.955
bonds (distance) P-C4' energy: -118.218
flat angles C4'-P-C4' energy: -130.098
flat angles P-C4'-P energy: -84.409
tors. eta vs tors. theta energy: -145.314
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1700.167332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.167332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.167332 (E_RNA)
where:
Base-Base interactions energy: -1142.581
where: short stacking energy: -475.173
Base-Backbone interact. energy: -4.929
local terms energy: -552.657909
where:
bonds (distance) C4'-P energy: -117.517
bonds (distance) P-C4' energy: -111.811
flat angles C4'-P-C4' energy: -117.152
flat angles P-C4'-P energy: -81.942
tors. eta vs tors. theta energy: -124.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1566.197262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.197262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.197262 (E_RNA)
where:
Base-Base interactions energy: -992.687
where: short stacking energy: -422.905
Base-Backbone interact. energy: -1.317
local terms energy: -572.193164
where:
bonds (distance) C4'-P energy: -113.066
bonds (distance) P-C4' energy: -121.059
flat angles C4'-P-C4' energy: -126.219
flat angles P-C4'-P energy: -84.444
tors. eta vs tors. theta energy: -127.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1350.586823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.586823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.586823 (E_RNA)
where:
Base-Base interactions energy: -846.077
where: short stacking energy: -383.922
Base-Backbone interact. energy: -2.878
local terms energy: -501.631430
where:
bonds (distance) C4'-P energy: -105.851
bonds (distance) P-C4' energy: -120.596
flat angles C4'-P-C4' energy: -111.536
flat angles P-C4'-P energy: -63.179
tors. eta vs tors. theta energy: -100.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -907.980935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.980935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.980935 (E_RNA)
where:
Base-Base interactions energy: -469.567
where: short stacking energy: -258.701
Base-Backbone interact. energy: -2.933
local terms energy: -435.481554
where:
bonds (distance) C4'-P energy: -86.688
bonds (distance) P-C4' energy: -111.767
flat angles C4'-P-C4' energy: -117.136
flat angles P-C4'-P energy: -73.854
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -910.894955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.894955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.894955 (E_RNA)
where:
Base-Base interactions energy: -478.560
where: short stacking energy: -234.763
Base-Backbone interact. energy: -2.618
local terms energy: -429.716652
where:
bonds (distance) C4'-P energy: -110.667
bonds (distance) P-C4' energy: -113.898
flat angles C4'-P-C4' energy: -114.538
flat angles P-C4'-P energy: -58.725
tors. eta vs tors. theta energy: -31.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -852.320998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.320998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.320998 (E_RNA)
where:
Base-Base interactions energy: -456.714
where: short stacking energy: -228.387
Base-Backbone interact. energy: 0.634
local terms energy: -396.241685
where:
bonds (distance) C4'-P energy: -102.896
bonds (distance) P-C4' energy: -106.619
flat angles C4'-P-C4' energy: -100.135
flat angles P-C4'-P energy: -63.665
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -507.519768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.519768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.519768 (E_RNA)
where:
Base-Base interactions energy: -179.485
where: short stacking energy: -139.756
Base-Backbone interact. energy: 3.533
local terms energy: -331.568075
where:
bonds (distance) C4'-P energy: -98.584
bonds (distance) P-C4' energy: -112.158
flat angles C4'-P-C4' energy: -84.190
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: 14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -431.618677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.618677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.618677 (E_RNA)
where:
Base-Base interactions energy: -142.650
where: short stacking energy: -98.075
Base-Backbone interact. energy: 3.067
local terms energy: -292.036144
where:
bonds (distance) C4'-P energy: -95.404
bonds (distance) P-C4' energy: -107.093
flat angles C4'-P-C4' energy: -74.529
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: 33.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1951.969482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.969482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.969482 (E_RNA)
where:
Base-Base interactions energy: -1322.846
where: short stacking energy: -559.743
Base-Backbone interact. energy: 2.821
local terms energy: -631.944835
where:
bonds (distance) C4'-P energy: -114.619
bonds (distance) P-C4' energy: -123.321
flat angles C4'-P-C4' energy: -147.383
flat angles P-C4'-P energy: -84.400
tors. eta vs tors. theta energy: -162.221
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: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1861.541858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.541858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.541858 (E_RNA)
where:
Base-Base interactions energy: -1235.568
where: short stacking energy: -521.270
Base-Backbone interact. energy: -2.905
local terms energy: -623.068548
where:
bonds (distance) C4'-P energy: -119.345
bonds (distance) P-C4' energy: -131.357
flat angles C4'-P-C4' energy: -138.501
flat angles P-C4'-P energy: -82.367
tors. eta vs tors. theta energy: -151.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1740.823683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.823683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.823683 (E_RNA)
where:
Base-Base interactions energy: -1148.925
where: short stacking energy: -448.982
Base-Backbone interact. energy: -1.304
local terms energy: -590.594293
where:
bonds (distance) C4'-P energy: -123.646
bonds (distance) P-C4' energy: -117.939
flat angles C4'-P-C4' energy: -134.784
flat angles P-C4'-P energy: -79.416
tors. eta vs tors. theta energy: -134.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1601.973272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.973272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.973272 (E_RNA)
where:
Base-Base interactions energy: -1013.413
where: short stacking energy: -480.901
Base-Backbone interact. energy: -2.540
local terms energy: -586.020740
where:
bonds (distance) C4'-P energy: -101.330
bonds (distance) P-C4' energy: -119.509
flat angles C4'-P-C4' energy: -131.776
flat angles P-C4'-P energy: -86.181
tors. eta vs tors. theta energy: -147.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1444.482551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.482551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.482551 (E_RNA)
where:
Base-Base interactions energy: -919.793
where: short stacking energy: -407.448
Base-Backbone interact. energy: -0.919
local terms energy: -523.770497
where:
bonds (distance) C4'-P energy: -112.252
bonds (distance) P-C4' energy: -120.228
flat angles C4'-P-C4' energy: -115.039
flat angles P-C4'-P energy: -65.704
tors. eta vs tors. theta energy: -110.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -889.992954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.992954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.992954 (E_RNA)
where:
Base-Base interactions energy: -450.528
where: short stacking energy: -265.511
Base-Backbone interact. energy: -0.417
local terms energy: -439.048377
where:
bonds (distance) C4'-P energy: -114.364
bonds (distance) P-C4' energy: -111.451
flat angles C4'-P-C4' energy: -111.848
flat angles P-C4'-P energy: -62.606
tors. eta vs tors. theta energy: -38.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -866.720956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.720956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.720956 (E_RNA)
where:
Base-Base interactions energy: -439.409
where: short stacking energy: -209.674
Base-Backbone interact. energy: -0.732
local terms energy: -426.579843
where:
bonds (distance) C4'-P energy: -115.078
bonds (distance) P-C4' energy: -111.037
flat angles C4'-P-C4' energy: -111.353
flat angles P-C4'-P energy: -68.897
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: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -917.173483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.173483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.173483 (E_RNA)
where:
Base-Base interactions energy: -496.916
where: short stacking energy: -275.093
Base-Backbone interact. energy: -0.549
local terms energy: -419.708713
where:
bonds (distance) C4'-P energy: -109.423
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -86.819
flat angles P-C4'-P energy: -74.092
tors. eta vs tors. theta energy: -54.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -555.272924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.272924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.272924 (E_RNA)
where:
Base-Base interactions energy: -169.329
where: short stacking energy: -146.935
Base-Backbone interact. energy: -0.093
local terms energy: -385.851469
where:
bonds (distance) C4'-P energy: -110.593
bonds (distance) P-C4' energy: -115.470
flat angles C4'-P-C4' energy: -92.176
flat angles P-C4'-P energy: -54.878
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -466.877695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.877695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.877695 (E_RNA)
where:
Base-Base interactions energy: -185.404
where: short stacking energy: -129.437
Base-Backbone interact. energy: 0.095
local terms energy: -281.568249
where:
bonds (distance) C4'-P energy: -101.240
bonds (distance) P-C4' energy: -114.978
flat angles C4'-P-C4' energy: -66.792
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: 22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1975.557880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.557880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.557880 (E_RNA)
where:
Base-Base interactions energy: -1315.931
where: short stacking energy: -542.134
Base-Backbone interact. energy: -3.806
local terms energy: -655.820895
where:
bonds (distance) C4'-P energy: -125.499
bonds (distance) P-C4' energy: -130.693
flat angles C4'-P-C4' energy: -145.375
flat angles P-C4'-P energy: -95.903
tors. eta vs tors. theta energy: -158.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1852.400935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.400935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.400935 (E_RNA)
where:
Base-Base interactions energy: -1249.781
where: short stacking energy: -528.090
Base-Backbone interact. energy: 7.545
local terms energy: -610.165075
where:
bonds (distance) C4'-P energy: -108.664
bonds (distance) P-C4' energy: -122.431
flat angles C4'-P-C4' energy: -132.228
flat angles P-C4'-P energy: -93.109
tors. eta vs tors. theta energy: -153.733
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: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1709.104451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.104451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.104451 (E_RNA)
where:
Base-Base interactions energy: -1136.596
where: short stacking energy: -448.470
Base-Backbone interact. energy: -3.705
local terms energy: -568.803123
where:
bonds (distance) C4'-P energy: -99.236
bonds (distance) P-C4' energy: -122.838
flat angles C4'-P-C4' energy: -127.262
flat angles P-C4'-P energy: -85.385
tors. eta vs tors. theta energy: -134.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1650.482239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.482239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.482239 (E_RNA)
where:
Base-Base interactions energy: -1045.754
where: short stacking energy: -487.241
Base-Backbone interact. energy: -0.631
local terms energy: -604.097105
where:
bonds (distance) C4'-P energy: -119.240
bonds (distance) P-C4' energy: -119.509
flat angles C4'-P-C4' energy: -123.613
flat angles P-C4'-P energy: -86.989
tors. eta vs tors. theta energy: -154.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1443.784534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.784534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.784534 (E_RNA)
where:
Base-Base interactions energy: -918.584
where: short stacking energy: -423.193
Base-Backbone interact. energy: 6.149
local terms energy: -531.349063
where:
bonds (distance) C4'-P energy: -103.260
bonds (distance) P-C4' energy: -116.005
flat angles C4'-P-C4' energy: -124.867
flat angles P-C4'-P energy: -70.872
tors. eta vs tors. theta energy: -116.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -924.548409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.548409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.548409 (E_RNA)
where:
Base-Base interactions energy: -498.947
where: short stacking energy: -275.466
Base-Backbone interact. energy: 3.000
local terms energy: -428.601895
where:
bonds (distance) C4'-P energy: -101.891
bonds (distance) P-C4' energy: -105.980
flat angles C4'-P-C4' energy: -118.714
flat angles P-C4'-P energy: -49.901
tors. eta vs tors. theta energy: -52.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -863.450507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.450507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.450507 (E_RNA)
where:
Base-Base interactions energy: -434.722
where: short stacking energy: -241.635
Base-Backbone interact. energy: 0.069
local terms energy: -428.797318
where:
bonds (distance) C4'-P energy: -100.589
bonds (distance) P-C4' energy: -115.822
flat angles C4'-P-C4' energy: -107.087
flat angles P-C4'-P energy: -75.608
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -831.527030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.527030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.527030 (E_RNA)
where:
Base-Base interactions energy: -451.620
where: short stacking energy: -240.820
Base-Backbone interact. energy: -1.532
local terms energy: -378.374862
where:
bonds (distance) C4'-P energy: -90.673
bonds (distance) P-C4' energy: -111.915
flat angles C4'-P-C4' energy: -102.875
flat angles P-C4'-P energy: -45.882
tors. eta vs tors. theta energy: -27.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -497.263909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.263909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.263909 (E_RNA)
where:
Base-Base interactions energy: -166.277
where: short stacking energy: -128.659
Base-Backbone interact. energy: 3.103
local terms energy: -334.090706
where:
bonds (distance) C4'-P energy: -102.511
bonds (distance) P-C4' energy: -102.538
flat angles C4'-P-C4' energy: -102.997
flat angles P-C4'-P energy: -52.877
tors. eta vs tors. theta energy: 26.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -438.469509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.469509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.469509 (E_RNA)
where:
Base-Base interactions energy: -121.622
where: short stacking energy: -107.800
Base-Backbone interact. energy: 3.488
local terms energy: -320.335401
where:
bonds (distance) C4'-P energy: -129.798
bonds (distance) P-C4' energy: -117.073
flat angles C4'-P-C4' energy: -64.930
flat angles P-C4'-P energy: -30.212
tors. eta vs tors. theta energy: 21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1968.182451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.182451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.182451 (E_RNA)
where:
Base-Base interactions energy: -1322.918
where: short stacking energy: -558.355
Base-Backbone interact. energy: -1.379
local terms energy: -643.885876
where:
bonds (distance) C4'-P energy: -125.591
bonds (distance) P-C4' energy: -128.890
flat angles C4'-P-C4' energy: -149.985
flat angles P-C4'-P energy: -86.056
tors. eta vs tors. theta energy: -153.364
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: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1840.681322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.681322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.681322 (E_RNA)
where:
Base-Base interactions energy: -1227.327
where: short stacking energy: -539.377
Base-Backbone interact. energy: 0.862
local terms energy: -614.216654
where:
bonds (distance) C4'-P energy: -132.688
bonds (distance) P-C4' energy: -121.391
flat angles C4'-P-C4' energy: -127.602
flat angles P-C4'-P energy: -81.746
tors. eta vs tors. theta energy: -150.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1725.280015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.280015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.280015 (E_RNA)
where:
Base-Base interactions energy: -1098.302
where: short stacking energy: -503.970
Base-Backbone interact. energy: -2.795
local terms energy: -624.183630
where:
bonds (distance) C4'-P energy: -124.070
bonds (distance) P-C4' energy: -123.453
flat angles C4'-P-C4' energy: -130.274
flat angles P-C4'-P energy: -86.999
tors. eta vs tors. theta energy: -159.388
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: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1624.397491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.397491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.397491 (E_RNA)
where:
Base-Base interactions energy: -1104.894
where: short stacking energy: -456.963
Base-Backbone interact. energy: -4.590
local terms energy: -514.912924
where:
bonds (distance) C4'-P energy: -83.711
bonds (distance) P-C4' energy: -102.337
flat angles C4'-P-C4' energy: -124.395
flat angles P-C4'-P energy: -77.088
tors. eta vs tors. theta energy: -127.383
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: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1489.219654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.219654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.219654 (E_RNA)
where:
Base-Base interactions energy: -964.142
where: short stacking energy: -413.413
Base-Backbone interact. energy: -4.307
local terms energy: -520.770327
where:
bonds (distance) C4'-P energy: -102.938
bonds (distance) P-C4' energy: -97.693
flat angles C4'-P-C4' energy: -116.927
flat angles P-C4'-P energy: -87.392
tors. eta vs tors. theta energy: -115.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -957.830498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.830498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.830498 (E_RNA)
where:
Base-Base interactions energy: -489.591
where: short stacking energy: -277.015
Base-Backbone interact. energy: 3.019
local terms energy: -471.258732
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -125.589
flat angles C4'-P-C4' energy: -108.616
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -60.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -889.766495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.766495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.766495 (E_RNA)
where:
Base-Base interactions energy: -471.083
where: short stacking energy: -249.096
Base-Backbone interact. energy: 2.733
local terms energy: -421.416495
where:
bonds (distance) C4'-P energy: -120.888
bonds (distance) P-C4' energy: -118.927
flat angles C4'-P-C4' energy: -96.319
flat angles P-C4'-P energy: -62.883
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -856.825001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.825001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.825001 (E_RNA)
where:
Base-Base interactions energy: -450.853
where: short stacking energy: -242.291
Base-Backbone interact. energy: -0.488
local terms energy: -405.484133
where:
bonds (distance) C4'-P energy: -102.700
bonds (distance) P-C4' energy: -105.711
flat angles C4'-P-C4' energy: -97.412
flat angles P-C4'-P energy: -67.202
tors. eta vs tors. theta energy: -32.459
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: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -500.021408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.021408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.021408 (E_RNA)
where:
Base-Base interactions energy: -169.066
where: short stacking energy: -131.919
Base-Backbone interact. energy: -1.340
local terms energy: -329.615942
where:
bonds (distance) C4'-P energy: -89.669
bonds (distance) P-C4' energy: -120.338
flat angles C4'-P-C4' energy: -92.414
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: 12.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -444.494704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.494704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.494704 (E_RNA)
where:
Base-Base interactions energy: -125.981
where: short stacking energy: -117.349
Base-Backbone interact. energy: -3.462
local terms energy: -315.051517
where:
bonds (distance) C4'-P energy: -93.373
bonds (distance) P-C4' energy: -114.057
flat angles C4'-P-C4' energy: -91.037
flat angles P-C4'-P energy: -45.727
tors. eta vs tors. theta energy: 29.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1982.732119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.732119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.732119 (E_RNA)
where:
Base-Base interactions energy: -1349.756
where: short stacking energy: -568.347
Base-Backbone interact. energy: -2.939
local terms energy: -630.036859
where:
bonds (distance) C4'-P energy: -117.635
bonds (distance) P-C4' energy: -118.364
flat angles C4'-P-C4' energy: -133.284
flat angles P-C4'-P energy: -97.418
tors. eta vs tors. theta energy: -163.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1881.195632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.195632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.195632 (E_RNA)
where:
Base-Base interactions energy: -1249.823
where: short stacking energy: -542.563
Base-Backbone interact. energy: -1.499
local terms energy: -629.873243
where:
bonds (distance) C4'-P energy: -124.777
bonds (distance) P-C4' energy: -117.254
flat angles C4'-P-C4' energy: -140.806
flat angles P-C4'-P energy: -95.974
tors. eta vs tors. theta energy: -151.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1731.525204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.525204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.525204 (E_RNA)
where:
Base-Base interactions energy: -1135.052
where: short stacking energy: -510.158
Base-Backbone interact. energy: -2.232
local terms energy: -594.240714
where:
bonds (distance) C4'-P energy: -121.815
bonds (distance) P-C4' energy: -106.327
flat angles C4'-P-C4' energy: -132.591
flat angles P-C4'-P energy: -80.414
tors. eta vs tors. theta energy: -153.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1599.652080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.652080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.652080 (E_RNA)
where:
Base-Base interactions energy: -1036.469
where: short stacking energy: -432.041
Base-Backbone interact. energy: -4.190
local terms energy: -558.993289
where:
bonds (distance) C4'-P energy: -109.013
bonds (distance) P-C4' energy: -112.624
flat angles C4'-P-C4' energy: -124.536
flat angles P-C4'-P energy: -84.990
tors. eta vs tors. theta energy: -127.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1421.330447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.330447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.330447 (E_RNA)
where:
Base-Base interactions energy: -909.413
where: short stacking energy: -386.621
Base-Backbone interact. energy: 2.897
local terms energy: -514.814574
where:
bonds (distance) C4'-P energy: -115.767
bonds (distance) P-C4' energy: -116.399
flat angles C4'-P-C4' energy: -132.029
flat angles P-C4'-P energy: -60.934
tors. eta vs tors. theta energy: -89.685
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: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -963.555092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.555092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.555092 (E_RNA)
where:
Base-Base interactions energy: -495.547
where: short stacking energy: -277.026
Base-Backbone interact. energy: -0.934
local terms energy: -467.073980
where:
bonds (distance) C4'-P energy: -125.873
bonds (distance) P-C4' energy: -116.327
flat angles C4'-P-C4' energy: -102.900
flat angles P-C4'-P energy: -68.540
tors. eta vs tors. theta energy: -53.435
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: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -911.797128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.797128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.797128 (E_RNA)
where:
Base-Base interactions energy: -505.941
where: short stacking energy: -244.809
Base-Backbone interact. energy: -1.568
local terms energy: -404.288626
where:
bonds (distance) C4'-P energy: -107.647
bonds (distance) P-C4' energy: -100.848
flat angles C4'-P-C4' energy: -109.442
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -836.903782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.903782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.903782 (E_RNA)
where:
Base-Base interactions energy: -434.334
where: short stacking energy: -257.554
Base-Backbone interact. energy: 0.113
local terms energy: -402.683395
where:
bonds (distance) C4'-P energy: -109.797
bonds (distance) P-C4' energy: -115.131
flat angles C4'-P-C4' energy: -91.029
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -39.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -478.245649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.245649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.245649 (E_RNA)
where:
Base-Base interactions energy: -116.419
where: short stacking energy: -112.989
Base-Backbone interact. energy: -2.132
local terms energy: -359.694783
where:
bonds (distance) C4'-P energy: -114.693
bonds (distance) P-C4' energy: -119.741
flat angles C4'-P-C4' energy: -97.490
flat angles P-C4'-P energy: -53.226
tors. eta vs tors. theta energy: 25.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -452.680736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.680736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.680736 (E_RNA)
where:
Base-Base interactions energy: -119.681
where: short stacking energy: -90.030
Base-Backbone interact. energy: 0.094
local terms energy: -333.094434
where:
bonds (distance) C4'-P energy: -123.246
bonds (distance) P-C4' energy: -120.854
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: 39.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2040.386751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.386751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.386751 (E_RNA)
where:
Base-Base interactions energy: -1398.924
where: short stacking energy: -577.283
Base-Backbone interact. energy: -3.714
local terms energy: -637.748994
where:
bonds (distance) C4'-P energy: -114.334
bonds (distance) P-C4' energy: -119.494
flat angles C4'-P-C4' energy: -143.523
flat angles P-C4'-P energy: -87.714
tors. eta vs tors. theta energy: -172.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1863.163937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.163937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.163937 (E_RNA)
where:
Base-Base interactions energy: -1266.445
where: short stacking energy: -513.293
Base-Backbone interact. energy: 2.508
local terms energy: -599.226191
where:
bonds (distance) C4'-P energy: -112.308
bonds (distance) P-C4' energy: -119.124
flat angles C4'-P-C4' energy: -122.685
flat angles P-C4'-P energy: -98.230
tors. eta vs tors. theta energy: -146.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1751.015282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.015282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.015282 (E_RNA)
where:
Base-Base interactions energy: -1161.523
where: short stacking energy: -490.714
Base-Backbone interact. energy: -3.806
local terms energy: -585.686462
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -121.576
flat angles C4'-P-C4' energy: -123.606
flat angles P-C4'-P energy: -94.140
tors. eta vs tors. theta energy: -138.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1587.402429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.402429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.402429 (E_RNA)
where:
Base-Base interactions energy: -1057.891
where: short stacking energy: -433.417
Base-Backbone interact. energy: 1.309
local terms energy: -530.820697
where:
bonds (distance) C4'-P energy: -113.954
bonds (distance) P-C4' energy: -105.910
flat angles C4'-P-C4' energy: -118.963
flat angles P-C4'-P energy: -66.661
tors. eta vs tors. theta energy: -125.332
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: 36
Temperature: 1.100000
Total energy: -1435.419355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.419355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.419355 (E_RNA)
where:
Base-Base interactions energy: -902.841
where: short stacking energy: -427.255
Base-Backbone interact. energy: -4.131
local terms energy: -528.447876
where:
bonds (distance) C4'-P energy: -94.696
bonds (distance) P-C4' energy: -116.365
flat angles C4'-P-C4' energy: -114.179
flat angles P-C4'-P energy: -86.406
tors. eta vs tors. theta energy: -116.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -921.030873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.030873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.030873 (E_RNA)
where:
Base-Base interactions energy: -487.011
where: short stacking energy: -242.201
Base-Backbone interact. energy: -1.256
local terms energy: -432.763792
where:
bonds (distance) C4'-P energy: -103.377
bonds (distance) P-C4' energy: -122.081
flat angles C4'-P-C4' energy: -94.330
flat angles P-C4'-P energy: -76.595
tors. eta vs tors. theta energy: -36.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -874.180647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.180647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.180647 (E_RNA)
where:
Base-Base interactions energy: -437.346
where: short stacking energy: -233.009
Base-Backbone interact. energy: -1.545
local terms energy: -435.290108
where:
bonds (distance) C4'-P energy: -116.491
bonds (distance) P-C4' energy: -110.870
flat angles C4'-P-C4' energy: -102.650
flat angles P-C4'-P energy: -67.599
tors. eta vs tors. theta energy: -37.681
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: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -800.524826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.524826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.524826 (E_RNA)
where:
Base-Base interactions energy: -421.184
where: short stacking energy: -209.967
Base-Backbone interact. energy: -2.030
local terms energy: -377.310759
where:
bonds (distance) C4'-P energy: -104.654
bonds (distance) P-C4' energy: -98.289
flat angles C4'-P-C4' energy: -104.398
flat angles P-C4'-P energy: -49.626
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -497.893835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.893835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.893835 (E_RNA)
where:
Base-Base interactions energy: -171.897
where: short stacking energy: -153.888
Base-Backbone interact. energy: 2.888
local terms energy: -328.885152
where:
bonds (distance) C4'-P energy: -109.023
bonds (distance) P-C4' energy: -112.386
flat angles C4'-P-C4' energy: -74.341
flat angles P-C4'-P energy: -45.460
tors. eta vs tors. theta energy: 12.324
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: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -447.877630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.877630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.877630 (E_RNA)
where:
Base-Base interactions energy: -145.132
where: short stacking energy: -109.301
Base-Backbone interact. energy: -4.150
local terms energy: -298.594952
where:
bonds (distance) C4'-P energy: -79.962
bonds (distance) P-C4' energy: -87.310
flat angles C4'-P-C4' energy: -99.193
flat angles P-C4'-P energy: -67.737
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: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2036.731023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.731023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.731023 (E_RNA)
where:
Base-Base interactions energy: -1388.884
where: short stacking energy: -584.770
Base-Backbone interact. energy: -2.825
local terms energy: -645.022193
where:
bonds (distance) C4'-P energy: -127.210
bonds (distance) P-C4' energy: -125.845
flat angles C4'-P-C4' energy: -130.852
flat angles P-C4'-P energy: -83.777
tors. eta vs tors. theta energy: -177.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1839.778009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.778009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.778009 (E_RNA)
where:
Base-Base interactions energy: -1240.368
where: short stacking energy: -518.182
Base-Backbone interact. energy: -4.652
local terms energy: -594.758195
where:
bonds (distance) C4'-P energy: -115.581
bonds (distance) P-C4' energy: -113.810
flat angles C4'-P-C4' energy: -139.947
flat angles P-C4'-P energy: -73.912
tors. eta vs tors. theta energy: -151.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1705.626679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.626679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.626679 (E_RNA)
where:
Base-Base interactions energy: -1110.908
where: short stacking energy: -467.155
Base-Backbone interact. energy: -0.224
local terms energy: -594.494346
where:
bonds (distance) C4'-P energy: -114.028
bonds (distance) P-C4' energy: -128.087
flat angles C4'-P-C4' energy: -134.867
flat angles P-C4'-P energy: -86.728
tors. eta vs tors. theta energy: -130.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1586.487903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.487903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.487903 (E_RNA)
where:
Base-Base interactions energy: -1039.867
where: short stacking energy: -448.956
Base-Backbone interact. energy: -4.558
local terms energy: -542.062663
where:
bonds (distance) C4'-P energy: -103.628
bonds (distance) P-C4' energy: -114.009
flat angles C4'-P-C4' energy: -126.592
flat angles P-C4'-P energy: -69.552
tors. eta vs tors. theta energy: -128.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1387.614787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.614787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.614787 (E_RNA)
where:
Base-Base interactions energy: -854.710
where: short stacking energy: -410.887
Base-Backbone interact. energy: 4.376
local terms energy: -537.281091
where:
bonds (distance) C4'-P energy: -107.839
bonds (distance) P-C4' energy: -112.140
flat angles C4'-P-C4' energy: -136.762
flat angles P-C4'-P energy: -75.135
tors. eta vs tors. theta energy: -105.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -955.745617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.745617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.745617 (E_RNA)
where:
Base-Base interactions energy: -531.505
where: short stacking energy: -271.210
Base-Backbone interact. energy: -0.388
local terms energy: -423.852436
where:
bonds (distance) C4'-P energy: -113.326
bonds (distance) P-C4' energy: -108.256
flat angles C4'-P-C4' energy: -86.430
flat angles P-C4'-P energy: -70.176
tors. eta vs tors. theta energy: -45.665
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -925.911741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.911741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.911741 (E_RNA)
where:
Base-Base interactions energy: -491.475
where: short stacking energy: -280.827
Base-Backbone interact. energy: -1.213
local terms energy: -433.223332
where:
bonds (distance) C4'-P energy: -106.761
bonds (distance) P-C4' energy: -109.184
flat angles C4'-P-C4' energy: -100.304
flat angles P-C4'-P energy: -72.559
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -808.086909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.086909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.086909 (E_RNA)
where:
Base-Base interactions energy: -433.955
where: short stacking energy: -229.161
Base-Backbone interact. energy: -0.220
local terms energy: -373.912490
where:
bonds (distance) C4'-P energy: -109.889
bonds (distance) P-C4' energy: -95.927
flat angles C4'-P-C4' energy: -86.120
flat angles P-C4'-P energy: -57.624
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -474.489552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.489552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.489552 (E_RNA)
where:
Base-Base interactions energy: -129.709
where: short stacking energy: -115.717
Base-Backbone interact. energy: 0.196
local terms energy: -344.976722
where:
bonds (distance) C4'-P energy: -107.335
bonds (distance) P-C4' energy: -113.093
flat angles C4'-P-C4' energy: -92.001
flat angles P-C4'-P energy: -46.395
tors. eta vs tors. theta energy: 13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -455.030896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.030896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.030896 (E_RNA)
where:
Base-Base interactions energy: -148.972
where: short stacking energy: -132.300
Base-Backbone interact. energy: -0.147
local terms energy: -305.911908
where:
bonds (distance) C4'-P energy: -82.741
bonds (distance) P-C4' energy: -102.150
flat angles C4'-P-C4' energy: -84.897
flat angles P-C4'-P energy: -57.267
tors. eta vs tors. theta energy: 21.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2072.885386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.885386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.885386 (E_RNA)
where:
Base-Base interactions energy: -1421.514
where: short stacking energy: -566.748
Base-Backbone interact. energy: 2.389
local terms energy: -653.760697
where:
bonds (distance) C4'-P energy: -131.998
bonds (distance) P-C4' energy: -120.974
flat angles C4'-P-C4' energy: -136.567
flat angles P-C4'-P energy: -96.630
tors. eta vs tors. theta energy: -167.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1859.181931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.181931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.181931 (E_RNA)
where:
Base-Base interactions energy: -1257.759
where: short stacking energy: -523.843
Base-Backbone interact. energy: -3.454
local terms energy: -597.969426
where:
bonds (distance) C4'-P energy: -126.589
bonds (distance) P-C4' energy: -117.480
flat angles C4'-P-C4' energy: -121.232
flat angles P-C4'-P energy: -89.486
tors. eta vs tors. theta energy: -143.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1741.239303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.239303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.239303 (E_RNA)
where:
Base-Base interactions energy: -1097.351
where: short stacking energy: -514.514
Base-Backbone interact. energy: -2.514
local terms energy: -641.374549
where:
bonds (distance) C4'-P energy: -123.708
bonds (distance) P-C4' energy: -135.672
flat angles C4'-P-C4' energy: -129.595
flat angles P-C4'-P energy: -80.729
tors. eta vs tors. theta energy: -171.672
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: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1565.949187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.949187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.949187 (E_RNA)
where:
Base-Base interactions energy: -1012.369
where: short stacking energy: -416.344
Base-Backbone interact. energy: -4.615
local terms energy: -548.965352
where:
bonds (distance) C4'-P energy: -106.965
bonds (distance) P-C4' energy: -125.362
flat angles C4'-P-C4' energy: -119.126
flat angles P-C4'-P energy: -85.912
tors. eta vs tors. theta energy: -111.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1370.652878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.652878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.652878 (E_RNA)
where:
Base-Base interactions energy: -863.555
where: short stacking energy: -394.500
Base-Backbone interact. energy: -0.284
local terms energy: -506.813063
where:
bonds (distance) C4'-P energy: -101.964
bonds (distance) P-C4' energy: -114.563
flat angles C4'-P-C4' energy: -115.131
flat angles P-C4'-P energy: -82.661
tors. eta vs tors. theta energy: -92.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -957.832565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.832565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.832565 (E_RNA)
where:
Base-Base interactions energy: -544.196
where: short stacking energy: -249.675
Base-Backbone interact. energy: 0.813
local terms energy: -414.449950
where:
bonds (distance) C4'-P energy: -95.540
bonds (distance) P-C4' energy: -110.098
flat angles C4'-P-C4' energy: -95.981
flat angles P-C4'-P energy: -70.343
tors. eta vs tors. theta energy: -42.487
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -913.129354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.129354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.129354 (E_RNA)
where:
Base-Base interactions energy: -467.097
where: short stacking energy: -245.897
Base-Backbone interact. energy: -2.166
local terms energy: -443.867040
where:
bonds (distance) C4'-P energy: -120.316
bonds (distance) P-C4' energy: -121.201
flat angles C4'-P-C4' energy: -109.962
flat angles P-C4'-P energy: -57.711
tors. eta vs tors. theta energy: -34.678
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: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -818.058748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.058748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.058748 (E_RNA)
where:
Base-Base interactions energy: -423.575
where: short stacking energy: -228.460
Base-Backbone interact. energy: -0.635
local terms energy: -393.848741
where:
bonds (distance) C4'-P energy: -105.095
bonds (distance) P-C4' energy: -118.750
flat angles C4'-P-C4' energy: -98.909
flat angles P-C4'-P energy: -57.840
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -508.435855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.435855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.435855 (E_RNA)
where:
Base-Base interactions energy: -165.796
where: short stacking energy: -142.803
Base-Backbone interact. energy: 5.589
local terms energy: -348.229081
where:
bonds (distance) C4'-P energy: -110.116
bonds (distance) P-C4' energy: -90.925
flat angles C4'-P-C4' energy: -103.076
flat angles P-C4'-P energy: -60.688
tors. eta vs tors. theta energy: 16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -448.753534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.753534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.753534 (E_RNA)
where:
Base-Base interactions energy: -144.702
where: short stacking energy: -140.465
Base-Backbone interact. energy: 7.888
local terms energy: -311.939990
where:
bonds (distance) C4'-P energy: -78.946
bonds (distance) P-C4' energy: -111.413
flat angles C4'-P-C4' energy: -96.917
flat angles P-C4'-P energy: -47.731
tors. eta vs tors. theta energy: 23.067
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: 39
Temperature: 0.900000
Total energy: -2063.827856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.827856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.827856 (E_RNA)
where:
Base-Base interactions energy: -1394.924
where: short stacking energy: -576.731
Base-Backbone interact. energy: -1.512
local terms energy: -667.391492
where:
bonds (distance) C4'-P energy: -122.188
bonds (distance) P-C4' energy: -136.006
flat angles C4'-P-C4' energy: -145.173
flat angles P-C4'-P energy: -85.425
tors. eta vs tors. theta energy: -178.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1883.551991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.551991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.551991 (E_RNA)
where:
Base-Base interactions energy: -1285.008
where: short stacking energy: -541.411
Base-Backbone interact. energy: -2.745
local terms energy: -595.799433
where:
bonds (distance) C4'-P energy: -117.292
bonds (distance) P-C4' energy: -113.547
flat angles C4'-P-C4' energy: -132.234
flat angles P-C4'-P energy: -94.928
tors. eta vs tors. theta energy: -137.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1753.164729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.164729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.164729 (E_RNA)
where:
Base-Base interactions energy: -1146.530
where: short stacking energy: -491.283
Base-Backbone interact. energy: -4.583
local terms energy: -602.051732
where:
bonds (distance) C4'-P energy: -114.817
bonds (distance) P-C4' energy: -119.675
flat angles C4'-P-C4' energy: -142.511
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -147.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1532.657470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.657470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.657470 (E_RNA)
where:
Base-Base interactions energy: -1015.296
where: short stacking energy: -419.012
Base-Backbone interact. energy: 1.665
local terms energy: -519.026544
where:
bonds (distance) C4'-P energy: -112.850
bonds (distance) P-C4' energy: -113.463
flat angles C4'-P-C4' energy: -116.792
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: -98.731
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: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1316.908005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.908005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.908005 (E_RNA)
where:
Base-Base interactions energy: -787.347
where: short stacking energy: -344.087
Base-Backbone interact. energy: -2.663
local terms energy: -526.898641
where:
bonds (distance) C4'-P energy: -119.070
bonds (distance) P-C4' energy: -131.986
flat angles C4'-P-C4' energy: -126.502
flat angles P-C4'-P energy: -66.199
tors. eta vs tors. theta energy: -83.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -994.555850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.555850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.555850 (E_RNA)
where:
Base-Base interactions energy: -530.075
where: short stacking energy: -292.494
Base-Backbone interact. energy: -1.343
local terms energy: -463.137666
where:
bonds (distance) C4'-P energy: -107.528
bonds (distance) P-C4' energy: -112.417
flat angles C4'-P-C4' energy: -105.941
flat angles P-C4'-P energy: -71.310
tors. eta vs tors. theta energy: -65.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -923.199613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.199613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.199613 (E_RNA)
where:
Base-Base interactions energy: -504.925
where: short stacking energy: -238.554
Base-Backbone interact. energy: 1.451
local terms energy: -419.725307
where:
bonds (distance) C4'-P energy: -97.838
bonds (distance) P-C4' energy: -106.229
flat angles C4'-P-C4' energy: -111.642
flat angles P-C4'-P energy: -70.943
tors. eta vs tors. theta energy: -33.073
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: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -862.643812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.643812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.643812 (E_RNA)
where:
Base-Base interactions energy: -472.757
where: short stacking energy: -241.903
Base-Backbone interact. energy: 2.655
local terms energy: -392.541569
where:
bonds (distance) C4'-P energy: -101.288
bonds (distance) P-C4' energy: -92.881
flat angles C4'-P-C4' energy: -89.367
flat angles P-C4'-P energy: -64.604
tors. eta vs tors. theta energy: -44.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -564.852202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.852202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.852202 (E_RNA)
where:
Base-Base interactions energy: -222.855
where: short stacking energy: -134.740
Base-Backbone interact. energy: -0.458
local terms energy: -341.539690
where:
bonds (distance) C4'-P energy: -107.802
bonds (distance) P-C4' energy: -92.679
flat angles C4'-P-C4' energy: -85.952
flat angles P-C4'-P energy: -65.783
tors. eta vs tors. theta energy: 10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -451.698445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.698445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.698445 (E_RNA)
where:
Base-Base interactions energy: -141.935
where: short stacking energy: -135.080
Base-Backbone interact. energy: -0.779
local terms energy: -308.983840
where:
bonds (distance) C4'-P energy: -91.736
bonds (distance) P-C4' energy: -88.855
flat angles C4'-P-C4' energy: -93.845
flat angles P-C4'-P energy: -48.697
tors. eta vs tors. theta energy: 14.149
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: 40
Temperature: 0.900000
Total energy: -2073.036066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.036066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.036066 (E_RNA)
where:
Base-Base interactions energy: -1407.953
where: short stacking energy: -573.976
Base-Backbone interact. energy: -2.735
local terms energy: -662.347854
where:
bonds (distance) C4'-P energy: -127.141
bonds (distance) P-C4' energy: -125.293
flat angles C4'-P-C4' energy: -136.643
flat angles P-C4'-P energy: -96.161
tors. eta vs tors. theta energy: -177.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1889.575290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.575290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.575290 (E_RNA)
where:
Base-Base interactions energy: -1269.685
where: short stacking energy: -519.416
Base-Backbone interact. energy: -0.780
local terms energy: -619.110112
where:
bonds (distance) C4'-P energy: -122.161
bonds (distance) P-C4' energy: -127.825
flat angles C4'-P-C4' energy: -131.472
flat angles P-C4'-P energy: -88.843
tors. eta vs tors. theta energy: -148.809
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: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1750.864309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.864309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.864309 (E_RNA)
where:
Base-Base interactions energy: -1155.842
where: short stacking energy: -505.190
Base-Backbone interact. energy: -0.585
local terms energy: -594.437462
where:
bonds (distance) C4'-P energy: -102.447
bonds (distance) P-C4' energy: -122.486
flat angles C4'-P-C4' energy: -127.344
flat angles P-C4'-P energy: -89.057
tors. eta vs tors. theta energy: -153.104
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: 40
Temperature: 1.050000
Total energy: -1543.517727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.517727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.517727 (E_RNA)
where:
Base-Base interactions energy: -1002.203
where: short stacking energy: -407.236
Base-Backbone interact. energy: -4.356
local terms energy: -536.958966
where:
bonds (distance) C4'-P energy: -108.625
bonds (distance) P-C4' energy: -112.071
flat angles C4'-P-C4' energy: -107.913
flat angles P-C4'-P energy: -92.909
tors. eta vs tors. theta energy: -115.441
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: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1285.933029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.933029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.933029 (E_RNA)
where:
Base-Base interactions energy: -796.486
where: short stacking energy: -354.703
Base-Backbone interact. energy: 1.565
local terms energy: -491.012091
where:
bonds (distance) C4'-P energy: -106.735
bonds (distance) P-C4' energy: -114.429
flat angles C4'-P-C4' energy: -106.746
flat angles P-C4'-P energy: -82.428
tors. eta vs tors. theta energy: -80.675
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: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1015.556097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.556097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.556097 (E_RNA)
where:
Base-Base interactions energy: -530.561
where: short stacking energy: -310.274
Base-Backbone interact. energy: 0.568
local terms energy: -485.562858
where:
bonds (distance) C4'-P energy: -114.572
bonds (distance) P-C4' energy: -119.764
flat angles C4'-P-C4' energy: -107.439
flat angles P-C4'-P energy: -72.340
tors. eta vs tors. theta energy: -71.448
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: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -937.974006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.974006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.974006 (E_RNA)
where:
Base-Base interactions energy: -516.989
where: short stacking energy: -254.823
Base-Backbone interact. energy: -2.680
local terms energy: -418.304517
where:
bonds (distance) C4'-P energy: -82.731
bonds (distance) P-C4' energy: -121.798
flat angles C4'-P-C4' energy: -106.591
flat angles P-C4'-P energy: -74.032
tors. eta vs tors. theta energy: -33.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -767.220894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.220894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.220894 (E_RNA)
where:
Base-Base interactions energy: -372.100
where: short stacking energy: -206.917
Base-Backbone interact. energy: 0.121
local terms energy: -395.241763
where:
bonds (distance) C4'-P energy: -103.971
bonds (distance) P-C4' energy: -120.213
flat angles C4'-P-C4' energy: -101.283
flat angles P-C4'-P energy: -58.747
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -561.863591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.863591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.863591 (E_RNA)
where:
Base-Base interactions energy: -224.164
where: short stacking energy: -154.395
Base-Backbone interact. energy: -0.953
local terms energy: -336.745911
where:
bonds (distance) C4'-P energy: -87.859
bonds (distance) P-C4' energy: -121.878
flat angles C4'-P-C4' energy: -88.106
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -452.991755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.991755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.991755 (E_RNA)
where:
Base-Base interactions energy: -146.056
where: short stacking energy: -116.045
Base-Backbone interact. energy: -0.452
local terms energy: -306.484542
where:
bonds (distance) C4'-P energy: -96.548
bonds (distance) P-C4' energy: -95.997
flat angles C4'-P-C4' energy: -94.418
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: 24.789
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: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2071.608735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.608735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.608735 (E_RNA)
where:
Base-Base interactions energy: -1407.894
where: short stacking energy: -597.444
Base-Backbone interact. energy: -4.217
local terms energy: -659.497078
where:
bonds (distance) C4'-P energy: -120.220
bonds (distance) P-C4' energy: -104.867
flat angles C4'-P-C4' energy: -147.568
flat angles P-C4'-P energy: -100.797
tors. eta vs tors. theta energy: -186.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1888.595282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.595282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.595282 (E_RNA)
where:
Base-Base interactions energy: -1249.674
where: short stacking energy: -527.243
Base-Backbone interact. energy: -2.440
local terms energy: -636.481523
where:
bonds (distance) C4'-P energy: -131.461
bonds (distance) P-C4' energy: -129.543
flat angles C4'-P-C4' energy: -134.080
flat angles P-C4'-P energy: -87.928
tors. eta vs tors. theta energy: -153.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1736.735401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.735401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.735401 (E_RNA)
where:
Base-Base interactions energy: -1145.598
where: short stacking energy: -497.657
Base-Backbone interact. energy: -4.433
local terms energy: -586.704648
where:
bonds (distance) C4'-P energy: -100.440
bonds (distance) P-C4' energy: -118.990
flat angles C4'-P-C4' energy: -128.947
flat angles P-C4'-P energy: -81.350
tors. eta vs tors. theta energy: -156.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1641.825737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.825737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.825737 (E_RNA)
where:
Base-Base interactions energy: -1068.553
where: short stacking energy: -473.302
Base-Backbone interact. energy: -4.705
local terms energy: -568.567686
where:
bonds (distance) C4'-P energy: -110.158
bonds (distance) P-C4' energy: -121.581
flat angles C4'-P-C4' energy: -133.642
flat angles P-C4'-P energy: -78.040
tors. eta vs tors. theta energy: -125.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1332.069162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.069162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.069162 (E_RNA)
where:
Base-Base interactions energy: -819.526
where: short stacking energy: -391.558
Base-Backbone interact. energy: -2.330
local terms energy: -510.213278
where:
bonds (distance) C4'-P energy: -106.809
bonds (distance) P-C4' energy: -108.303
flat angles C4'-P-C4' energy: -121.667
flat angles P-C4'-P energy: -75.716
tors. eta vs tors. theta energy: -97.719
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: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1014.547924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.547924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.547924 (E_RNA)
where:
Base-Base interactions energy: -573.526
where: short stacking energy: -287.749
Base-Backbone interact. energy: 0.889
local terms energy: -441.910497
where:
bonds (distance) C4'-P energy: -106.342
bonds (distance) P-C4' energy: -112.194
flat angles C4'-P-C4' energy: -102.191
flat angles P-C4'-P energy: -67.769
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: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -907.857539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.857539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.857539 (E_RNA)
where:
Base-Base interactions energy: -481.731
where: short stacking energy: -237.998
Base-Backbone interact. energy: 5.497
local terms energy: -431.623087
where:
bonds (distance) C4'-P energy: -114.895
bonds (distance) P-C4' energy: -103.762
flat angles C4'-P-C4' energy: -110.821
flat angles P-C4'-P energy: -64.290
tors. eta vs tors. theta energy: -37.856
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: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -798.522372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.522372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.522372 (E_RNA)
where:
Base-Base interactions energy: -413.783
where: short stacking energy: -206.002
Base-Backbone interact. energy: 1.273
local terms energy: -386.011693
where:
bonds (distance) C4'-P energy: -103.502
bonds (distance) P-C4' energy: -115.134
flat angles C4'-P-C4' energy: -101.855
flat angles P-C4'-P energy: -51.681
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -585.410149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.410149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.410149 (E_RNA)
where:
Base-Base interactions energy: -221.590
where: short stacking energy: -166.231
Base-Backbone interact. energy: -2.081
local terms energy: -361.739684
where:
bonds (distance) C4'-P energy: -106.493
bonds (distance) P-C4' energy: -102.025
flat angles C4'-P-C4' energy: -105.762
flat angles P-C4'-P energy: -54.290
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: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -472.491849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.491849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.491849 (E_RNA)
where:
Base-Base interactions energy: -116.468
where: short stacking energy: -94.374
Base-Backbone interact. energy: 5.745
local terms energy: -361.769216
where:
bonds (distance) C4'-P energy: -112.765
bonds (distance) P-C4' energy: -113.216
flat angles C4'-P-C4' energy: -86.501
flat angles P-C4'-P energy: -75.409
tors. eta vs tors. theta energy: 26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2086.509415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.509415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.509415 (E_RNA)
where:
Base-Base interactions energy: -1428.265
where: short stacking energy: -597.609
Base-Backbone interact. energy: -4.555
local terms energy: -653.689236
where:
bonds (distance) C4'-P energy: -124.039
bonds (distance) P-C4' energy: -126.527
flat angles C4'-P-C4' energy: -132.749
flat angles P-C4'-P energy: -95.814
tors. eta vs tors. theta energy: -174.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1878.678501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.678501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.678501 (E_RNA)
where:
Base-Base interactions energy: -1251.880
where: short stacking energy: -551.879
Base-Backbone interact. energy: -3.745
local terms energy: -623.052914
where:
bonds (distance) C4'-P energy: -119.387
bonds (distance) P-C4' energy: -112.247
flat angles C4'-P-C4' energy: -132.525
flat angles P-C4'-P energy: -95.989
tors. eta vs tors. theta energy: -162.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1741.202651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.202651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.202651 (E_RNA)
where:
Base-Base interactions energy: -1149.092
where: short stacking energy: -500.967
Base-Backbone interact. energy: -3.427
local terms energy: -588.683535
where:
bonds (distance) C4'-P energy: -98.322
bonds (distance) P-C4' energy: -112.747
flat angles C4'-P-C4' energy: -122.314
flat angles P-C4'-P energy: -96.681
tors. eta vs tors. theta energy: -158.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1491.944927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.944927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.944927 (E_RNA)
where:
Base-Base interactions energy: -990.427
where: short stacking energy: -438.496
Base-Backbone interact. energy: -2.553
local terms energy: -498.965455
where:
bonds (distance) C4'-P energy: -103.532
bonds (distance) P-C4' energy: -106.131
flat angles C4'-P-C4' energy: -111.245
flat angles P-C4'-P energy: -68.203
tors. eta vs tors. theta energy: -109.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1351.621427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.621427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.621427 (E_RNA)
where:
Base-Base interactions energy: -851.964
where: short stacking energy: -404.404
Base-Backbone interact. energy: 6.695
local terms energy: -506.352374
where:
bonds (distance) C4'-P energy: -94.455
bonds (distance) P-C4' energy: -101.837
flat angles C4'-P-C4' energy: -119.955
flat angles P-C4'-P energy: -74.459
tors. eta vs tors. theta energy: -115.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1015.735552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.735552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.735552 (E_RNA)
where:
Base-Base interactions energy: -587.183
where: short stacking energy: -280.157
Base-Backbone interact. energy: -1.785
local terms energy: -426.767776
where:
bonds (distance) C4'-P energy: -106.632
bonds (distance) P-C4' energy: -101.874
flat angles C4'-P-C4' energy: -122.017
flat angles P-C4'-P energy: -53.250
tors. eta vs tors. theta energy: -42.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -956.191093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.191093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.191093 (E_RNA)
where:
Base-Base interactions energy: -551.886
where: short stacking energy: -273.681
Base-Backbone interact. energy: -1.841
local terms energy: -402.463796
where:
bonds (distance) C4'-P energy: -82.790
bonds (distance) P-C4' energy: -105.032
flat angles C4'-P-C4' energy: -110.720
flat angles P-C4'-P energy: -62.818
tors. eta vs tors. theta energy: -41.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -808.318042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.318042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.318042 (E_RNA)
where:
Base-Base interactions energy: -409.525
where: short stacking energy: -220.349
Base-Backbone interact. energy: -1.190
local terms energy: -397.603661
where:
bonds (distance) C4'-P energy: -103.117
bonds (distance) P-C4' energy: -107.138
flat angles C4'-P-C4' energy: -87.994
flat angles P-C4'-P energy: -69.892
tors. eta vs tors. theta energy: -29.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -548.686909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.686909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.686909 (E_RNA)
where:
Base-Base interactions energy: -214.130
where: short stacking energy: -135.605
Base-Backbone interact. energy: 1.847
local terms energy: -336.404258
where:
bonds (distance) C4'-P energy: -97.257
bonds (distance) P-C4' energy: -122.586
flat angles C4'-P-C4' energy: -99.552
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: 25.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -452.212083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.212083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.212083 (E_RNA)
where:
Base-Base interactions energy: -144.571
where: short stacking energy: -126.282
Base-Backbone interact. energy: -1.806
local terms energy: -305.834804
where:
bonds (distance) C4'-P energy: -95.575
bonds (distance) P-C4' energy: -113.572
flat angles C4'-P-C4' energy: -83.619
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: 28.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2078.886148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.886148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.886148 (E_RNA)
where:
Base-Base interactions energy: -1434.799
where: short stacking energy: -593.040
Base-Backbone interact. energy: -2.644
local terms energy: -641.442647
where:
bonds (distance) C4'-P energy: -116.776
bonds (distance) P-C4' energy: -132.838
flat angles C4'-P-C4' energy: -132.934
flat angles P-C4'-P energy: -90.975
tors. eta vs tors. theta energy: -167.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1874.101324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.101324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.101324 (E_RNA)
where:
Base-Base interactions energy: -1240.293
where: short stacking energy: -529.998
Base-Backbone interact. energy: -0.797
local terms energy: -633.011932
where:
bonds (distance) C4'-P energy: -108.434
bonds (distance) P-C4' energy: -146.841
flat angles C4'-P-C4' energy: -135.907
flat angles P-C4'-P energy: -90.556
tors. eta vs tors. theta energy: -151.274
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1689.059422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.059422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.059422 (E_RNA)
where:
Base-Base interactions energy: -1095.826
where: short stacking energy: -488.153
Base-Backbone interact. energy: -1.703
local terms energy: -591.531005
where:
bonds (distance) C4'-P energy: -122.543
bonds (distance) P-C4' energy: -115.591
flat angles C4'-P-C4' energy: -136.761
flat angles P-C4'-P energy: -72.679
tors. eta vs tors. theta energy: -143.957
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: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1519.399719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.399719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.399719 (E_RNA)
where:
Base-Base interactions energy: -998.396
where: short stacking energy: -450.941
Base-Backbone interact. energy: -1.925
local terms energy: -519.078157
where:
bonds (distance) C4'-P energy: -110.512
bonds (distance) P-C4' energy: -108.051
flat angles C4'-P-C4' energy: -118.214
flat angles P-C4'-P energy: -68.715
tors. eta vs tors. theta energy: -113.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1335.029159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.029159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.029159 (E_RNA)
where:
Base-Base interactions energy: -813.845
where: short stacking energy: -361.335
Base-Backbone interact. energy: -1.547
local terms energy: -519.636390
where:
bonds (distance) C4'-P energy: -111.764
bonds (distance) P-C4' energy: -118.091
flat angles C4'-P-C4' energy: -113.478
flat angles P-C4'-P energy: -82.608
tors. eta vs tors. theta energy: -93.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1016.818016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.818016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.818016 (E_RNA)
where:
Base-Base interactions energy: -531.638
where: short stacking energy: -290.113
Base-Backbone interact. energy: -1.335
local terms energy: -483.845183
where:
bonds (distance) C4'-P energy: -99.930
bonds (distance) P-C4' energy: -122.681
flat angles C4'-P-C4' energy: -126.263
flat angles P-C4'-P energy: -83.081
tors. eta vs tors. theta energy: -51.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -982.300555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.300555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.300555 (E_RNA)
where:
Base-Base interactions energy: -558.867
where: short stacking energy: -287.372
Base-Backbone interact. energy: 6.461
local terms energy: -429.894921
where:
bonds (distance) C4'-P energy: -113.079
bonds (distance) P-C4' energy: -117.624
flat angles C4'-P-C4' energy: -102.399
flat angles P-C4'-P energy: -70.775
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -771.163958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.163958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.163958 (E_RNA)
where:
Base-Base interactions energy: -375.512
where: short stacking energy: -222.549
Base-Backbone interact. energy: 1.406
local terms energy: -397.057532
where:
bonds (distance) C4'-P energy: -85.653
bonds (distance) P-C4' energy: -113.661
flat angles C4'-P-C4' energy: -103.153
flat angles P-C4'-P energy: -62.143
tors. eta vs tors. theta energy: -32.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -574.133618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.133618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.133618 (E_RNA)
where:
Base-Base interactions energy: -209.700
where: short stacking energy: -136.311
Base-Backbone interact. energy: -3.026
local terms energy: -361.407403
where:
bonds (distance) C4'-P energy: -109.363
bonds (distance) P-C4' energy: -108.378
flat angles C4'-P-C4' energy: -110.243
flat angles P-C4'-P energy: -50.633
tors. eta vs tors. theta energy: 17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -445.664697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.664697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.664697 (E_RNA)
where:
Base-Base interactions energy: -136.684
where: short stacking energy: -100.925
Base-Backbone interact. energy: 6.011
local terms energy: -314.991672
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -83.050
flat angles P-C4'-P energy: -58.921
tors. eta vs tors. theta energy: 21.419
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: 44
Temperature: 0.900000
Total energy: -2083.500840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.500840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.500840 (E_RNA)
where:
Base-Base interactions energy: -1420.099
where: short stacking energy: -607.674
Base-Backbone interact. energy: -2.161
local terms energy: -661.241286
where:
bonds (distance) C4'-P energy: -115.214
bonds (distance) P-C4' energy: -124.407
flat angles C4'-P-C4' energy: -143.486
flat angles P-C4'-P energy: -89.104
tors. eta vs tors. theta energy: -189.030
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: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1888.633238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.633238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.633238 (E_RNA)
where:
Base-Base interactions energy: -1251.818
where: short stacking energy: -558.249
Base-Backbone interact. energy: -1.507
local terms energy: -635.308288
where:
bonds (distance) C4'-P energy: -119.105
bonds (distance) P-C4' energy: -119.571
flat angles C4'-P-C4' energy: -147.105
flat angles P-C4'-P energy: -85.684
tors. eta vs tors. theta energy: -163.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1735.108332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.108332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.108332 (E_RNA)
where:
Base-Base interactions energy: -1116.354
where: short stacking energy: -512.179
Base-Backbone interact. energy: 0.441
local terms energy: -619.195724
where:
bonds (distance) C4'-P energy: -121.063
bonds (distance) P-C4' energy: -122.919
flat angles C4'-P-C4' energy: -139.461
flat angles P-C4'-P energy: -82.385
tors. eta vs tors. theta energy: -153.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1518.971581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.971581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.971581 (E_RNA)
where:
Base-Base interactions energy: -972.476
where: short stacking energy: -411.278
Base-Backbone interact. energy: -2.004
local terms energy: -544.491916
where:
bonds (distance) C4'-P energy: -114.494
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -121.580
flat angles P-C4'-P energy: -79.256
tors. eta vs tors. theta energy: -120.765
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: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1341.184626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.184626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.184626 (E_RNA)
where:
Base-Base interactions energy: -826.803
where: short stacking energy: -371.233
Base-Backbone interact. energy: -1.585
local terms energy: -512.797466
where:
bonds (distance) C4'-P energy: -115.579
bonds (distance) P-C4' energy: -113.693
flat angles C4'-P-C4' energy: -115.399
flat angles P-C4'-P energy: -79.118
tors. eta vs tors. theta energy: -89.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1034.190660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.190660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.190660 (E_RNA)
where:
Base-Base interactions energy: -584.385
where: short stacking energy: -313.879
Base-Backbone interact. energy: -0.028
local terms energy: -449.778001
where:
bonds (distance) C4'-P energy: -113.137
bonds (distance) P-C4' energy: -107.008
flat angles C4'-P-C4' energy: -111.979
flat angles P-C4'-P energy: -68.127
tors. eta vs tors. theta energy: -49.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -935.741948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.741948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.741948 (E_RNA)
where:
Base-Base interactions energy: -497.249
where: short stacking energy: -234.750
Base-Backbone interact. energy: -2.977
local terms energy: -435.514968
where:
bonds (distance) C4'-P energy: -106.611
bonds (distance) P-C4' energy: -114.382
flat angles C4'-P-C4' energy: -115.304
flat angles P-C4'-P energy: -58.549
tors. eta vs tors. theta energy: -40.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -788.466643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.466643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.466643 (E_RNA)
where:
Base-Base interactions energy: -383.723
where: short stacking energy: -210.607
Base-Backbone interact. energy: 1.376
local terms energy: -406.119175
where:
bonds (distance) C4'-P energy: -120.060
bonds (distance) P-C4' energy: -101.074
flat angles C4'-P-C4' energy: -79.448
flat angles P-C4'-P energy: -65.142
tors. eta vs tors. theta energy: -40.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -572.259906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.259906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.259906 (E_RNA)
where:
Base-Base interactions energy: -236.356
where: short stacking energy: -159.723
Base-Backbone interact. energy: 0.114
local terms energy: -336.017934
where:
bonds (distance) C4'-P energy: -96.535
bonds (distance) P-C4' energy: -110.086
flat angles C4'-P-C4' energy: -67.573
flat angles P-C4'-P energy: -62.076
tors. eta vs tors. theta energy: 0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -462.944913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.944913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.944913 (E_RNA)
where:
Base-Base interactions energy: -162.696
where: short stacking energy: -117.806
Base-Backbone interact. energy: 3.162
local terms energy: -303.411557
where:
bonds (distance) C4'-P energy: -86.465
bonds (distance) P-C4' energy: -117.711
flat angles C4'-P-C4' energy: -86.666
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: 19.442
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: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2103.424362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.424362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.424362 (E_RNA)
where:
Base-Base interactions energy: -1439.717
where: short stacking energy: -601.308
Base-Backbone interact. energy: 0.230
local terms energy: -663.936938
where:
bonds (distance) C4'-P energy: -128.980
bonds (distance) P-C4' energy: -120.537
flat angles C4'-P-C4' energy: -144.719
flat angles P-C4'-P energy: -89.471
tors. eta vs tors. theta energy: -180.230
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: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1930.162249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.162249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.162249 (E_RNA)
where:
Base-Base interactions energy: -1313.757
where: short stacking energy: -554.294
Base-Backbone interact. energy: -2.740
local terms energy: -613.664875
where:
bonds (distance) C4'-P energy: -115.837
bonds (distance) P-C4' energy: -110.965
flat angles C4'-P-C4' energy: -135.206
flat angles P-C4'-P energy: -85.486
tors. eta vs tors. theta energy: -166.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1735.584502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.584502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.584502 (E_RNA)
where:
Base-Base interactions energy: -1137.728
where: short stacking energy: -502.830
Base-Backbone interact. energy: 0.103
local terms energy: -597.959380
where:
bonds (distance) C4'-P energy: -115.100
bonds (distance) P-C4' energy: -119.125
flat angles C4'-P-C4' energy: -120.470
flat angles P-C4'-P energy: -93.482
tors. eta vs tors. theta energy: -149.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1501.422309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.422309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.422309 (E_RNA)
where:
Base-Base interactions energy: -963.916
where: short stacking energy: -405.321
Base-Backbone interact. energy: -0.548
local terms energy: -536.957958
where:
bonds (distance) C4'-P energy: -105.288
bonds (distance) P-C4' energy: -124.005
flat angles C4'-P-C4' energy: -123.485
flat angles P-C4'-P energy: -79.576
tors. eta vs tors. theta energy: -104.604
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: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1343.684670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.684670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.684670 (E_RNA)
where:
Base-Base interactions energy: -806.797
where: short stacking energy: -376.602
Base-Backbone interact. energy: -1.535
local terms energy: -535.353015
where:
bonds (distance) C4'-P energy: -97.169
bonds (distance) P-C4' energy: -114.422
flat angles C4'-P-C4' energy: -126.388
flat angles P-C4'-P energy: -90.499
tors. eta vs tors. theta energy: -106.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1083.297863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.297863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.297863 (E_RNA)
where:
Base-Base interactions energy: -587.390
where: short stacking energy: -285.964
Base-Backbone interact. energy: -1.315
local terms energy: -494.592661
where:
bonds (distance) C4'-P energy: -120.391
bonds (distance) P-C4' energy: -127.549
flat angles C4'-P-C4' energy: -110.542
flat angles P-C4'-P energy: -62.500
tors. eta vs tors. theta energy: -73.610
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: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -976.176071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.176071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.176071 (E_RNA)
where:
Base-Base interactions energy: -543.669
where: short stacking energy: -276.578
Base-Backbone interact. energy: -1.171
local terms energy: -431.336779
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -120.823
flat angles C4'-P-C4' energy: -92.484
flat angles P-C4'-P energy: -67.850
tors. eta vs tors. theta energy: -46.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -755.135593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.135593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.135593 (E_RNA)
where:
Base-Base interactions energy: -373.298
where: short stacking energy: -211.994
Base-Backbone interact. energy: -2.728
local terms energy: -379.109198
where:
bonds (distance) C4'-P energy: -105.356
bonds (distance) P-C4' energy: -94.258
flat angles C4'-P-C4' energy: -98.296
flat angles P-C4'-P energy: -66.711
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -619.120533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.120533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.120533 (E_RNA)
where:
Base-Base interactions energy: -262.488
where: short stacking energy: -163.677
Base-Backbone interact. energy: 3.202
local terms energy: -359.835466
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -117.529
flat angles C4'-P-C4' energy: -84.681
flat angles P-C4'-P energy: -61.459
tors. eta vs tors. theta energy: -7.525
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: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -451.134603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.134603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.134603 (E_RNA)
where:
Base-Base interactions energy: -128.619
where: short stacking energy: -110.489
Base-Backbone interact. energy: 2.037
local terms energy: -324.552245
where:
bonds (distance) C4'-P energy: -102.817
bonds (distance) P-C4' energy: -113.453
flat angles C4'-P-C4' energy: -86.433
flat angles P-C4'-P energy: -59.721
tors. eta vs tors. theta energy: 37.871
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: 46
Temperature: 0.900000
Total energy: -2087.516026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.516026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.516026 (E_RNA)
where:
Base-Base interactions energy: -1433.124
where: short stacking energy: -585.911
Base-Backbone interact. energy: -0.745
local terms energy: -653.647260
where:
bonds (distance) C4'-P energy: -131.791
bonds (distance) P-C4' energy: -128.139
flat angles C4'-P-C4' energy: -132.007
flat angles P-C4'-P energy: -94.453
tors. eta vs tors. theta energy: -167.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1922.011325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.011325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.011325 (E_RNA)
where:
Base-Base interactions energy: -1247.668
where: short stacking energy: -542.672
Base-Backbone interact. energy: -4.596
local terms energy: -669.746425
where:
bonds (distance) C4'-P energy: -129.563
bonds (distance) P-C4' energy: -138.757
flat angles C4'-P-C4' energy: -140.091
flat angles P-C4'-P energy: -98.129
tors. eta vs tors. theta energy: -163.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1747.396464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.396464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.396464 (E_RNA)
where:
Base-Base interactions energy: -1122.841
where: short stacking energy: -525.620
Base-Backbone interact. energy: -2.059
local terms energy: -622.496150
where:
bonds (distance) C4'-P energy: -121.947
bonds (distance) P-C4' energy: -116.852
flat angles C4'-P-C4' energy: -122.834
flat angles P-C4'-P energy: -99.672
tors. eta vs tors. theta energy: -161.191
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: 46
Temperature: 1.050000
Total energy: -1498.596567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.596567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.596567 (E_RNA)
where:
Base-Base interactions energy: -959.322
where: short stacking energy: -413.963
Base-Backbone interact. energy: 1.359
local terms energy: -540.633831
where:
bonds (distance) C4'-P energy: -123.052
bonds (distance) P-C4' energy: -117.177
flat angles C4'-P-C4' energy: -120.793
flat angles P-C4'-P energy: -62.883
tors. eta vs tors. theta energy: -116.729
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: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1379.223083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.223083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.223083 (E_RNA)
where:
Base-Base interactions energy: -860.198
where: short stacking energy: -396.515
Base-Backbone interact. energy: 1.163
local terms energy: -520.188259
where:
bonds (distance) C4'-P energy: -94.320
bonds (distance) P-C4' energy: -126.048
flat angles C4'-P-C4' energy: -120.595
flat angles P-C4'-P energy: -84.735
tors. eta vs tors. theta energy: -94.490
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: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1072.255315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.255315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.255315 (E_RNA)
where:
Base-Base interactions energy: -611.974
where: short stacking energy: -284.251
Base-Backbone interact. energy: 1.315
local terms energy: -461.596228
where:
bonds (distance) C4'-P energy: -101.209
bonds (distance) P-C4' energy: -127.931
flat angles C4'-P-C4' energy: -104.169
flat angles P-C4'-P energy: -72.243
tors. eta vs tors. theta energy: -56.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1016.526035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.526035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.526035 (E_RNA)
where:
Base-Base interactions energy: -577.155
where: short stacking energy: -303.926
Base-Backbone interact. energy: -0.840
local terms energy: -438.530551
where:
bonds (distance) C4'-P energy: -109.350
bonds (distance) P-C4' energy: -110.856
flat angles C4'-P-C4' energy: -96.279
flat angles P-C4'-P energy: -54.113
tors. eta vs tors. theta energy: -67.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -784.170114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.170114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.170114 (E_RNA)
where:
Base-Base interactions energy: -391.457
where: short stacking energy: -204.459
Base-Backbone interact. energy: -2.013
local terms energy: -390.699968
where:
bonds (distance) C4'-P energy: -102.477
bonds (distance) P-C4' energy: -109.350
flat angles C4'-P-C4' energy: -96.239
flat angles P-C4'-P energy: -73.468
tors. eta vs tors. theta energy: -9.166
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: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -618.896346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.896346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.896346 (E_RNA)
where:
Base-Base interactions energy: -258.510
where: short stacking energy: -167.278
Base-Backbone interact. energy: 1.104
local terms energy: -361.490928
where:
bonds (distance) C4'-P energy: -88.848
bonds (distance) P-C4' energy: -119.812
flat angles C4'-P-C4' energy: -98.627
flat angles P-C4'-P energy: -49.382
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -441.339926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.339926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.339926 (E_RNA)
where:
Base-Base interactions energy: -126.633
where: short stacking energy: -110.124
Base-Backbone interact. energy: 5.646
local terms energy: -320.352707
where:
bonds (distance) C4'-P energy: -107.082
bonds (distance) P-C4' energy: -108.581
flat angles C4'-P-C4' energy: -83.022
flat angles P-C4'-P energy: -52.702
tors. eta vs tors. theta energy: 31.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2103.837449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.837449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.837449 (E_RNA)
where:
Base-Base interactions energy: -1407.754
where: short stacking energy: -610.499
Base-Backbone interact. energy: -5.811
local terms energy: -690.272399
where:
bonds (distance) C4'-P energy: -130.016
bonds (distance) P-C4' energy: -128.517
flat angles C4'-P-C4' energy: -153.692
flat angles P-C4'-P energy: -88.378
tors. eta vs tors. theta energy: -189.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1953.006846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.006846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.006846 (E_RNA)
where:
Base-Base interactions energy: -1329.876
where: short stacking energy: -593.201
Base-Backbone interact. energy: -1.858
local terms energy: -621.273066
where:
bonds (distance) C4'-P energy: -111.702
bonds (distance) P-C4' energy: -107.591
flat angles C4'-P-C4' energy: -139.965
flat angles P-C4'-P energy: -83.914
tors. eta vs tors. theta energy: -178.100
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: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1764.653303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.653303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.653303 (E_RNA)
where:
Base-Base interactions energy: -1163.327
where: short stacking energy: -517.919
Base-Backbone interact. energy: -1.443
local terms energy: -599.882625
where:
bonds (distance) C4'-P energy: -119.618
bonds (distance) P-C4' energy: -112.597
flat angles C4'-P-C4' energy: -127.070
flat angles P-C4'-P energy: -85.010
tors. eta vs tors. theta energy: -155.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1532.153339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.153339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.153339 (E_RNA)
where:
Base-Base interactions energy: -987.006
where: short stacking energy: -451.256
Base-Backbone interact. energy: -3.827
local terms energy: -541.320277
where:
bonds (distance) C4'-P energy: -107.967
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -120.743
flat angles P-C4'-P energy: -73.600
tors. eta vs tors. theta energy: -114.079
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: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1393.847513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.847513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.847513 (E_RNA)
where:
Base-Base interactions energy: -873.392
where: short stacking energy: -383.419
Base-Backbone interact. energy: 2.348
local terms energy: -522.804101
where:
bonds (distance) C4'-P energy: -112.491
bonds (distance) P-C4' energy: -100.426
flat angles C4'-P-C4' energy: -117.037
flat angles P-C4'-P energy: -84.472
tors. eta vs tors. theta energy: -108.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1094.564227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.564227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.564227 (E_RNA)
where:
Base-Base interactions energy: -642.211
where: short stacking energy: -314.892
Base-Backbone interact. energy: 3.381
local terms energy: -455.734265
where:
bonds (distance) C4'-P energy: -105.097
bonds (distance) P-C4' energy: -105.423
flat angles C4'-P-C4' energy: -96.938
flat angles P-C4'-P energy: -74.370
tors. eta vs tors. theta energy: -73.907
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: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1055.568738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.568738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.568738 (E_RNA)
where:
Base-Base interactions energy: -621.463
where: short stacking energy: -291.162
Base-Backbone interact. energy: -1.512
local terms energy: -432.593743
where:
bonds (distance) C4'-P energy: -101.896
bonds (distance) P-C4' energy: -112.061
flat angles C4'-P-C4' energy: -91.687
flat angles P-C4'-P energy: -69.937
tors. eta vs tors. theta energy: -57.012
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: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -831.188908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.188908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.188908 (E_RNA)
where:
Base-Base interactions energy: -440.448
where: short stacking energy: -229.338
Base-Backbone interact. energy: 2.319
local terms energy: -393.060382
where:
bonds (distance) C4'-P energy: -113.842
bonds (distance) P-C4' energy: -100.514
flat angles C4'-P-C4' energy: -86.091
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -35.278
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: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -639.510211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.510211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.510211 (E_RNA)
where:
Base-Base interactions energy: -268.193
where: short stacking energy: -166.687
Base-Backbone interact. energy: -2.103
local terms energy: -369.214641
where:
bonds (distance) C4'-P energy: -115.122
bonds (distance) P-C4' energy: -92.418
flat angles C4'-P-C4' energy: -91.610
flat angles P-C4'-P energy: -59.773
tors. eta vs tors. theta energy: -10.292
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: 47
Temperature: 1.350000
Total energy: -459.684405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.684405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.684405 (E_RNA)
where:
Base-Base interactions energy: -141.137
where: short stacking energy: -105.603
Base-Backbone interact. energy: -2.163
local terms energy: -316.383750
where:
bonds (distance) C4'-P energy: -98.111
bonds (distance) P-C4' energy: -90.178
flat angles C4'-P-C4' energy: -81.698
flat angles P-C4'-P energy: -57.847
tors. eta vs tors. theta energy: 11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2076.725479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.725479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.725479 (E_RNA)
where:
Base-Base interactions energy: -1403.998
where: short stacking energy: -624.790
Base-Backbone interact. energy: -4.445
local terms energy: -668.282797
where:
bonds (distance) C4'-P energy: -128.479
bonds (distance) P-C4' energy: -117.584
flat angles C4'-P-C4' energy: -136.767
flat angles P-C4'-P energy: -93.837
tors. eta vs tors. theta energy: -191.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1924.327577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.327577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.327577 (E_RNA)
where:
Base-Base interactions energy: -1290.176
where: short stacking energy: -536.249
Base-Backbone interact. energy: -3.811
local terms energy: -630.340658
where:
bonds (distance) C4'-P energy: -129.474
bonds (distance) P-C4' energy: -123.630
flat angles C4'-P-C4' energy: -129.013
flat angles P-C4'-P energy: -89.232
tors. eta vs tors. theta energy: -158.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1767.040464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.040464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.040464 (E_RNA)
where:
Base-Base interactions energy: -1143.631
where: short stacking energy: -524.058
Base-Backbone interact. energy: -0.884
local terms energy: -622.525625
where:
bonds (distance) C4'-P energy: -130.979
bonds (distance) P-C4' energy: -118.034
flat angles C4'-P-C4' energy: -137.445
flat angles P-C4'-P energy: -80.138
tors. eta vs tors. theta energy: -155.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1580.636495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.636495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.636495 (E_RNA)
where:
Base-Base interactions energy: -1037.088
where: short stacking energy: -453.700
Base-Backbone interact. energy: -3.126
local terms energy: -540.422347
where:
bonds (distance) C4'-P energy: -93.325
bonds (distance) P-C4' energy: -127.799
flat angles C4'-P-C4' energy: -131.792
flat angles P-C4'-P energy: -60.474
tors. eta vs tors. theta energy: -127.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1416.789534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.789534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.789534 (E_RNA)
where:
Base-Base interactions energy: -882.885
where: short stacking energy: -403.515
Base-Backbone interact. energy: -1.103
local terms energy: -532.801103
where:
bonds (distance) C4'-P energy: -111.176
bonds (distance) P-C4' energy: -117.418
flat angles C4'-P-C4' energy: -122.877
flat angles P-C4'-P energy: -71.870
tors. eta vs tors. theta energy: -109.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1226.975712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.975712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.975712 (E_RNA)
where:
Base-Base interactions energy: -731.776
where: short stacking energy: -360.974
Base-Backbone interact. energy: -0.299
local terms energy: -494.900600
where:
bonds (distance) C4'-P energy: -113.351
bonds (distance) P-C4' energy: -116.463
flat angles C4'-P-C4' energy: -103.557
flat angles P-C4'-P energy: -72.439
tors. eta vs tors. theta energy: -89.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1095.204798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.204798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.204798 (E_RNA)
where:
Base-Base interactions energy: -633.642
where: short stacking energy: -299.420
Base-Backbone interact. energy: 1.685
local terms energy: -463.248020
where:
bonds (distance) C4'-P energy: -109.737
bonds (distance) P-C4' energy: -114.698
flat angles C4'-P-C4' energy: -92.513
flat angles P-C4'-P energy: -75.335
tors. eta vs tors. theta energy: -70.965
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: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -775.093469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.093469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.093469 (E_RNA)
where:
Base-Base interactions energy: -376.134
where: short stacking energy: -199.902
Base-Backbone interact. energy: -0.500
local terms energy: -398.459378
where:
bonds (distance) C4'-P energy: -102.582
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -115.289
flat angles P-C4'-P energy: -71.702
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -643.648652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.648652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.648652 (E_RNA)
where:
Base-Base interactions energy: -288.751
where: short stacking energy: -164.206
Base-Backbone interact. energy: -2.099
local terms energy: -352.798514
where:
bonds (distance) C4'-P energy: -105.227
bonds (distance) P-C4' energy: -106.423
flat angles C4'-P-C4' energy: -95.895
flat angles P-C4'-P energy: -52.141
tors. eta vs tors. theta energy: 6.887
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: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -466.411929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.411929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.411929 (E_RNA)
where:
Base-Base interactions energy: -152.869
where: short stacking energy: -116.861
Base-Backbone interact. energy: -0.830
local terms energy: -312.712365
where:
bonds (distance) C4'-P energy: -90.158
bonds (distance) P-C4' energy: -101.573
flat angles C4'-P-C4' energy: -87.920
flat angles P-C4'-P energy: -54.951
tors. eta vs tors. theta energy: 21.890
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2088.530301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.530301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.530301 (E_RNA)
where:
Base-Base interactions energy: -1400.527
where: short stacking energy: -605.858
Base-Backbone interact. energy: -2.181
local terms energy: -685.822233
where:
bonds (distance) C4'-P energy: -130.226
bonds (distance) P-C4' energy: -128.707
flat angles C4'-P-C4' energy: -138.944
flat angles P-C4'-P energy: -100.937
tors. eta vs tors. theta energy: -187.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1920.922371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.922371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.922371 (E_RNA)
where:
Base-Base interactions energy: -1298.034
where: short stacking energy: -527.136
Base-Backbone interact. energy: -1.944
local terms energy: -620.944678
where:
bonds (distance) C4'-P energy: -125.463
bonds (distance) P-C4' energy: -129.408
flat angles C4'-P-C4' energy: -131.361
flat angles P-C4'-P energy: -78.965
tors. eta vs tors. theta energy: -155.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1799.244097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.244097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.244097 (E_RNA)
where:
Base-Base interactions energy: -1166.992
where: short stacking energy: -534.995
Base-Backbone interact. energy: -3.039
local terms energy: -629.213023
where:
bonds (distance) C4'-P energy: -124.154
bonds (distance) P-C4' energy: -119.890
flat angles C4'-P-C4' energy: -135.245
flat angles P-C4'-P energy: -86.580
tors. eta vs tors. theta energy: -163.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1504.644926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.644926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.644926 (E_RNA)
where:
Base-Base interactions energy: -972.608
where: short stacking energy: -402.337
Base-Backbone interact. energy: 0.004
local terms energy: -532.040606
where:
bonds (distance) C4'-P energy: -123.992
bonds (distance) P-C4' energy: -111.469
flat angles C4'-P-C4' energy: -129.316
flat angles P-C4'-P energy: -79.945
tors. eta vs tors. theta energy: -87.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1416.939503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.939503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.939503 (E_RNA)
where:
Base-Base interactions energy: -863.643
where: short stacking energy: -381.601
Base-Backbone interact. energy: -1.944
local terms energy: -551.352410
where:
bonds (distance) C4'-P energy: -110.942
bonds (distance) P-C4' energy: -111.046
flat angles C4'-P-C4' energy: -131.759
flat angles P-C4'-P energy: -84.953
tors. eta vs tors. theta energy: -112.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1253.362537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.362537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.362537 (E_RNA)
where:
Base-Base interactions energy: -745.348
where: short stacking energy: -326.790
Base-Backbone interact. energy: -4.192
local terms energy: -503.822442
where:
bonds (distance) C4'-P energy: -111.138
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -127.928
flat angles P-C4'-P energy: -75.269
tors. eta vs tors. theta energy: -80.697
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: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1139.020758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.020758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.020758 (E_RNA)
where:
Base-Base interactions energy: -683.739
where: short stacking energy: -348.793
Base-Backbone interact. energy: 3.523
local terms energy: -458.805255
where:
bonds (distance) C4'-P energy: -97.235
bonds (distance) P-C4' energy: -115.622
flat angles C4'-P-C4' energy: -101.756
flat angles P-C4'-P energy: -70.335
tors. eta vs tors. theta energy: -73.856
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -787.183749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.183749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.183749 (E_RNA)
where:
Base-Base interactions energy: -393.157
where: short stacking energy: -218.770
Base-Backbone interact. energy: -2.050
local terms energy: -391.976917
where:
bonds (distance) C4'-P energy: -97.018
bonds (distance) P-C4' energy: -109.030
flat angles C4'-P-C4' energy: -102.047
flat angles P-C4'-P energy: -61.339
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -700.621228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.621228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.621228 (E_RNA)
where:
Base-Base interactions energy: -320.831
where: short stacking energy: -155.732
Base-Backbone interact. energy: 3.043
local terms energy: -382.833722
where:
bonds (distance) C4'-P energy: -124.046
bonds (distance) P-C4' energy: -103.684
flat angles C4'-P-C4' energy: -90.644
flat angles P-C4'-P energy: -66.946
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -444.035741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.035741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.035741 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -118.494
Base-Backbone interact. energy: -1.427
local terms energy: -309.795391
where:
bonds (distance) C4'-P energy: -87.443
bonds (distance) P-C4' energy: -116.051
flat angles C4'-P-C4' energy: -69.043
flat angles P-C4'-P energy: -63.735
tors. eta vs tors. theta energy: 26.477
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: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2104.555633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.555633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.555633 (E_RNA)
where:
Base-Base interactions energy: -1437.172
where: short stacking energy: -612.225
Base-Backbone interact. energy: -4.202
local terms energy: -663.181111
where:
bonds (distance) C4'-P energy: -121.776
bonds (distance) P-C4' energy: -112.933
flat angles C4'-P-C4' energy: -144.251
flat angles P-C4'-P energy: -93.178
tors. eta vs tors. theta energy: -191.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1932.031279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.031279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.031279 (E_RNA)
where:
Base-Base interactions energy: -1315.828
where: short stacking energy: -563.992
Base-Backbone interact. energy: -2.943
local terms energy: -613.260937
where:
bonds (distance) C4'-P energy: -128.211
bonds (distance) P-C4' energy: -116.920
flat angles C4'-P-C4' energy: -124.462
flat angles P-C4'-P energy: -82.692
tors. eta vs tors. theta energy: -160.976
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: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1855.161597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.161597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.161597 (E_RNA)
where:
Base-Base interactions energy: -1238.088
where: short stacking energy: -507.688
Base-Backbone interact. energy: -1.157
local terms energy: -615.916451
where:
bonds (distance) C4'-P energy: -106.426
bonds (distance) P-C4' energy: -123.633
flat angles C4'-P-C4' energy: -142.846
flat angles P-C4'-P energy: -90.181
tors. eta vs tors. theta energy: -152.831
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: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1613.073799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.073799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.073799 (E_RNA)
where:
Base-Base interactions energy: -1071.508
where: short stacking energy: -448.741
Base-Backbone interact. energy: -0.574
local terms energy: -540.991141
where:
bonds (distance) C4'-P energy: -112.717
bonds (distance) P-C4' energy: -108.153
flat angles C4'-P-C4' energy: -109.892
flat angles P-C4'-P energy: -77.023
tors. eta vs tors. theta energy: -133.206
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: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1369.695515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.695515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.695515 (E_RNA)
where:
Base-Base interactions energy: -868.288
where: short stacking energy: -370.372
Base-Backbone interact. energy: -2.079
local terms energy: -499.328722
where:
bonds (distance) C4'-P energy: -112.488
bonds (distance) P-C4' energy: -116.435
flat angles C4'-P-C4' energy: -97.412
flat angles P-C4'-P energy: -72.632
tors. eta vs tors. theta energy: -100.362
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: 50
Temperature: 1.150000
Total energy: -1258.801163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.801163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.801163 (E_RNA)
where:
Base-Base interactions energy: -771.662
where: short stacking energy: -358.585
Base-Backbone interact. energy: -0.578
local terms energy: -486.561162
where:
bonds (distance) C4'-P energy: -93.956
bonds (distance) P-C4' energy: -108.783
flat angles C4'-P-C4' energy: -125.568
flat angles P-C4'-P energy: -77.486
tors. eta vs tors. theta energy: -80.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1119.344536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.344536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.344536 (E_RNA)
where:
Base-Base interactions energy: -654.515
where: short stacking energy: -304.747
Base-Backbone interact. energy: -1.376
local terms energy: -463.453378
where:
bonds (distance) C4'-P energy: -103.245
bonds (distance) P-C4' energy: -107.804
flat angles C4'-P-C4' energy: -101.100
flat angles P-C4'-P energy: -83.622
tors. eta vs tors. theta energy: -67.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -815.251078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.251078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.251078 (E_RNA)
where:
Base-Base interactions energy: -427.357
where: short stacking energy: -211.346
Base-Backbone interact. energy: 3.771
local terms energy: -391.664890
where:
bonds (distance) C4'-P energy: -98.282
bonds (distance) P-C4' energy: -118.917
flat angles C4'-P-C4' energy: -91.530
flat angles P-C4'-P energy: -64.466
tors. eta vs tors. theta energy: -18.470
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: 50
Temperature: 1.300000
Total energy: -682.065732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.065732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.065732 (E_RNA)
where:
Base-Base interactions energy: -333.956
where: short stacking energy: -184.245
Base-Backbone interact. energy: -2.948
local terms energy: -345.162227
where:
bonds (distance) C4'-P energy: -99.677
bonds (distance) P-C4' energy: -111.589
flat angles C4'-P-C4' energy: -90.719
flat angles P-C4'-P energy: -46.752
tors. eta vs tors. theta energy: 3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -457.425868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.425868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.425868 (E_RNA)
where:
Base-Base interactions energy: -154.454
where: short stacking energy: -131.485
Base-Backbone interact. energy: -2.318
local terms energy: -300.653764
where:
bonds (distance) C4'-P energy: -95.355
bonds (distance) P-C4' energy: -113.584
flat angles C4'-P-C4' energy: -63.956
flat angles P-C4'-P energy: -46.702
tors. eta vs tors. theta energy: 18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2088.285270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.285270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.285270 (E_RNA)
where:
Base-Base interactions energy: -1424.698
where: short stacking energy: -568.904
Base-Backbone interact. energy: -5.086
local terms energy: -658.500795
where:
bonds (distance) C4'-P energy: -107.079
bonds (distance) P-C4' energy: -120.874
flat angles C4'-P-C4' energy: -145.958
flat angles P-C4'-P energy: -99.115
tors. eta vs tors. theta energy: -185.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1956.913966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.913966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.913966 (E_RNA)
where:
Base-Base interactions energy: -1321.389
where: short stacking energy: -570.447
Base-Backbone interact. energy: -0.560
local terms energy: -634.965720
where:
bonds (distance) C4'-P energy: -121.775
bonds (distance) P-C4' energy: -117.896
flat angles C4'-P-C4' energy: -135.565
flat angles P-C4'-P energy: -94.474
tors. eta vs tors. theta energy: -165.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1883.077523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.077523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.077523 (E_RNA)
where:
Base-Base interactions energy: -1254.625
where: short stacking energy: -550.357
Base-Backbone interact. energy: -1.714
local terms energy: -626.737590
where:
bonds (distance) C4'-P energy: -121.833
bonds (distance) P-C4' energy: -116.694
flat angles C4'-P-C4' energy: -131.928
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -170.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1653.733962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.733962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.733962 (E_RNA)
where:
Base-Base interactions energy: -1087.090
where: short stacking energy: -458.695
Base-Backbone interact. energy: 1.247
local terms energy: -567.890299
where:
bonds (distance) C4'-P energy: -113.302
bonds (distance) P-C4' energy: -113.329
flat angles C4'-P-C4' energy: -123.509
flat angles P-C4'-P energy: -76.624
tors. eta vs tors. theta energy: -141.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1400.421623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.421623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.421623 (E_RNA)
where:
Base-Base interactions energy: -891.857
where: short stacking energy: -409.915
Base-Backbone interact. energy: 2.239
local terms energy: -510.804211
where:
bonds (distance) C4'-P energy: -132.569
bonds (distance) P-C4' energy: -100.219
flat angles C4'-P-C4' energy: -94.433
flat angles P-C4'-P energy: -82.867
tors. eta vs tors. theta energy: -100.716
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: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1277.074159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.074159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.074159 (E_RNA)
where:
Base-Base interactions energy: -806.673
where: short stacking energy: -357.542
Base-Backbone interact. energy: -2.687
local terms energy: -467.713470
where:
bonds (distance) C4'-P energy: -109.306
bonds (distance) P-C4' energy: -115.246
flat angles C4'-P-C4' energy: -103.713
flat angles P-C4'-P energy: -54.135
tors. eta vs tors. theta energy: -85.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1148.987502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.987502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.987502 (E_RNA)
where:
Base-Base interactions energy: -668.692
where: short stacking energy: -313.366
Base-Backbone interact. energy: 1.820
local terms energy: -482.115657
where:
bonds (distance) C4'-P energy: -117.894
bonds (distance) P-C4' energy: -107.640
flat angles C4'-P-C4' energy: -117.759
flat angles P-C4'-P energy: -62.002
tors. eta vs tors. theta energy: -76.821
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: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -822.526711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.526711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.526711 (E_RNA)
where:
Base-Base interactions energy: -399.193
where: short stacking energy: -217.499
Base-Backbone interact. energy: -1.603
local terms energy: -421.730658
where:
bonds (distance) C4'-P energy: -111.712
bonds (distance) P-C4' energy: -117.605
flat angles C4'-P-C4' energy: -106.694
flat angles P-C4'-P energy: -65.679
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: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -748.696913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.696913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.696913 (E_RNA)
where:
Base-Base interactions energy: -371.538
where: short stacking energy: -212.899
Base-Backbone interact. energy: -0.444
local terms energy: -376.715062
where:
bonds (distance) C4'-P energy: -112.043
bonds (distance) P-C4' energy: -110.583
flat angles C4'-P-C4' energy: -93.922
flat angles P-C4'-P energy: -52.296
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -442.781863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.781863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.781863 (E_RNA)
where:
Base-Base interactions energy: -134.798
where: short stacking energy: -109.831
Base-Backbone interact. energy: -0.562
local terms energy: -307.421414
where:
bonds (distance) C4'-P energy: -113.234
bonds (distance) P-C4' energy: -117.887
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: 36.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2071.582376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.582376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.582376 (E_RNA)
where:
Base-Base interactions energy: -1406.262
where: short stacking energy: -590.595
Base-Backbone interact. energy: -3.705
local terms energy: -661.615851
where:
bonds (distance) C4'-P energy: -128.786
bonds (distance) P-C4' energy: -121.573
flat angles C4'-P-C4' energy: -148.552
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -183.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1939.586589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.586589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.586589 (E_RNA)
where:
Base-Base interactions energy: -1308.089
where: short stacking energy: -556.933
Base-Backbone interact. energy: 0.002
local terms energy: -631.499289
where:
bonds (distance) C4'-P energy: -124.533
bonds (distance) P-C4' energy: -121.919
flat angles C4'-P-C4' energy: -116.662
flat angles P-C4'-P energy: -97.855
tors. eta vs tors. theta energy: -170.531
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: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1884.335548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.335548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.335548 (E_RNA)
where:
Base-Base interactions energy: -1273.546
where: short stacking energy: -536.221
Base-Backbone interact. energy: -2.555
local terms energy: -608.234863
where:
bonds (distance) C4'-P energy: -111.965
bonds (distance) P-C4' energy: -125.280
flat angles C4'-P-C4' energy: -116.198
flat angles P-C4'-P energy: -89.561
tors. eta vs tors. theta energy: -165.231
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: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1674.989580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.989580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.989580 (E_RNA)
where:
Base-Base interactions energy: -1102.496
where: short stacking energy: -481.556
Base-Backbone interact. energy: 1.589
local terms energy: -574.083121
where:
bonds (distance) C4'-P energy: -115.371
bonds (distance) P-C4' energy: -126.163
flat angles C4'-P-C4' energy: -123.100
flat angles P-C4'-P energy: -78.959
tors. eta vs tors. theta energy: -130.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1436.248230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.248230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.248230 (E_RNA)
where:
Base-Base interactions energy: -923.169
where: short stacking energy: -431.089
Base-Backbone interact. energy: -2.738
local terms energy: -510.341369
where:
bonds (distance) C4'-P energy: -110.135
bonds (distance) P-C4' energy: -116.676
flat angles C4'-P-C4' energy: -111.882
flat angles P-C4'-P energy: -50.506
tors. eta vs tors. theta energy: -121.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1276.941569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.941569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.941569 (E_RNA)
where:
Base-Base interactions energy: -802.841
where: short stacking energy: -368.701
Base-Backbone interact. energy: -2.083
local terms energy: -472.017484
where:
bonds (distance) C4'-P energy: -99.539
bonds (distance) P-C4' energy: -106.953
flat angles C4'-P-C4' energy: -105.256
flat angles P-C4'-P energy: -69.429
tors. eta vs tors. theta energy: -90.840
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: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1157.641629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.641629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.641629 (E_RNA)
where:
Base-Base interactions energy: -692.562
where: short stacking energy: -324.678
Base-Backbone interact. energy: -0.513
local terms energy: -464.567163
where:
bonds (distance) C4'-P energy: -88.053
bonds (distance) P-C4' energy: -123.464
flat angles C4'-P-C4' energy: -106.141
flat angles P-C4'-P energy: -71.603
tors. eta vs tors. theta energy: -75.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -856.520940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.520940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.520940 (E_RNA)
where:
Base-Base interactions energy: -455.903
where: short stacking energy: -243.765
Base-Backbone interact. energy: 2.044
local terms energy: -402.662283
where:
bonds (distance) C4'-P energy: -113.193
bonds (distance) P-C4' energy: -106.924
flat angles C4'-P-C4' energy: -98.164
flat angles P-C4'-P energy: -46.234
tors. eta vs tors. theta energy: -38.147
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: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -726.326667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.326667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.326667 (E_RNA)
where:
Base-Base interactions energy: -374.547
where: short stacking energy: -214.887
Base-Backbone interact. energy: -1.723
local terms energy: -350.056412
where:
bonds (distance) C4'-P energy: -101.298
bonds (distance) P-C4' energy: -94.562
flat angles C4'-P-C4' energy: -94.437
flat angles P-C4'-P energy: -57.118
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -469.501806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.501806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.501806 (E_RNA)
where:
Base-Base interactions energy: -144.581
where: short stacking energy: -108.777
Base-Backbone interact. energy: 3.253
local terms energy: -328.173772
where:
bonds (distance) C4'-P energy: -116.525
bonds (distance) P-C4' energy: -100.231
flat angles C4'-P-C4' energy: -91.141
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: 19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2128.265214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.265214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.265214 (E_RNA)
where:
Base-Base interactions energy: -1458.405
where: short stacking energy: -610.287
Base-Backbone interact. energy: 1.070
local terms energy: -670.930393
where:
bonds (distance) C4'-P energy: -127.085
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -134.113
flat angles P-C4'-P energy: -102.093
tors. eta vs tors. theta energy: -178.574
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: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1973.741852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.741852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.741852 (E_RNA)
where:
Base-Base interactions energy: -1337.427
where: short stacking energy: -561.343
Base-Backbone interact. energy: -1.954
local terms energy: -634.360962
where:
bonds (distance) C4'-P energy: -134.895
bonds (distance) P-C4' energy: -103.417
flat angles C4'-P-C4' energy: -127.857
flat angles P-C4'-P energy: -95.291
tors. eta vs tors. theta energy: -172.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1848.948146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.948146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.948146 (E_RNA)
where:
Base-Base interactions energy: -1243.517
where: short stacking energy: -523.318
Base-Backbone interact. energy: -1.465
local terms energy: -603.966467
where:
bonds (distance) C4'-P energy: -106.414
bonds (distance) P-C4' energy: -100.856
flat angles C4'-P-C4' energy: -139.537
flat angles P-C4'-P energy: -96.528
tors. eta vs tors. theta energy: -160.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1649.235753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.235753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.235753 (E_RNA)
where:
Base-Base interactions energy: -1088.159
where: short stacking energy: -449.284
Base-Backbone interact. energy: -3.912
local terms energy: -557.165050
where:
bonds (distance) C4'-P energy: -109.668
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -114.194
flat angles P-C4'-P energy: -83.789
tors. eta vs tors. theta energy: -132.945
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: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1393.914566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.914566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.914566 (E_RNA)
where:
Base-Base interactions energy: -880.816
where: short stacking energy: -419.936
Base-Backbone interact. energy: 4.152
local terms energy: -517.250083
where:
bonds (distance) C4'-P energy: -95.637
bonds (distance) P-C4' energy: -110.385
flat angles C4'-P-C4' energy: -129.673
flat angles P-C4'-P energy: -67.304
tors. eta vs tors. theta energy: -114.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1246.519902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.519902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.519902 (E_RNA)
where:
Base-Base interactions energy: -758.222
where: short stacking energy: -346.255
Base-Backbone interact. energy: -2.532
local terms energy: -485.766311
where:
bonds (distance) C4'-P energy: -102.408
bonds (distance) P-C4' energy: -110.433
flat angles C4'-P-C4' energy: -116.522
flat angles P-C4'-P energy: -70.709
tors. eta vs tors. theta energy: -85.693
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: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1097.740332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.740332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.740332 (E_RNA)
where:
Base-Base interactions energy: -668.749
where: short stacking energy: -333.813
Base-Backbone interact. energy: 0.553
local terms energy: -429.544309
where:
bonds (distance) C4'-P energy: -89.562
bonds (distance) P-C4' energy: -90.869
flat angles C4'-P-C4' energy: -106.447
flat angles P-C4'-P energy: -68.669
tors. eta vs tors. theta energy: -73.997
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: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -889.080491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.080491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.080491 (E_RNA)
where:
Base-Base interactions energy: -468.656
where: short stacking energy: -259.080
Base-Backbone interact. energy: -3.522
local terms energy: -416.902774
where:
bonds (distance) C4'-P energy: -113.040
bonds (distance) P-C4' energy: -116.711
flat angles C4'-P-C4' energy: -105.592
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -735.392658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.392658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.392658 (E_RNA)
where:
Base-Base interactions energy: -361.577
where: short stacking energy: -205.450
Base-Backbone interact. energy: -1.046
local terms energy: -372.769867
where:
bonds (distance) C4'-P energy: -94.003
bonds (distance) P-C4' energy: -110.999
flat angles C4'-P-C4' energy: -93.693
flat angles P-C4'-P energy: -56.884
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -462.828405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.828405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.828405 (E_RNA)
where:
Base-Base interactions energy: -146.661
where: short stacking energy: -102.881
Base-Backbone interact. energy: -3.260
local terms energy: -312.906846
where:
bonds (distance) C4'-P energy: -84.970
bonds (distance) P-C4' energy: -114.711
flat angles C4'-P-C4' energy: -92.634
flat angles P-C4'-P energy: -54.273
tors. eta vs tors. theta energy: 33.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2103.403138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.403138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.403138 (E_RNA)
where:
Base-Base interactions energy: -1451.666
where: short stacking energy: -599.693
Base-Backbone interact. energy: 0.752
local terms energy: -652.489095
where:
bonds (distance) C4'-P energy: -115.814
bonds (distance) P-C4' energy: -126.564
flat angles C4'-P-C4' energy: -141.570
flat angles P-C4'-P energy: -89.452
tors. eta vs tors. theta energy: -179.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1950.541951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.541951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.541951 (E_RNA)
where:
Base-Base interactions energy: -1348.258
where: short stacking energy: -536.039
Base-Backbone interact. energy: -0.519
local terms energy: -601.764903
where:
bonds (distance) C4'-P energy: -121.216
bonds (distance) P-C4' energy: -112.559
flat angles C4'-P-C4' energy: -136.224
flat angles P-C4'-P energy: -81.174
tors. eta vs tors. theta energy: -150.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1867.160632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.160632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.160632 (E_RNA)
where:
Base-Base interactions energy: -1234.615
where: short stacking energy: -523.286
Base-Backbone interact. energy: -0.730
local terms energy: -631.815228
where:
bonds (distance) C4'-P energy: -118.643
bonds (distance) P-C4' energy: -117.885
flat angles C4'-P-C4' energy: -130.356
flat angles P-C4'-P energy: -91.075
tors. eta vs tors. theta energy: -173.855
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: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1684.711172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.711172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.711172 (E_RNA)
where:
Base-Base interactions energy: -1112.150
where: short stacking energy: -466.722
Base-Backbone interact. energy: -3.270
local terms energy: -569.290434
where:
bonds (distance) C4'-P energy: -119.656
bonds (distance) P-C4' energy: -111.042
flat angles C4'-P-C4' energy: -124.258
flat angles P-C4'-P energy: -84.762
tors. eta vs tors. theta energy: -129.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1410.892125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.892125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.892125 (E_RNA)
where:
Base-Base interactions energy: -878.935
where: short stacking energy: -406.048
Base-Backbone interact. energy: -0.019
local terms energy: -531.938966
where:
bonds (distance) C4'-P energy: -121.124
bonds (distance) P-C4' energy: -98.818
flat angles C4'-P-C4' energy: -107.090
flat angles P-C4'-P energy: -98.520
tors. eta vs tors. theta energy: -106.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1294.424591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.424591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.424591 (E_RNA)
where:
Base-Base interactions energy: -780.397
where: short stacking energy: -371.683
Base-Backbone interact. energy: -1.078
local terms energy: -512.949140
where:
bonds (distance) C4'-P energy: -107.818
bonds (distance) P-C4' energy: -115.255
flat angles C4'-P-C4' energy: -108.611
flat angles P-C4'-P energy: -80.969
tors. eta vs tors. theta energy: -100.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1123.727284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.727284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.727284 (E_RNA)
where:
Base-Base interactions energy: -645.733
where: short stacking energy: -315.249
Base-Backbone interact. energy: -1.776
local terms energy: -476.218054
where:
bonds (distance) C4'-P energy: -103.451
bonds (distance) P-C4' energy: -115.635
flat angles C4'-P-C4' energy: -108.666
flat angles P-C4'-P energy: -72.487
tors. eta vs tors. theta energy: -75.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -912.706675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.706675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.706675 (E_RNA)
where:
Base-Base interactions energy: -502.755
where: short stacking energy: -255.162
Base-Backbone interact. energy: 1.415
local terms energy: -411.367049
where:
bonds (distance) C4'-P energy: -110.903
bonds (distance) P-C4' energy: -90.518
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -64.299
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: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -663.051104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.051104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.051104 (E_RNA)
where:
Base-Base interactions energy: -310.330
where: short stacking energy: -163.271
Base-Backbone interact. energy: -0.018
local terms energy: -352.703284
where:
bonds (distance) C4'-P energy: -91.580
bonds (distance) P-C4' energy: -112.742
flat angles C4'-P-C4' energy: -83.127
flat angles P-C4'-P energy: -55.627
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -465.889561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.889561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.889561 (E_RNA)
where:
Base-Base interactions energy: -152.487
where: short stacking energy: -123.153
Base-Backbone interact. energy: 0.576
local terms energy: -313.977860
where:
bonds (distance) C4'-P energy: -104.148
bonds (distance) P-C4' energy: -103.367
flat angles C4'-P-C4' energy: -90.350
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: 28.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2077.154534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.154534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.154534 (E_RNA)
where:
Base-Base interactions energy: -1410.135
where: short stacking energy: -612.092
Base-Backbone interact. energy: 0.059
local terms energy: -667.077948
where:
bonds (distance) C4'-P energy: -128.938
bonds (distance) P-C4' energy: -136.136
flat angles C4'-P-C4' energy: -138.137
flat angles P-C4'-P energy: -76.365
tors. eta vs tors. theta energy: -187.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1971.061721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.061721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.061721 (E_RNA)
where:
Base-Base interactions energy: -1341.653
where: short stacking energy: -541.087
Base-Backbone interact. energy: 0.473
local terms energy: -629.881709
where:
bonds (distance) C4'-P energy: -117.004
bonds (distance) P-C4' energy: -119.365
flat angles C4'-P-C4' energy: -141.878
flat angles P-C4'-P energy: -82.684
tors. eta vs tors. theta energy: -168.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1868.936704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.936704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.936704 (E_RNA)
where:
Base-Base interactions energy: -1252.903
where: short stacking energy: -531.236
Base-Backbone interact. energy: -2.469
local terms energy: -613.564040
where:
bonds (distance) C4'-P energy: -124.685
bonds (distance) P-C4' energy: -112.241
flat angles C4'-P-C4' energy: -134.690
flat angles P-C4'-P energy: -76.170
tors. eta vs tors. theta energy: -165.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1641.826609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.826609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.826609 (E_RNA)
where:
Base-Base interactions energy: -1093.658
where: short stacking energy: -480.569
Base-Backbone interact. energy: -2.338
local terms energy: -545.830127
where:
bonds (distance) C4'-P energy: -97.745
bonds (distance) P-C4' energy: -95.099
flat angles C4'-P-C4' energy: -137.514
flat angles P-C4'-P energy: -86.524
tors. eta vs tors. theta energy: -128.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1520.615100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.615100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.615100 (E_RNA)
where:
Base-Base interactions energy: -962.004
where: short stacking energy: -442.693
Base-Backbone interact. energy: 1.129
local terms energy: -559.740925
where:
bonds (distance) C4'-P energy: -109.463
bonds (distance) P-C4' energy: -109.380
flat angles C4'-P-C4' energy: -129.540
flat angles P-C4'-P energy: -81.250
tors. eta vs tors. theta energy: -130.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1429.005935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.005935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.005935 (E_RNA)
where:
Base-Base interactions energy: -925.684
where: short stacking energy: -394.856
Base-Backbone interact. energy: 0.000
local terms energy: -503.322271
where:
bonds (distance) C4'-P energy: -102.529
bonds (distance) P-C4' energy: -98.504
flat angles C4'-P-C4' energy: -121.321
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -101.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1123.356447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.356447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.356447 (E_RNA)
where:
Base-Base interactions energy: -673.026
where: short stacking energy: -303.451
Base-Backbone interact. energy: -1.857
local terms energy: -448.473631
where:
bonds (distance) C4'-P energy: -104.336
bonds (distance) P-C4' energy: -99.408
flat angles C4'-P-C4' energy: -119.216
flat angles P-C4'-P energy: -61.198
tors. eta vs tors. theta energy: -64.316
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -905.950927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.950927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.950927 (E_RNA)
where:
Base-Base interactions energy: -506.816
where: short stacking energy: -248.307
Base-Backbone interact. energy: -2.923
local terms energy: -396.211936
where:
bonds (distance) C4'-P energy: -93.735
bonds (distance) P-C4' energy: -99.721
flat angles C4'-P-C4' energy: -105.802
flat angles P-C4'-P energy: -49.985
tors. eta vs tors. theta energy: -46.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -670.734785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.734785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.734785 (E_RNA)
where:
Base-Base interactions energy: -288.476
where: short stacking energy: -174.806
Base-Backbone interact. energy: -2.455
local terms energy: -379.803396
where:
bonds (distance) C4'-P energy: -102.256
bonds (distance) P-C4' energy: -112.381
flat angles C4'-P-C4' energy: -106.348
flat angles P-C4'-P energy: -57.290
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -454.514803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.514803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.514803 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -127.164
Base-Backbone interact. energy: -0.976
local terms energy: -304.457747
where:
bonds (distance) C4'-P energy: -94.530
bonds (distance) P-C4' energy: -94.801
flat angles C4'-P-C4' energy: -93.852
flat angles P-C4'-P energy: -57.072
tors. eta vs tors. theta energy: 35.797
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: 56
Temperature: 0.900000
Total energy: -2062.394842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.394842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.394842 (E_RNA)
where:
Base-Base interactions energy: -1366.327
where: short stacking energy: -578.841
Base-Backbone interact. energy: -3.408
local terms energy: -692.659809
where:
bonds (distance) C4'-P energy: -131.529
bonds (distance) P-C4' energy: -124.445
flat angles C4'-P-C4' energy: -144.078
flat angles P-C4'-P energy: -107.004
tors. eta vs tors. theta energy: -185.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1989.323316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.323316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.323316 (E_RNA)
where:
Base-Base interactions energy: -1378.024
where: short stacking energy: -568.472
Base-Backbone interact. energy: -1.825
local terms energy: -609.474190
where:
bonds (distance) C4'-P energy: -103.362
bonds (distance) P-C4' energy: -112.080
flat angles C4'-P-C4' energy: -139.938
flat angles P-C4'-P energy: -81.480
tors. eta vs tors. theta energy: -172.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1839.845822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.845822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.845822 (E_RNA)
where:
Base-Base interactions energy: -1214.443
where: short stacking energy: -535.092
Base-Backbone interact. energy: -2.758
local terms energy: -622.645324
where:
bonds (distance) C4'-P energy: -120.308
bonds (distance) P-C4' energy: -117.811
flat angles C4'-P-C4' energy: -128.141
flat angles P-C4'-P energy: -86.799
tors. eta vs tors. theta energy: -169.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1734.025350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.025350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.025350 (E_RNA)
where:
Base-Base interactions energy: -1151.199
where: short stacking energy: -480.814
Base-Backbone interact. energy: -0.927
local terms energy: -581.899561
where:
bonds (distance) C4'-P energy: -118.499
bonds (distance) P-C4' energy: -112.620
flat angles C4'-P-C4' energy: -130.153
flat angles P-C4'-P energy: -81.184
tors. eta vs tors. theta energy: -139.442
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: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1462.368790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.368790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.368790 (E_RNA)
where:
Base-Base interactions energy: -938.760
where: short stacking energy: -419.814
Base-Backbone interact. energy: -2.821
local terms energy: -520.787658
where:
bonds (distance) C4'-P energy: -106.666
bonds (distance) P-C4' energy: -107.867
flat angles C4'-P-C4' energy: -111.570
flat angles P-C4'-P energy: -77.386
tors. eta vs tors. theta energy: -117.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1383.967782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.967782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.967782 (E_RNA)
where:
Base-Base interactions energy: -886.094
where: short stacking energy: -386.905
Base-Backbone interact. energy: -0.911
local terms energy: -496.962714
where:
bonds (distance) C4'-P energy: -102.237
bonds (distance) P-C4' energy: -104.661
flat angles C4'-P-C4' energy: -106.104
flat angles P-C4'-P energy: -80.680
tors. eta vs tors. theta energy: -103.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1069.675001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.675001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.675001 (E_RNA)
where:
Base-Base interactions energy: -612.237
where: short stacking energy: -302.322
Base-Backbone interact. energy: 1.462
local terms energy: -458.899953
where:
bonds (distance) C4'-P energy: -100.117
bonds (distance) P-C4' energy: -106.073
flat angles C4'-P-C4' energy: -107.183
flat angles P-C4'-P energy: -79.918
tors. eta vs tors. theta energy: -65.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -938.393136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.393136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.393136 (E_RNA)
where:
Base-Base interactions energy: -503.543
where: short stacking energy: -259.429
Base-Backbone interact. energy: 0.773
local terms energy: -435.623461
where:
bonds (distance) C4'-P energy: -110.808
bonds (distance) P-C4' energy: -111.114
flat angles C4'-P-C4' energy: -99.866
flat angles P-C4'-P energy: -61.977
tors. eta vs tors. theta energy: -51.859
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: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -711.371152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.371152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.371152 (E_RNA)
where:
Base-Base interactions energy: -332.499
where: short stacking energy: -175.984
Base-Backbone interact. energy: 3.992
local terms energy: -382.863452
where:
bonds (distance) C4'-P energy: -122.457
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -86.920
flat angles P-C4'-P energy: -50.562
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -450.134543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.134543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.134543 (E_RNA)
where:
Base-Base interactions energy: -143.282
where: short stacking energy: -113.017
Base-Backbone interact. energy: 0.312
local terms energy: -307.164634
where:
bonds (distance) C4'-P energy: -96.580
bonds (distance) P-C4' energy: -100.766
flat angles C4'-P-C4' energy: -90.047
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: 21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2147.004390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.004390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.004390 (E_RNA)
where:
Base-Base interactions energy: -1463.552
where: short stacking energy: -629.515
Base-Backbone interact. energy: -2.256
local terms energy: -681.196162
where:
bonds (distance) C4'-P energy: -113.892
bonds (distance) P-C4' energy: -137.186
flat angles C4'-P-C4' energy: -145.930
flat angles P-C4'-P energy: -88.232
tors. eta vs tors. theta energy: -195.957
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: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2004.400473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.400473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.400473 (E_RNA)
where:
Base-Base interactions energy: -1362.483
where: short stacking energy: -565.911
Base-Backbone interact. energy: -2.396
local terms energy: -639.521139
where:
bonds (distance) C4'-P energy: -127.734
bonds (distance) P-C4' energy: -126.648
flat angles C4'-P-C4' energy: -134.585
flat angles P-C4'-P energy: -81.669
tors. eta vs tors. theta energy: -168.885
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: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1883.680821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.680821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.680821 (E_RNA)
where:
Base-Base interactions energy: -1254.470
where: short stacking energy: -539.173
Base-Backbone interact. energy: -2.870
local terms energy: -626.340526
where:
bonds (distance) C4'-P energy: -125.800
bonds (distance) P-C4' energy: -116.932
flat angles C4'-P-C4' energy: -129.578
flat angles P-C4'-P energy: -91.113
tors. eta vs tors. theta energy: -162.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1684.883573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.883573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.883573 (E_RNA)
where:
Base-Base interactions energy: -1142.247
where: short stacking energy: -472.516
Base-Backbone interact. energy: 2.447
local terms energy: -545.083937
where:
bonds (distance) C4'-P energy: -106.749
bonds (distance) P-C4' energy: -114.558
flat angles C4'-P-C4' energy: -112.287
flat angles P-C4'-P energy: -76.292
tors. eta vs tors. theta energy: -135.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1445.330597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.330597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.330597 (E_RNA)
where:
Base-Base interactions energy: -918.933
where: short stacking energy: -399.859
Base-Backbone interact. energy: -1.447
local terms energy: -524.950854
where:
bonds (distance) C4'-P energy: -90.927
bonds (distance) P-C4' energy: -116.491
flat angles C4'-P-C4' energy: -129.916
flat angles P-C4'-P energy: -82.380
tors. eta vs tors. theta energy: -105.237
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: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1356.468485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.468485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.468485 (E_RNA)
where:
Base-Base interactions energy: -859.562
where: short stacking energy: -395.813
Base-Backbone interact. energy: -2.399
local terms energy: -494.506990
where:
bonds (distance) C4'-P energy: -95.065
bonds (distance) P-C4' energy: -95.009
flat angles C4'-P-C4' energy: -118.675
flat angles P-C4'-P energy: -76.053
tors. eta vs tors. theta energy: -109.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1073.368816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.368816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.368816 (E_RNA)
where:
Base-Base interactions energy: -644.522
where: short stacking energy: -305.107
Base-Backbone interact. energy: -4.016
local terms energy: -424.830900
where:
bonds (distance) C4'-P energy: -99.213
bonds (distance) P-C4' energy: -116.224
flat angles C4'-P-C4' energy: -88.989
flat angles P-C4'-P energy: -70.300
tors. eta vs tors. theta energy: -50.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -896.928410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.928410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.928410 (E_RNA)
where:
Base-Base interactions energy: -487.787
where: short stacking energy: -265.149
Base-Backbone interact. energy: 1.250
local terms energy: -410.391149
where:
bonds (distance) C4'-P energy: -92.364
bonds (distance) P-C4' energy: -106.033
flat angles C4'-P-C4' energy: -109.220
flat angles P-C4'-P energy: -64.268
tors. eta vs tors. theta energy: -38.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -671.627480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.627480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.627480 (E_RNA)
where:
Base-Base interactions energy: -306.269
where: short stacking energy: -176.516
Base-Backbone interact. energy: 3.465
local terms energy: -368.823561
where:
bonds (distance) C4'-P energy: -102.070
bonds (distance) P-C4' energy: -101.894
flat angles C4'-P-C4' energy: -81.116
flat angles P-C4'-P energy: -74.209
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -446.783682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.783682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.783682 (E_RNA)
where:
Base-Base interactions energy: -119.410
where: short stacking energy: -101.847
Base-Backbone interact. energy: 2.691
local terms energy: -330.064924
where:
bonds (distance) C4'-P energy: -107.899
bonds (distance) P-C4' energy: -108.109
flat angles C4'-P-C4' energy: -73.828
flat angles P-C4'-P energy: -58.835
tors. eta vs tors. theta energy: 18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2105.540518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.540518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.540518 (E_RNA)
where:
Base-Base interactions energy: -1444.248
where: short stacking energy: -607.994
Base-Backbone interact. energy: 1.232
local terms energy: -662.524669
where:
bonds (distance) C4'-P energy: -120.763
bonds (distance) P-C4' energy: -110.603
flat angles C4'-P-C4' energy: -134.580
flat angles P-C4'-P energy: -100.735
tors. eta vs tors. theta energy: -195.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2030.495781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.495781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.495781 (E_RNA)
where:
Base-Base interactions energy: -1375.284
where: short stacking energy: -554.186
Base-Backbone interact. energy: -2.962
local terms energy: -652.250109
where:
bonds (distance) C4'-P energy: -127.350
bonds (distance) P-C4' energy: -132.742
flat angles C4'-P-C4' energy: -123.703
flat angles P-C4'-P energy: -90.126
tors. eta vs tors. theta energy: -178.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1873.164409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.164409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.164409 (E_RNA)
where:
Base-Base interactions energy: -1240.734
where: short stacking energy: -541.010
Base-Backbone interact. energy: -2.678
local terms energy: -629.752098
where:
bonds (distance) C4'-P energy: -116.188
bonds (distance) P-C4' energy: -110.640
flat angles C4'-P-C4' energy: -137.952
flat angles P-C4'-P energy: -97.199
tors. eta vs tors. theta energy: -167.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1732.034512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.034512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.034512 (E_RNA)
where:
Base-Base interactions energy: -1169.828
where: short stacking energy: -485.076
Base-Backbone interact. energy: -3.361
local terms energy: -558.845378
where:
bonds (distance) C4'-P energy: -116.951
bonds (distance) P-C4' energy: -108.723
flat angles C4'-P-C4' energy: -120.264
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -146.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1408.529630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.529630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.529630 (E_RNA)
where:
Base-Base interactions energy: -896.634
where: short stacking energy: -426.124
Base-Backbone interact. energy: -1.370
local terms energy: -510.525573
where:
bonds (distance) C4'-P energy: -93.121
bonds (distance) P-C4' energy: -114.150
flat angles C4'-P-C4' energy: -114.369
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: -113.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1350.906129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.906129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.906129 (E_RNA)
where:
Base-Base interactions energy: -857.316
where: short stacking energy: -416.647
Base-Backbone interact. energy: -0.521
local terms energy: -493.069216
where:
bonds (distance) C4'-P energy: -98.780
bonds (distance) P-C4' energy: -97.697
flat angles C4'-P-C4' energy: -116.586
flat angles P-C4'-P energy: -71.996
tors. eta vs tors. theta energy: -108.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1144.229450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.229450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.229450 (E_RNA)
where:
Base-Base interactions energy: -695.251
where: short stacking energy: -317.334
Base-Backbone interact. energy: -2.033
local terms energy: -446.945292
where:
bonds (distance) C4'-P energy: -104.950
bonds (distance) P-C4' energy: -98.747
flat angles C4'-P-C4' energy: -114.999
flat angles P-C4'-P energy: -65.721
tors. eta vs tors. theta energy: -62.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -923.649467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.649467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.649467 (E_RNA)
where:
Base-Base interactions energy: -503.154
where: short stacking energy: -246.942
Base-Backbone interact. energy: -3.284
local terms energy: -417.211976
where:
bonds (distance) C4'-P energy: -98.965
bonds (distance) P-C4' energy: -115.404
flat angles C4'-P-C4' energy: -105.588
flat angles P-C4'-P energy: -59.842
tors. eta vs tors. theta energy: -37.414
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: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -678.934244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.934244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.934244 (E_RNA)
where:
Base-Base interactions energy: -314.999
where: short stacking energy: -199.129
Base-Backbone interact. energy: -1.795
local terms energy: -362.140122
where:
bonds (distance) C4'-P energy: -109.055
bonds (distance) P-C4' energy: -110.101
flat angles C4'-P-C4' energy: -84.470
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -23.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -445.082004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.082004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.082004 (E_RNA)
where:
Base-Base interactions energy: -132.099
where: short stacking energy: -130.186
Base-Backbone interact. energy: -1.897
local terms energy: -311.086032
where:
bonds (distance) C4'-P energy: -89.243
bonds (distance) P-C4' energy: -106.903
flat angles C4'-P-C4' energy: -77.441
flat angles P-C4'-P energy: -59.308
tors. eta vs tors. theta energy: 21.809
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: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2087.659431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.659431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.659431 (E_RNA)
where:
Base-Base interactions energy: -1430.875
where: short stacking energy: -588.877
Base-Backbone interact. energy: -2.074
local terms energy: -654.710718
where:
bonds (distance) C4'-P energy: -133.324
bonds (distance) P-C4' energy: -126.363
flat angles C4'-P-C4' energy: -143.745
flat angles P-C4'-P energy: -78.246
tors. eta vs tors. theta energy: -173.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2022.827883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.827883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.827883 (E_RNA)
where:
Base-Base interactions energy: -1371.946
where: short stacking energy: -585.780
Base-Backbone interact. energy: 5.839
local terms energy: -656.721141
where:
bonds (distance) C4'-P energy: -122.670
bonds (distance) P-C4' energy: -119.464
flat angles C4'-P-C4' energy: -140.584
flat angles P-C4'-P energy: -88.976
tors. eta vs tors. theta energy: -185.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1831.633824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.633824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.633824 (E_RNA)
where:
Base-Base interactions energy: -1223.233
where: short stacking energy: -534.723
Base-Backbone interact. energy: 0.204
local terms energy: -608.605446
where:
bonds (distance) C4'-P energy: -114.716
bonds (distance) P-C4' energy: -121.426
flat angles C4'-P-C4' energy: -127.777
flat angles P-C4'-P energy: -84.651
tors. eta vs tors. theta energy: -160.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1748.350416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.350416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.350416 (E_RNA)
where:
Base-Base interactions energy: -1138.484
where: short stacking energy: -466.874
Base-Backbone interact. energy: -3.003
local terms energy: -606.863225
where:
bonds (distance) C4'-P energy: -115.850
bonds (distance) P-C4' energy: -122.621
flat angles C4'-P-C4' energy: -134.968
flat angles P-C4'-P energy: -78.360
tors. eta vs tors. theta energy: -155.063
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: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1355.782796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.782796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.782796 (E_RNA)
where:
Base-Base interactions energy: -856.212
where: short stacking energy: -389.650
Base-Backbone interact. energy: -0.816
local terms energy: -498.754809
where:
bonds (distance) C4'-P energy: -103.071
bonds (distance) P-C4' energy: -112.610
flat angles C4'-P-C4' energy: -117.765
flat angles P-C4'-P energy: -79.659
tors. eta vs tors. theta energy: -85.649
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: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1380.430986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.430986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.430986 (E_RNA)
where:
Base-Base interactions energy: -853.297
where: short stacking energy: -393.097
Base-Backbone interact. energy: 0.551
local terms energy: -527.685299
where:
bonds (distance) C4'-P energy: -102.635
bonds (distance) P-C4' energy: -123.944
flat angles C4'-P-C4' energy: -112.303
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -114.144
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: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1107.473469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.473469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.473469 (E_RNA)
where:
Base-Base interactions energy: -675.880
where: short stacking energy: -288.352
Base-Backbone interact. energy: -1.481
local terms energy: -430.112898
where:
bonds (distance) C4'-P energy: -93.111
bonds (distance) P-C4' energy: -113.603
flat angles C4'-P-C4' energy: -98.454
flat angles P-C4'-P energy: -68.791
tors. eta vs tors. theta energy: -56.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -965.455490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.455490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.455490 (E_RNA)
where:
Base-Base interactions energy: -581.671
where: short stacking energy: -280.421
Base-Backbone interact. energy: 2.036
local terms energy: -385.820908
where:
bonds (distance) C4'-P energy: -64.098
bonds (distance) P-C4' energy: -104.776
flat angles C4'-P-C4' energy: -117.823
flat angles P-C4'-P energy: -52.413
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: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -739.060869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.060869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.060869 (E_RNA)
where:
Base-Base interactions energy: -360.015
where: short stacking energy: -208.473
Base-Backbone interact. energy: -2.237
local terms energy: -376.809272
where:
bonds (distance) C4'-P energy: -95.250
bonds (distance) P-C4' energy: -95.303
flat angles C4'-P-C4' energy: -102.067
flat angles P-C4'-P energy: -58.006
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -471.542920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.542920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.542920 (E_RNA)
where:
Base-Base interactions energy: -150.204
where: short stacking energy: -121.406
Base-Backbone interact. energy: 0.359
local terms energy: -321.697755
where:
bonds (distance) C4'-P energy: -82.809
bonds (distance) P-C4' energy: -108.093
flat angles C4'-P-C4' energy: -98.921
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: 15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2125.823009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.823009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.823009 (E_RNA)
where:
Base-Base interactions energy: -1483.885
where: short stacking energy: -627.314
Base-Backbone interact. energy: 1.146
local terms energy: -643.083729
where:
bonds (distance) C4'-P energy: -116.259
bonds (distance) P-C4' energy: -118.162
flat angles C4'-P-C4' energy: -144.953
flat angles P-C4'-P energy: -76.865
tors. eta vs tors. theta energy: -186.845
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1983.740416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.740416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.740416 (E_RNA)
where:
Base-Base interactions energy: -1363.256
where: short stacking energy: -560.271
Base-Backbone interact. energy: -0.415
local terms energy: -620.069826
where:
bonds (distance) C4'-P energy: -122.742
bonds (distance) P-C4' energy: -119.286
flat angles C4'-P-C4' energy: -134.743
flat angles P-C4'-P energy: -76.583
tors. eta vs tors. theta energy: -166.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1830.492456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.492456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.492456 (E_RNA)
where:
Base-Base interactions energy: -1192.352
where: short stacking energy: -510.905
Base-Backbone interact. energy: -1.230
local terms energy: -636.910224
where:
bonds (distance) C4'-P energy: -127.956
bonds (distance) P-C4' energy: -120.072
flat angles C4'-P-C4' energy: -136.016
flat angles P-C4'-P energy: -93.784
tors. eta vs tors. theta energy: -159.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1789.051095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.051095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.051095 (E_RNA)
where:
Base-Base interactions energy: -1204.706
where: short stacking energy: -500.496
Base-Backbone interact. energy: -5.720
local terms energy: -578.625322
where:
bonds (distance) C4'-P energy: -103.724
bonds (distance) P-C4' energy: -114.088
flat angles C4'-P-C4' energy: -128.695
flat angles P-C4'-P energy: -87.290
tors. eta vs tors. theta energy: -144.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1481.808385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.808385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.808385 (E_RNA)
where:
Base-Base interactions energy: -982.741
where: short stacking energy: -429.767
Base-Backbone interact. energy: 3.608
local terms energy: -502.675307
where:
bonds (distance) C4'-P energy: -82.412
bonds (distance) P-C4' energy: -120.063
flat angles C4'-P-C4' energy: -110.505
flat angles P-C4'-P energy: -77.420
tors. eta vs tors. theta energy: -112.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1312.080572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.080572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.080572 (E_RNA)
where:
Base-Base interactions energy: -800.388
where: short stacking energy: -353.809
Base-Backbone interact. energy: 0.425
local terms energy: -512.117015
where:
bonds (distance) C4'-P energy: -107.962
bonds (distance) P-C4' energy: -119.727
flat angles C4'-P-C4' energy: -110.892
flat angles P-C4'-P energy: -75.039
tors. eta vs tors. theta energy: -98.498
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: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1037.343492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.343492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.343492 (E_RNA)
where:
Base-Base interactions energy: -601.472
where: short stacking energy: -267.517
Base-Backbone interact. energy: 2.999
local terms energy: -438.869969
where:
bonds (distance) C4'-P energy: -107.819
bonds (distance) P-C4' energy: -121.514
flat angles C4'-P-C4' energy: -100.105
flat angles P-C4'-P energy: -63.416
tors. eta vs tors. theta energy: -46.015
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: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -972.398502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.398502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.398502 (E_RNA)
where:
Base-Base interactions energy: -556.179
where: short stacking energy: -267.713
Base-Backbone interact. energy: 0.377
local terms energy: -416.597066
where:
bonds (distance) C4'-P energy: -101.086
bonds (distance) P-C4' energy: -115.684
flat angles C4'-P-C4' energy: -96.689
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: -43.492
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: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -723.252508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.252508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.252508 (E_RNA)
where:
Base-Base interactions energy: -343.895
where: short stacking energy: -200.808
Base-Backbone interact. energy: 4.281
local terms energy: -383.638583
where:
bonds (distance) C4'-P energy: -104.791
bonds (distance) P-C4' energy: -109.630
flat angles C4'-P-C4' energy: -88.869
flat angles P-C4'-P energy: -59.635
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -470.429401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.429401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.429401 (E_RNA)
where:
Base-Base interactions energy: -158.546
where: short stacking energy: -128.311
Base-Backbone interact. energy: 6.040
local terms energy: -317.923032
where:
bonds (distance) C4'-P energy: -86.829
bonds (distance) P-C4' energy: -113.394
flat angles C4'-P-C4' energy: -86.109
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: 19.757
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: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2079.643744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.643744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.643744 (E_RNA)
where:
Base-Base interactions energy: -1423.582
where: short stacking energy: -583.043
Base-Backbone interact. energy: -3.575
local terms energy: -652.486443
where:
bonds (distance) C4'-P energy: -120.813
bonds (distance) P-C4' energy: -139.273
flat angles C4'-P-C4' energy: -139.542
flat angles P-C4'-P energy: -86.503
tors. eta vs tors. theta energy: -166.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1953.123582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.123582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.123582 (E_RNA)
where:
Base-Base interactions energy: -1337.916
where: short stacking energy: -540.820
Base-Backbone interact. energy: 0.144
local terms energy: -615.351562
where:
bonds (distance) C4'-P energy: -116.080
bonds (distance) P-C4' energy: -118.893
flat angles C4'-P-C4' energy: -129.187
flat angles P-C4'-P energy: -87.174
tors. eta vs tors. theta energy: -164.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1849.042465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.042465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.042465 (E_RNA)
where:
Base-Base interactions energy: -1238.707
where: short stacking energy: -542.015
Base-Backbone interact. energy: 3.842
local terms energy: -614.177475
where:
bonds (distance) C4'-P energy: -112.235
bonds (distance) P-C4' energy: -121.914
flat angles C4'-P-C4' energy: -137.604
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -159.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1741.511696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.511696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.511696 (E_RNA)
where:
Base-Base interactions energy: -1160.344
where: short stacking energy: -508.966
Base-Backbone interact. energy: -6.703
local terms energy: -574.464465
where:
bonds (distance) C4'-P energy: -122.623
bonds (distance) P-C4' energy: -114.231
flat angles C4'-P-C4' energy: -109.200
flat angles P-C4'-P energy: -78.090
tors. eta vs tors. theta energy: -150.321
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: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1523.110757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.110757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.110757 (E_RNA)
where:
Base-Base interactions energy: -970.204
where: short stacking energy: -424.779
Base-Backbone interact. energy: -1.889
local terms energy: -551.017248
where:
bonds (distance) C4'-P energy: -118.490
bonds (distance) P-C4' energy: -120.625
flat angles C4'-P-C4' energy: -122.082
flat angles P-C4'-P energy: -70.880
tors. eta vs tors. theta energy: -118.941
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: 61
Temperature: 1.150000
Total energy: -1399.116872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.116872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.116872 (E_RNA)
where:
Base-Base interactions energy: -892.978
where: short stacking energy: -413.033
Base-Backbone interact. energy: 3.003
local terms energy: -509.141619
where:
bonds (distance) C4'-P energy: -106.430
bonds (distance) P-C4' energy: -116.944
flat angles C4'-P-C4' energy: -118.390
flat angles P-C4'-P energy: -55.927
tors. eta vs tors. theta energy: -111.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1006.843987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.843987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.843987 (E_RNA)
where:
Base-Base interactions energy: -583.660
where: short stacking energy: -285.615
Base-Backbone interact. energy: -0.899
local terms energy: -422.284820
where:
bonds (distance) C4'-P energy: -102.161
bonds (distance) P-C4' energy: -97.648
flat angles C4'-P-C4' energy: -113.038
flat angles P-C4'-P energy: -56.003
tors. eta vs tors. theta energy: -53.434
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: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -970.046840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.046840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.046840 (E_RNA)
where:
Base-Base interactions energy: -543.016
where: short stacking energy: -263.870
Base-Backbone interact. energy: -0.225
local terms energy: -426.805538
where:
bonds (distance) C4'-P energy: -109.629
bonds (distance) P-C4' energy: -99.283
flat angles C4'-P-C4' energy: -93.481
flat angles P-C4'-P energy: -72.357
tors. eta vs tors. theta energy: -52.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -706.203167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.203167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.203167 (E_RNA)
where:
Base-Base interactions energy: -323.725
where: short stacking energy: -192.734
Base-Backbone interact. energy: 0.674
local terms energy: -383.152755
where:
bonds (distance) C4'-P energy: -102.396
bonds (distance) P-C4' energy: -118.855
flat angles C4'-P-C4' energy: -93.849
flat angles P-C4'-P energy: -55.909
tors. eta vs tors. theta energy: -12.143
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: 61
Temperature: 1.350000
Total energy: -465.405564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.405564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.405564 (E_RNA)
where:
Base-Base interactions energy: -149.976
where: short stacking energy: -119.165
Base-Backbone interact. energy: 1.553
local terms energy: -316.982615
where:
bonds (distance) C4'-P energy: -95.764
bonds (distance) P-C4' energy: -112.460
flat angles C4'-P-C4' energy: -79.522
flat angles P-C4'-P energy: -61.108
tors. eta vs tors. theta energy: 31.871
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: 62
Temperature: 0.900000
Total energy: -2093.701024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.701024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.701024 (E_RNA)
where:
Base-Base interactions energy: -1444.352
where: short stacking energy: -591.440
Base-Backbone interact. energy: -3.043
local terms energy: -646.306681
where:
bonds (distance) C4'-P energy: -110.375
bonds (distance) P-C4' energy: -118.679
flat angles C4'-P-C4' energy: -143.074
flat angles P-C4'-P energy: -93.507
tors. eta vs tors. theta energy: -180.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1954.887572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.887572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.887572 (E_RNA)
where:
Base-Base interactions energy: -1331.601
where: short stacking energy: -561.324
Base-Backbone interact. energy: -1.524
local terms energy: -621.762665
where:
bonds (distance) C4'-P energy: -127.870
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -120.250
flat angles P-C4'-P energy: -90.519
tors. eta vs tors. theta energy: -170.582
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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1834.545687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.545687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.545687 (E_RNA)
where:
Base-Base interactions energy: -1225.641
where: short stacking energy: -522.573
Base-Backbone interact. energy: -6.797
local terms energy: -602.107698
where:
bonds (distance) C4'-P energy: -102.363
bonds (distance) P-C4' energy: -115.904
flat angles C4'-P-C4' energy: -135.212
flat angles P-C4'-P energy: -87.668
tors. eta vs tors. theta energy: -160.961
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: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1759.137941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.137941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.137941 (E_RNA)
where:
Base-Base interactions energy: -1178.664
where: short stacking energy: -496.420
Base-Backbone interact. energy: -3.762
local terms energy: -576.711851
where:
bonds (distance) C4'-P energy: -123.381
bonds (distance) P-C4' energy: -116.391
flat angles C4'-P-C4' energy: -118.547
flat angles P-C4'-P energy: -76.016
tors. eta vs tors. theta energy: -142.376
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: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1533.033993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.033993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.033993 (E_RNA)
where:
Base-Base interactions energy: -972.242
where: short stacking energy: -423.909
Base-Backbone interact. energy: -1.185
local terms energy: -559.607140
where:
bonds (distance) C4'-P energy: -113.708
bonds (distance) P-C4' energy: -120.243
flat angles C4'-P-C4' energy: -132.199
flat angles P-C4'-P energy: -82.876
tors. eta vs tors. theta energy: -110.581
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1405.247548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.247548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.247548 (E_RNA)
where:
Base-Base interactions energy: -895.570
where: short stacking energy: -404.802
Base-Backbone interact. energy: -2.532
local terms energy: -507.146326
where:
bonds (distance) C4'-P energy: -109.350
bonds (distance) P-C4' energy: -98.664
flat angles C4'-P-C4' energy: -109.729
flat angles P-C4'-P energy: -86.963
tors. eta vs tors. theta energy: -102.440
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: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -950.547938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.547938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.547938 (E_RNA)
where:
Base-Base interactions energy: -536.169
where: short stacking energy: -255.335
Base-Backbone interact. energy: -1.194
local terms energy: -413.185223
where:
bonds (distance) C4'-P energy: -99.617
bonds (distance) P-C4' energy: -98.227
flat angles C4'-P-C4' energy: -104.227
flat angles P-C4'-P energy: -76.565
tors. eta vs tors. theta energy: -34.550
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: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1003.969306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.969306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.969306 (E_RNA)
where:
Base-Base interactions energy: -576.610
where: short stacking energy: -286.374
Base-Backbone interact. energy: 2.633
local terms energy: -429.991390
where:
bonds (distance) C4'-P energy: -98.324
bonds (distance) P-C4' energy: -109.140
flat angles C4'-P-C4' energy: -105.934
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -52.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -690.269402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.269402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.269402 (E_RNA)
where:
Base-Base interactions energy: -326.751
where: short stacking energy: -178.595
Base-Backbone interact. energy: -0.975
local terms energy: -362.543454
where:
bonds (distance) C4'-P energy: -100.084
bonds (distance) P-C4' energy: -102.623
flat angles C4'-P-C4' energy: -85.374
flat angles P-C4'-P energy: -75.158
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -453.497432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.497432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.497432 (E_RNA)
where:
Base-Base interactions energy: -155.914
where: short stacking energy: -104.562
Base-Backbone interact. energy: 4.864
local terms energy: -302.447126
where:
bonds (distance) C4'-P energy: -100.564
bonds (distance) P-C4' energy: -113.092
flat angles C4'-P-C4' energy: -86.610
flat angles P-C4'-P energy: -49.320
tors. eta vs tors. theta energy: 47.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2090.471990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.471990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.471990 (E_RNA)
where:
Base-Base interactions energy: -1434.783
where: short stacking energy: -598.303
Base-Backbone interact. energy: -2.626
local terms energy: -653.062794
where:
bonds (distance) C4'-P energy: -125.743
bonds (distance) P-C4' energy: -111.924
flat angles C4'-P-C4' energy: -148.891
flat angles P-C4'-P energy: -85.619
tors. eta vs tors. theta energy: -180.886
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: 63
Temperature: 0.950000
Total energy: -1966.528407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.528407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.528407 (E_RNA)
where:
Base-Base interactions energy: -1342.644
where: short stacking energy: -552.688
Base-Backbone interact. energy: 2.196
local terms energy: -626.080614
where:
bonds (distance) C4'-P energy: -128.465
bonds (distance) P-C4' energy: -102.152
flat angles C4'-P-C4' energy: -143.474
flat angles P-C4'-P energy: -88.783
tors. eta vs tors. theta energy: -163.206
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: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1859.392504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.392504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.392504 (E_RNA)
where:
Base-Base interactions energy: -1238.667
where: short stacking energy: -527.614
Base-Backbone interact. energy: -2.690
local terms energy: -618.035529
where:
bonds (distance) C4'-P energy: -112.955
bonds (distance) P-C4' energy: -118.865
flat angles C4'-P-C4' energy: -131.815
flat angles P-C4'-P energy: -91.569
tors. eta vs tors. theta energy: -162.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1720.922206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.922206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.922206 (E_RNA)
where:
Base-Base interactions energy: -1140.447
where: short stacking energy: -457.819
Base-Backbone interact. energy: -0.525
local terms energy: -579.949841
where:
bonds (distance) C4'-P energy: -109.976
bonds (distance) P-C4' energy: -122.180
flat angles C4'-P-C4' energy: -119.387
flat angles P-C4'-P energy: -87.650
tors. eta vs tors. theta energy: -140.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1567.719256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.719256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.719256 (E_RNA)
where:
Base-Base interactions energy: -1009.481
where: short stacking energy: -456.483
Base-Backbone interact. energy: -2.338
local terms energy: -555.899976
where:
bonds (distance) C4'-P energy: -103.813
bonds (distance) P-C4' energy: -103.388
flat angles C4'-P-C4' energy: -141.133
flat angles P-C4'-P energy: -81.573
tors. eta vs tors. theta energy: -125.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1429.028363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.028363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.028363 (E_RNA)
where:
Base-Base interactions energy: -906.851
where: short stacking energy: -395.542
Base-Backbone interact. energy: -2.771
local terms energy: -519.405854
where:
bonds (distance) C4'-P energy: -110.166
bonds (distance) P-C4' energy: -103.352
flat angles C4'-P-C4' energy: -124.424
flat angles P-C4'-P energy: -76.765
tors. eta vs tors. theta energy: -104.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1038.464975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.464975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.464975 (E_RNA)
where:
Base-Base interactions energy: -583.900
where: short stacking energy: -281.826
Base-Backbone interact. energy: 0.512
local terms energy: -455.076997
where:
bonds (distance) C4'-P energy: -102.115
bonds (distance) P-C4' energy: -116.731
flat angles C4'-P-C4' energy: -110.860
flat angles P-C4'-P energy: -68.514
tors. eta vs tors. theta energy: -56.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -991.720993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.720993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.720993 (E_RNA)
where:
Base-Base interactions energy: -585.937
where: short stacking energy: -261.402
Base-Backbone interact. energy: 3.867
local terms energy: -409.651718
where:
bonds (distance) C4'-P energy: -100.104
bonds (distance) P-C4' energy: -112.582
flat angles C4'-P-C4' energy: -103.060
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: -32.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -723.429883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.429883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.429883 (E_RNA)
where:
Base-Base interactions energy: -332.535
where: short stacking energy: -173.003
Base-Backbone interact. energy: -0.685
local terms energy: -390.209692
where:
bonds (distance) C4'-P energy: -109.436
bonds (distance) P-C4' energy: -102.955
flat angles C4'-P-C4' energy: -119.343
flat angles P-C4'-P energy: -53.052
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -447.200182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.200182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.200182 (E_RNA)
where:
Base-Base interactions energy: -160.522
where: short stacking energy: -139.752
Base-Backbone interact. energy: 1.246
local terms energy: -287.923713
where:
bonds (distance) C4'-P energy: -56.529
bonds (distance) P-C4' energy: -119.884
flat angles C4'-P-C4' energy: -100.871
flat angles P-C4'-P energy: -42.866
tors. eta vs tors. theta energy: 32.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2114.247402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.247402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.247402 (E_RNA)
where:
Base-Base interactions energy: -1441.671
where: short stacking energy: -596.691
Base-Backbone interact. energy: -4.716
local terms energy: -667.860581
where:
bonds (distance) C4'-P energy: -119.079
bonds (distance) P-C4' energy: -124.306
flat angles C4'-P-C4' energy: -144.559
flat angles P-C4'-P energy: -95.986
tors. eta vs tors. theta energy: -183.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2019.350637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.350637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.350637 (E_RNA)
where:
Base-Base interactions energy: -1377.524
where: short stacking energy: -604.071
Base-Backbone interact. energy: -3.209
local terms energy: -638.617511
where:
bonds (distance) C4'-P energy: -121.134
bonds (distance) P-C4' energy: -121.461
flat angles C4'-P-C4' energy: -141.536
flat angles P-C4'-P energy: -74.189
tors. eta vs tors. theta energy: -180.297
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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1871.844254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.844254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.844254 (E_RNA)
where:
Base-Base interactions energy: -1251.689
where: short stacking energy: -518.392
Base-Backbone interact. energy: -2.014
local terms energy: -618.140806
where:
bonds (distance) C4'-P energy: -125.930
bonds (distance) P-C4' energy: -123.041
flat angles C4'-P-C4' energy: -125.242
flat angles P-C4'-P energy: -86.100
tors. eta vs tors. theta energy: -157.829
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: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1726.084630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.084630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.084630 (E_RNA)
where:
Base-Base interactions energy: -1145.541
where: short stacking energy: -482.753
Base-Backbone interact. energy: -1.347
local terms energy: -579.196924
where:
bonds (distance) C4'-P energy: -121.235
bonds (distance) P-C4' energy: -100.648
flat angles C4'-P-C4' energy: -123.695
flat angles P-C4'-P energy: -89.971
tors. eta vs tors. theta energy: -143.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1537.237722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.237722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.237722 (E_RNA)
where:
Base-Base interactions energy: -999.595
where: short stacking energy: -440.625
Base-Backbone interact. energy: -0.893
local terms energy: -536.749774
where:
bonds (distance) C4'-P energy: -99.176
bonds (distance) P-C4' energy: -113.368
flat angles C4'-P-C4' energy: -110.053
flat angles P-C4'-P energy: -92.130
tors. eta vs tors. theta energy: -122.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1406.541454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.541454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.541454 (E_RNA)
where:
Base-Base interactions energy: -913.471
where: short stacking energy: -398.952
Base-Backbone interact. energy: -2.165
local terms energy: -490.905272
where:
bonds (distance) C4'-P energy: -97.957
bonds (distance) P-C4' energy: -104.603
flat angles C4'-P-C4' energy: -117.346
flat angles P-C4'-P energy: -71.700
tors. eta vs tors. theta energy: -99.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1000.533426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.533426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.533426 (E_RNA)
where:
Base-Base interactions energy: -548.039
where: short stacking energy: -280.378
Base-Backbone interact. energy: -1.963
local terms energy: -450.531180
where:
bonds (distance) C4'-P energy: -106.828
bonds (distance) P-C4' energy: -113.480
flat angles C4'-P-C4' energy: -117.717
flat angles P-C4'-P energy: -52.260
tors. eta vs tors. theta energy: -60.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -979.673297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.673297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.673297 (E_RNA)
where:
Base-Base interactions energy: -558.915
where: short stacking energy: -273.374
Base-Backbone interact. energy: 1.969
local terms energy: -422.726597
where:
bonds (distance) C4'-P energy: -104.649
bonds (distance) P-C4' energy: -106.023
flat angles C4'-P-C4' energy: -105.453
flat angles P-C4'-P energy: -58.573
tors. eta vs tors. theta energy: -48.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -734.727461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.727461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.727461 (E_RNA)
where:
Base-Base interactions energy: -378.434
where: short stacking energy: -192.249
Base-Backbone interact. energy: -1.903
local terms energy: -354.390288
where:
bonds (distance) C4'-P energy: -92.773
bonds (distance) P-C4' energy: -91.883
flat angles C4'-P-C4' energy: -95.251
flat angles P-C4'-P energy: -58.370
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: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -432.572256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.572256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.572256 (E_RNA)
where:
Base-Base interactions energy: -122.692
where: short stacking energy: -100.149
Base-Backbone interact. energy: -3.410
local terms energy: -306.470004
where:
bonds (distance) C4'-P energy: -103.987
bonds (distance) P-C4' energy: -92.690
flat angles C4'-P-C4' energy: -91.245
flat angles P-C4'-P energy: -52.737
tors. eta vs tors. theta energy: 34.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2112.337037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.337037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.337037 (E_RNA)
where:
Base-Base interactions energy: -1421.130
where: short stacking energy: -601.198
Base-Backbone interact. energy: -1.652
local terms energy: -689.554954
where:
bonds (distance) C4'-P energy: -133.152
bonds (distance) P-C4' energy: -118.091
flat angles C4'-P-C4' energy: -154.402
flat angles P-C4'-P energy: -99.827
tors. eta vs tors. theta energy: -184.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2006.126688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.126688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.126688 (E_RNA)
where:
Base-Base interactions energy: -1361.819
where: short stacking energy: -577.060
Base-Backbone interact. energy: 3.398
local terms energy: -647.705490
where:
bonds (distance) C4'-P energy: -122.869
bonds (distance) P-C4' energy: -116.060
flat angles C4'-P-C4' energy: -139.805
flat angles P-C4'-P energy: -95.915
tors. eta vs tors. theta energy: -173.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1871.996439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.996439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.996439 (E_RNA)
where:
Base-Base interactions energy: -1223.448
where: short stacking energy: -528.883
Base-Backbone interact. energy: -3.128
local terms energy: -645.420821
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -123.499
flat angles C4'-P-C4' energy: -143.374
flat angles P-C4'-P energy: -90.521
tors. eta vs tors. theta energy: -169.509
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: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1733.046417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.046417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.046417 (E_RNA)
where:
Base-Base interactions energy: -1147.974
where: short stacking energy: -484.060
Base-Backbone interact. energy: 0.463
local terms energy: -585.535961
where:
bonds (distance) C4'-P energy: -129.396
bonds (distance) P-C4' energy: -116.567
flat angles C4'-P-C4' energy: -128.006
flat angles P-C4'-P energy: -81.403
tors. eta vs tors. theta energy: -130.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1540.669493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.669493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.669493 (E_RNA)
where:
Base-Base interactions energy: -1007.167
where: short stacking energy: -458.409
Base-Backbone interact. energy: -2.122
local terms energy: -531.381074
where:
bonds (distance) C4'-P energy: -113.243
bonds (distance) P-C4' energy: -108.585
flat angles C4'-P-C4' energy: -122.595
flat angles P-C4'-P energy: -57.762
tors. eta vs tors. theta energy: -129.196
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: 65
Temperature: 1.150000
Total energy: -1410.648390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.648390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.648390 (E_RNA)
where:
Base-Base interactions energy: -911.641
where: short stacking energy: -408.355
Base-Backbone interact. energy: -0.173
local terms energy: -498.834294
where:
bonds (distance) C4'-P energy: -96.943
bonds (distance) P-C4' energy: -127.975
flat angles C4'-P-C4' energy: -104.917
flat angles P-C4'-P energy: -69.286
tors. eta vs tors. theta energy: -99.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -971.972390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.972390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.972390 (E_RNA)
where:
Base-Base interactions energy: -560.865
where: short stacking energy: -294.668
Base-Backbone interact. energy: -2.537
local terms energy: -408.570561
where:
bonds (distance) C4'-P energy: -85.742
bonds (distance) P-C4' energy: -111.588
flat angles C4'-P-C4' energy: -99.638
flat angles P-C4'-P energy: -67.450
tors. eta vs tors. theta energy: -44.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -952.898169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.898169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.898169 (E_RNA)
where:
Base-Base interactions energy: -546.561
where: short stacking energy: -259.564
Base-Backbone interact. energy: 3.191
local terms energy: -409.527899
where:
bonds (distance) C4'-P energy: -97.798
bonds (distance) P-C4' energy: -100.540
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -52.541
tors. eta vs tors. theta energy: -48.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -720.465419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.465419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.465419 (E_RNA)
where:
Base-Base interactions energy: -347.491
where: short stacking energy: -186.445
Base-Backbone interact. energy: -0.932
local terms energy: -372.043178
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -104.767
flat angles C4'-P-C4' energy: -101.274
flat angles P-C4'-P energy: -56.762
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -458.085163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.085163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.085163 (E_RNA)
where:
Base-Base interactions energy: -169.176
where: short stacking energy: -147.013
Base-Backbone interact. energy: -0.575
local terms energy: -288.334280
where:
bonds (distance) C4'-P energy: -98.287
bonds (distance) P-C4' energy: -93.303
flat angles C4'-P-C4' energy: -85.985
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: 19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2029.788253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.788253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.788253 (E_RNA)
where:
Base-Base interactions energy: -1376.794
where: short stacking energy: -578.015
Base-Backbone interact. energy: 0.242
local terms energy: -653.236139
where:
bonds (distance) C4'-P energy: -129.159
bonds (distance) P-C4' energy: -118.592
flat angles C4'-P-C4' energy: -128.626
flat angles P-C4'-P energy: -98.720
tors. eta vs tors. theta energy: -178.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2017.910212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.910212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.910212 (E_RNA)
where:
Base-Base interactions energy: -1367.278
where: short stacking energy: -572.136
Base-Backbone interact. energy: -4.940
local terms energy: -645.692241
where:
bonds (distance) C4'-P energy: -124.435
bonds (distance) P-C4' energy: -116.544
flat angles C4'-P-C4' energy: -138.880
flat angles P-C4'-P energy: -92.284
tors. eta vs tors. theta energy: -173.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1842.050090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.050090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.050090 (E_RNA)
where:
Base-Base interactions energy: -1235.194
where: short stacking energy: -513.560
Base-Backbone interact. energy: 5.360
local terms energy: -612.216126
where:
bonds (distance) C4'-P energy: -122.601
bonds (distance) P-C4' energy: -106.719
flat angles C4'-P-C4' energy: -133.774
flat angles P-C4'-P energy: -90.153
tors. eta vs tors. theta energy: -158.969
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: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1790.653234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.653234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.653234 (E_RNA)
where:
Base-Base interactions energy: -1208.557
where: short stacking energy: -491.362
Base-Backbone interact. energy: -4.427
local terms energy: -577.668702
where:
bonds (distance) C4'-P energy: -123.601
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -120.475
flat angles P-C4'-P energy: -82.522
tors. eta vs tors. theta energy: -156.775
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: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1604.235749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.235749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.235749 (E_RNA)
where:
Base-Base interactions energy: -1031.639
where: short stacking energy: -425.897
Base-Backbone interact. energy: -1.108
local terms energy: -571.488737
where:
bonds (distance) C4'-P energy: -117.728
bonds (distance) P-C4' energy: -106.779
flat angles C4'-P-C4' energy: -127.513
flat angles P-C4'-P energy: -90.291
tors. eta vs tors. theta energy: -129.177
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: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1329.316293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.316293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.316293 (E_RNA)
where:
Base-Base interactions energy: -815.574
where: short stacking energy: -391.179
Base-Backbone interact. energy: -3.035
local terms energy: -510.707615
where:
bonds (distance) C4'-P energy: -118.088
bonds (distance) P-C4' energy: -115.354
flat angles C4'-P-C4' energy: -112.587
flat angles P-C4'-P energy: -65.606
tors. eta vs tors. theta energy: -99.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1005.610134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.610134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.610134 (E_RNA)
where:
Base-Base interactions energy: -567.091
where: short stacking energy: -280.502
Base-Backbone interact. energy: -0.071
local terms energy: -438.447536
where:
bonds (distance) C4'-P energy: -88.337
bonds (distance) P-C4' energy: -114.151
flat angles C4'-P-C4' energy: -107.269
flat angles P-C4'-P energy: -67.542
tors. eta vs tors. theta energy: -61.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -941.776500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.776500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.776500 (E_RNA)
where:
Base-Base interactions energy: -525.149
where: short stacking energy: -256.011
Base-Backbone interact. energy: 8.334
local terms energy: -424.961069
where:
bonds (distance) C4'-P energy: -103.038
bonds (distance) P-C4' energy: -100.726
flat angles C4'-P-C4' energy: -99.423
flat angles P-C4'-P energy: -79.586
tors. eta vs tors. theta energy: -42.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -723.196731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.196731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.196731 (E_RNA)
where:
Base-Base interactions energy: -363.918
where: short stacking energy: -220.528
Base-Backbone interact. energy: -4.098
local terms energy: -355.180027
where:
bonds (distance) C4'-P energy: -80.304
bonds (distance) P-C4' energy: -105.620
flat angles C4'-P-C4' energy: -92.142
flat angles P-C4'-P energy: -67.831
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -453.234158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.234158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.234158 (E_RNA)
where:
Base-Base interactions energy: -125.256
where: short stacking energy: -118.434
Base-Backbone interact. energy: -3.756
local terms energy: -324.222126
where:
bonds (distance) C4'-P energy: -93.413
bonds (distance) P-C4' energy: -102.542
flat angles C4'-P-C4' energy: -93.587
flat angles P-C4'-P energy: -58.604
tors. eta vs tors. theta energy: 23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2001.995241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.995241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.995241 (E_RNA)
where:
Base-Base interactions energy: -1386.335
where: short stacking energy: -572.852
Base-Backbone interact. energy: 0.173
local terms energy: -615.832563
where:
bonds (distance) C4'-P energy: -124.572
bonds (distance) P-C4' energy: -105.963
flat angles C4'-P-C4' energy: -131.548
flat angles P-C4'-P energy: -89.088
tors. eta vs tors. theta energy: -164.660
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: 67
Temperature: 0.950000
Total energy: -2011.113274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.113274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.113274 (E_RNA)
where:
Base-Base interactions energy: -1366.495
where: short stacking energy: -585.886
Base-Backbone interact. energy: -4.560
local terms energy: -640.058275
where:
bonds (distance) C4'-P energy: -117.478
bonds (distance) P-C4' energy: -126.213
flat angles C4'-P-C4' energy: -131.120
flat angles P-C4'-P energy: -88.310
tors. eta vs tors. theta energy: -176.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1853.148779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.148779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.148779 (E_RNA)
where:
Base-Base interactions energy: -1214.739
where: short stacking energy: -539.074
Base-Backbone interact. energy: -2.941
local terms energy: -635.468408
where:
bonds (distance) C4'-P energy: -118.087
bonds (distance) P-C4' energy: -119.918
flat angles C4'-P-C4' energy: -145.426
flat angles P-C4'-P energy: -78.686
tors. eta vs tors. theta energy: -173.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1746.944770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.944770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.944770 (E_RNA)
where:
Base-Base interactions energy: -1152.141
where: short stacking energy: -472.168
Base-Backbone interact. energy: -0.252
local terms energy: -594.551692
where:
bonds (distance) C4'-P energy: -130.260
bonds (distance) P-C4' energy: -116.742
flat angles C4'-P-C4' energy: -133.902
flat angles P-C4'-P energy: -74.716
tors. eta vs tors. theta energy: -138.932
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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1546.147981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.147981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.147981 (E_RNA)
where:
Base-Base interactions energy: -1013.220
where: short stacking energy: -440.050
Base-Backbone interact. energy: -2.080
local terms energy: -530.847653
where:
bonds (distance) C4'-P energy: -99.893
bonds (distance) P-C4' energy: -117.075
flat angles C4'-P-C4' energy: -111.415
flat angles P-C4'-P energy: -76.105
tors. eta vs tors. theta energy: -126.359
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: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1309.431636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.431636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.431636 (E_RNA)
where:
Base-Base interactions energy: -798.218
where: short stacking energy: -367.773
Base-Backbone interact. energy: -1.021
local terms energy: -510.192334
where:
bonds (distance) C4'-P energy: -106.915
bonds (distance) P-C4' energy: -121.755
flat angles C4'-P-C4' energy: -119.433
flat angles P-C4'-P energy: -64.310
tors. eta vs tors. theta energy: -97.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1012.842888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.842888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.842888 (E_RNA)
where:
Base-Base interactions energy: -566.295
where: short stacking energy: -281.966
Base-Backbone interact. energy: -0.163
local terms energy: -446.385201
where:
bonds (distance) C4'-P energy: -107.096
bonds (distance) P-C4' energy: -99.454
flat angles C4'-P-C4' energy: -115.368
flat angles P-C4'-P energy: -64.121
tors. eta vs tors. theta energy: -60.346
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: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -939.872538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.872538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.872538 (E_RNA)
where:
Base-Base interactions energy: -528.222
where: short stacking energy: -243.325
Base-Backbone interact. energy: 2.365
local terms energy: -414.015317
where:
bonds (distance) C4'-P energy: -89.011
bonds (distance) P-C4' energy: -104.466
flat angles C4'-P-C4' energy: -112.731
flat angles P-C4'-P energy: -75.351
tors. eta vs tors. theta energy: -32.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -702.327974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.327974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.327974 (E_RNA)
where:
Base-Base interactions energy: -328.089
where: short stacking energy: -207.651
Base-Backbone interact. energy: 1.039
local terms energy: -375.278270
where:
bonds (distance) C4'-P energy: -111.929
bonds (distance) P-C4' energy: -101.040
flat angles C4'-P-C4' energy: -85.089
flat angles P-C4'-P energy: -62.101
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -447.893142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.893142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.893142 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -110.014
Base-Backbone interact. energy: -3.155
local terms energy: -311.679651
where:
bonds (distance) C4'-P energy: -110.877
bonds (distance) P-C4' energy: -88.332
flat angles C4'-P-C4' energy: -78.277
flat angles P-C4'-P energy: -55.743
tors. eta vs tors. theta energy: 21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2068.313026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.313026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.313026 (E_RNA)
where:
Base-Base interactions energy: -1381.308
where: short stacking energy: -601.694
Base-Backbone interact. energy: -1.773
local terms energy: -685.232702
where:
bonds (distance) C4'-P energy: -130.484
bonds (distance) P-C4' energy: -134.533
flat angles C4'-P-C4' energy: -142.168
flat angles P-C4'-P energy: -85.657
tors. eta vs tors. theta energy: -192.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1953.374813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.374813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.374813 (E_RNA)
where:
Base-Base interactions energy: -1349.756
where: short stacking energy: -556.259
Base-Backbone interact. energy: -0.886
local terms energy: -602.731993
where:
bonds (distance) C4'-P energy: -101.138
bonds (distance) P-C4' energy: -130.948
flat angles C4'-P-C4' energy: -130.656
flat angles P-C4'-P energy: -80.290
tors. eta vs tors. theta energy: -159.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1865.436169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.436169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.436169 (E_RNA)
where:
Base-Base interactions energy: -1218.055
where: short stacking energy: -558.516
Base-Backbone interact. energy: -3.043
local terms energy: -644.338551
where:
bonds (distance) C4'-P energy: -114.476
bonds (distance) P-C4' energy: -126.044
flat angles C4'-P-C4' energy: -139.539
flat angles P-C4'-P energy: -89.103
tors. eta vs tors. theta energy: -175.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1758.995885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.995885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.995885 (E_RNA)
where:
Base-Base interactions energy: -1161.567
where: short stacking energy: -498.818
Base-Backbone interact. energy: -0.730
local terms energy: -596.698194
where:
bonds (distance) C4'-P energy: -130.353
bonds (distance) P-C4' energy: -108.933
flat angles C4'-P-C4' energy: -127.356
flat angles P-C4'-P energy: -86.461
tors. eta vs tors. theta energy: -143.595
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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1579.196521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.196521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.196521 (E_RNA)
where:
Base-Base interactions energy: -1029.648
where: short stacking energy: -469.392
Base-Backbone interact. energy: -3.007
local terms energy: -546.542243
where:
bonds (distance) C4'-P energy: -100.125
bonds (distance) P-C4' energy: -112.257
flat angles C4'-P-C4' energy: -116.215
flat angles P-C4'-P energy: -97.250
tors. eta vs tors. theta energy: -120.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1303.429831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.429831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.429831 (E_RNA)
where:
Base-Base interactions energy: -807.557
where: short stacking energy: -339.162
Base-Backbone interact. energy: 1.566
local terms energy: -497.438877
where:
bonds (distance) C4'-P energy: -107.230
bonds (distance) P-C4' energy: -123.171
flat angles C4'-P-C4' energy: -105.562
flat angles P-C4'-P energy: -62.891
tors. eta vs tors. theta energy: -98.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1066.913159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.913159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.913159 (E_RNA)
where:
Base-Base interactions energy: -618.658
where: short stacking energy: -313.741
Base-Backbone interact. energy: 2.521
local terms energy: -450.775735
where:
bonds (distance) C4'-P energy: -100.642
bonds (distance) P-C4' energy: -110.580
flat angles C4'-P-C4' energy: -110.223
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: -61.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -992.666977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.666977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.666977 (E_RNA)
where:
Base-Base interactions energy: -553.242
where: short stacking energy: -262.755
Base-Backbone interact. energy: 3.538
local terms energy: -442.963232
where:
bonds (distance) C4'-P energy: -112.064
bonds (distance) P-C4' energy: -122.042
flat angles C4'-P-C4' energy: -88.719
flat angles P-C4'-P energy: -57.525
tors. eta vs tors. theta energy: -62.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -723.584505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.584505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.584505 (E_RNA)
where:
Base-Base interactions energy: -347.186
where: short stacking energy: -184.407
Base-Backbone interact. energy: -1.350
local terms energy: -375.048196
where:
bonds (distance) C4'-P energy: -95.190
bonds (distance) P-C4' energy: -114.575
flat angles C4'-P-C4' energy: -89.788
flat angles P-C4'-P energy: -59.891
tors. eta vs tors. theta energy: -15.604
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: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -462.546616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.546616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.546616 (E_RNA)
where:
Base-Base interactions energy: -146.187
where: short stacking energy: -124.640
Base-Backbone interact. energy: -1.964
local terms energy: -314.396422
where:
bonds (distance) C4'-P energy: -114.756
bonds (distance) P-C4' energy: -119.599
flat angles C4'-P-C4' energy: -84.823
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: 22.591
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: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2097.537696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.537696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.537696 (E_RNA)
where:
Base-Base interactions energy: -1404.323
where: short stacking energy: -605.330
Base-Backbone interact. energy: -0.003
local terms energy: -693.211371
where:
bonds (distance) C4'-P energy: -132.226
bonds (distance) P-C4' energy: -141.621
flat angles C4'-P-C4' energy: -146.743
flat angles P-C4'-P energy: -92.770
tors. eta vs tors. theta energy: -179.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2006.975073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.975073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.975073 (E_RNA)
where:
Base-Base interactions energy: -1370.504
where: short stacking energy: -567.441
Base-Backbone interact. energy: 0.619
local terms energy: -637.090536
where:
bonds (distance) C4'-P energy: -124.127
bonds (distance) P-C4' energy: -127.236
flat angles C4'-P-C4' energy: -135.033
flat angles P-C4'-P energy: -83.679
tors. eta vs tors. theta energy: -167.015
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: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1823.087585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.087585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.087585 (E_RNA)
where:
Base-Base interactions energy: -1225.710
where: short stacking energy: -532.012
Base-Backbone interact. energy: 0.491
local terms energy: -597.868501
where:
bonds (distance) C4'-P energy: -117.589
bonds (distance) P-C4' energy: -110.783
flat angles C4'-P-C4' energy: -122.499
flat angles P-C4'-P energy: -86.032
tors. eta vs tors. theta energy: -160.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1752.284440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.284440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.284440 (E_RNA)
where:
Base-Base interactions energy: -1192.032
where: short stacking energy: -502.450
Base-Backbone interact. energy: -3.914
local terms energy: -556.338325
where:
bonds (distance) C4'-P energy: -98.948
bonds (distance) P-C4' energy: -110.214
flat angles C4'-P-C4' energy: -125.883
flat angles P-C4'-P energy: -75.266
tors. eta vs tors. theta energy: -146.028
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: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1592.468942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.468942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.468942 (E_RNA)
where:
Base-Base interactions energy: -1050.175
where: short stacking energy: -468.416
Base-Backbone interact. energy: 2.491
local terms energy: -544.784767
where:
bonds (distance) C4'-P energy: -110.780
bonds (distance) P-C4' energy: -108.004
flat angles C4'-P-C4' energy: -119.772
flat angles P-C4'-P energy: -71.497
tors. eta vs tors. theta energy: -134.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1385.122114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.122114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.122114 (E_RNA)
where:
Base-Base interactions energy: -872.939
where: short stacking energy: -396.473
Base-Backbone interact. energy: -2.611
local terms energy: -509.572205
where:
bonds (distance) C4'-P energy: -114.141
bonds (distance) P-C4' energy: -101.050
flat angles C4'-P-C4' energy: -117.354
flat angles P-C4'-P energy: -71.689
tors. eta vs tors. theta energy: -105.338
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: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1054.455673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.455673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.455673 (E_RNA)
where:
Base-Base interactions energy: -573.238
where: short stacking energy: -277.088
Base-Backbone interact. energy: -2.076
local terms energy: -479.142074
where:
bonds (distance) C4'-P energy: -110.831
bonds (distance) P-C4' energy: -104.659
flat angles C4'-P-C4' energy: -123.382
flat angles P-C4'-P energy: -77.600
tors. eta vs tors. theta energy: -62.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1008.658841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.658841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.658841 (E_RNA)
where:
Base-Base interactions energy: -586.373
where: short stacking energy: -297.926
Base-Backbone interact. energy: -0.869
local terms energy: -421.417570
where:
bonds (distance) C4'-P energy: -98.977
bonds (distance) P-C4' energy: -121.905
flat angles C4'-P-C4' energy: -104.227
flat angles P-C4'-P energy: -47.572
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: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -768.133823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.133823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.133823 (E_RNA)
where:
Base-Base interactions energy: -389.817
where: short stacking energy: -217.933
Base-Backbone interact. energy: -3.853
local terms energy: -374.464531
where:
bonds (distance) C4'-P energy: -87.150
bonds (distance) P-C4' energy: -106.687
flat angles C4'-P-C4' energy: -100.966
flat angles P-C4'-P energy: -61.361
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -467.540589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.540589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.540589 (E_RNA)
where:
Base-Base interactions energy: -117.594
where: short stacking energy: -110.066
Base-Backbone interact. energy: 1.955
local terms energy: -351.901348
where:
bonds (distance) C4'-P energy: -110.127
bonds (distance) P-C4' energy: -98.318
flat angles C4'-P-C4' energy: -88.952
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: 3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2085.063824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.063824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.063824 (E_RNA)
where:
Base-Base interactions energy: -1411.688
where: short stacking energy: -592.608
Base-Backbone interact. energy: 0.308
local terms energy: -673.683226
where:
bonds (distance) C4'-P energy: -125.465
bonds (distance) P-C4' energy: -133.431
flat angles C4'-P-C4' energy: -143.126
flat angles P-C4'-P energy: -89.972
tors. eta vs tors. theta energy: -181.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1997.889890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.889890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.889890 (E_RNA)
where:
Base-Base interactions energy: -1369.226
where: short stacking energy: -575.629
Base-Backbone interact. energy: 0.349
local terms energy: -629.012254
where:
bonds (distance) C4'-P energy: -119.199
bonds (distance) P-C4' energy: -125.957
flat angles C4'-P-C4' energy: -137.009
flat angles P-C4'-P energy: -80.402
tors. eta vs tors. theta energy: -166.446
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: 70
Temperature: 1.000000
Total energy: -1775.495309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.495309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.495309 (E_RNA)
where:
Base-Base interactions energy: -1173.220
where: short stacking energy: -518.765
Base-Backbone interact. energy: -4.987
local terms energy: -597.288690
where:
bonds (distance) C4'-P energy: -104.815
bonds (distance) P-C4' energy: -127.348
flat angles C4'-P-C4' energy: -127.845
flat angles P-C4'-P energy: -83.034
tors. eta vs tors. theta energy: -154.247
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: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1796.074483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.074483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.074483 (E_RNA)
where:
Base-Base interactions energy: -1215.932
where: short stacking energy: -502.548
Base-Backbone interact. energy: -3.422
local terms energy: -576.720827
where:
bonds (distance) C4'-P energy: -115.965
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -122.477
flat angles P-C4'-P energy: -84.358
tors. eta vs tors. theta energy: -140.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1613.743249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.743249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.743249 (E_RNA)
where:
Base-Base interactions energy: -1090.382
where: short stacking energy: -445.600
Base-Backbone interact. energy: -1.435
local terms energy: -521.926890
where:
bonds (distance) C4'-P energy: -115.140
bonds (distance) P-C4' energy: -107.386
flat angles C4'-P-C4' energy: -116.664
flat angles P-C4'-P energy: -66.016
tors. eta vs tors. theta energy: -116.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1340.183745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.183745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.183745 (E_RNA)
where:
Base-Base interactions energy: -847.493
where: short stacking energy: -385.572
Base-Backbone interact. energy: 2.804
local terms energy: -495.495629
where:
bonds (distance) C4'-P energy: -103.806
bonds (distance) P-C4' energy: -106.080
flat angles C4'-P-C4' energy: -112.783
flat angles P-C4'-P energy: -77.804
tors. eta vs tors. theta energy: -95.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1094.617937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.617937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.617937 (E_RNA)
where:
Base-Base interactions energy: -627.488
where: short stacking energy: -296.295
Base-Backbone interact. energy: -1.407
local terms energy: -465.722669
where:
bonds (distance) C4'-P energy: -111.311
bonds (distance) P-C4' energy: -109.528
flat angles C4'-P-C4' energy: -102.757
flat angles P-C4'-P energy: -76.032
tors. eta vs tors. theta energy: -66.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1063.180260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.180260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.180260 (E_RNA)
where:
Base-Base interactions energy: -580.255
where: short stacking energy: -275.621
Base-Backbone interact. energy: -1.358
local terms energy: -481.568113
where:
bonds (distance) C4'-P energy: -130.932
bonds (distance) P-C4' energy: -117.653
flat angles C4'-P-C4' energy: -104.243
flat angles P-C4'-P energy: -66.801
tors. eta vs tors. theta energy: -61.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -778.338258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.338258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.338258 (E_RNA)
where:
Base-Base interactions energy: -383.146
where: short stacking energy: -217.384
Base-Backbone interact. energy: -0.889
local terms energy: -394.303032
where:
bonds (distance) C4'-P energy: -87.534
bonds (distance) P-C4' energy: -113.086
flat angles C4'-P-C4' energy: -101.615
flat angles P-C4'-P energy: -71.006
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -449.176634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.176634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.176634 (E_RNA)
where:
Base-Base interactions energy: -136.804
where: short stacking energy: -126.968
Base-Backbone interact. energy: 4.237
local terms energy: -316.609912
where:
bonds (distance) C4'-P energy: -88.050
bonds (distance) P-C4' energy: -105.694
flat angles C4'-P-C4' energy: -86.983
flat angles P-C4'-P energy: -50.442
tors. eta vs tors. theta energy: 14.560
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: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2104.857148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.857148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.857148 (E_RNA)
where:
Base-Base interactions energy: -1404.487
where: short stacking energy: -616.123
Base-Backbone interact. energy: -1.715
local terms energy: -698.655651
where:
bonds (distance) C4'-P energy: -125.382
bonds (distance) P-C4' energy: -120.784
flat angles C4'-P-C4' energy: -153.346
flat angles P-C4'-P energy: -106.663
tors. eta vs tors. theta energy: -192.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1963.483562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.483562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.483562 (E_RNA)
where:
Base-Base interactions energy: -1325.076
where: short stacking energy: -557.864
Base-Backbone interact. energy: -3.733
local terms energy: -634.675074
where:
bonds (distance) C4'-P energy: -121.731
bonds (distance) P-C4' energy: -127.972
flat angles C4'-P-C4' energy: -132.990
flat angles P-C4'-P energy: -97.670
tors. eta vs tors. theta energy: -154.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1819.997717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.997717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.997717 (E_RNA)
where:
Base-Base interactions energy: -1218.962
where: short stacking energy: -527.293
Base-Backbone interact. energy: -2.437
local terms energy: -598.598261
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -131.146
flat angles P-C4'-P energy: -73.998
tors. eta vs tors. theta energy: -159.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1730.335364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.335364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.335364 (E_RNA)
where:
Base-Base interactions energy: -1148.607
where: short stacking energy: -469.315
Base-Backbone interact. energy: -3.865
local terms energy: -577.863243
where:
bonds (distance) C4'-P energy: -101.404
bonds (distance) P-C4' energy: -134.020
flat angles C4'-P-C4' energy: -130.012
flat angles P-C4'-P energy: -83.825
tors. eta vs tors. theta energy: -128.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1710.506153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.506153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.506153 (E_RNA)
where:
Base-Base interactions energy: -1164.631
where: short stacking energy: -461.438
Base-Backbone interact. energy: -0.968
local terms energy: -544.906810
where:
bonds (distance) C4'-P energy: -112.406
bonds (distance) P-C4' energy: -88.167
flat angles C4'-P-C4' energy: -131.007
flat angles P-C4'-P energy: -92.094
tors. eta vs tors. theta energy: -121.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1249.822893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.822893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.822893 (E_RNA)
where:
Base-Base interactions energy: -762.652
where: short stacking energy: -342.436
Base-Backbone interact. energy: 7.159
local terms energy: -494.329841
where:
bonds (distance) C4'-P energy: -104.171
bonds (distance) P-C4' energy: -111.585
flat angles C4'-P-C4' energy: -114.127
flat angles P-C4'-P energy: -79.022
tors. eta vs tors. theta energy: -85.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1127.557757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.557757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.557757 (E_RNA)
where:
Base-Base interactions energy: -687.880
where: short stacking energy: -347.440
Base-Backbone interact. energy: -3.558
local terms energy: -436.119897
where:
bonds (distance) C4'-P energy: -94.712
bonds (distance) P-C4' energy: -106.923
flat angles C4'-P-C4' energy: -105.180
flat angles P-C4'-P energy: -58.903
tors. eta vs tors. theta energy: -70.402
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: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1048.894851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.894851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.894851 (E_RNA)
where:
Base-Base interactions energy: -606.123
where: short stacking energy: -289.289
Base-Backbone interact. energy: 0.480
local terms energy: -443.251972
where:
bonds (distance) C4'-P energy: -113.403
bonds (distance) P-C4' energy: -107.667
flat angles C4'-P-C4' energy: -100.280
flat angles P-C4'-P energy: -72.709
tors. eta vs tors. theta energy: -49.193
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: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -792.317259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.317259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.317259 (E_RNA)
where:
Base-Base interactions energy: -397.127
where: short stacking energy: -223.893
Base-Backbone interact. energy: 1.707
local terms energy: -396.897711
where:
bonds (distance) C4'-P energy: -94.549
bonds (distance) P-C4' energy: -117.234
flat angles C4'-P-C4' energy: -99.622
flat angles P-C4'-P energy: -59.501
tors. eta vs tors. theta energy: -25.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -448.282710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.282710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.282710 (E_RNA)
where:
Base-Base interactions energy: -148.682
where: short stacking energy: -121.176
Base-Backbone interact. energy: -1.528
local terms energy: -298.073027
where:
bonds (distance) C4'-P energy: -83.806
bonds (distance) P-C4' energy: -90.921
flat angles C4'-P-C4' energy: -102.789
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: 21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2072.865084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.865084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.865084 (E_RNA)
where:
Base-Base interactions energy: -1399.555
where: short stacking energy: -594.861
Base-Backbone interact. energy: -0.826
local terms energy: -672.484129
where:
bonds (distance) C4'-P energy: -122.583
bonds (distance) P-C4' energy: -132.873
flat angles C4'-P-C4' energy: -135.693
flat angles P-C4'-P energy: -93.984
tors. eta vs tors. theta energy: -187.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2007.261702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.261702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.261702 (E_RNA)
where:
Base-Base interactions energy: -1358.794
where: short stacking energy: -558.962
Base-Backbone interact. energy: -2.981
local terms energy: -645.487490
where:
bonds (distance) C4'-P energy: -119.517
bonds (distance) P-C4' energy: -133.905
flat angles C4'-P-C4' energy: -130.055
flat angles P-C4'-P energy: -90.258
tors. eta vs tors. theta energy: -171.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1838.661420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.661420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.661420 (E_RNA)
where:
Base-Base interactions energy: -1230.881
where: short stacking energy: -553.295
Base-Backbone interact. energy: -0.499
local terms energy: -607.281183
where:
bonds (distance) C4'-P energy: -110.441
bonds (distance) P-C4' energy: -119.547
flat angles C4'-P-C4' energy: -124.670
flat angles P-C4'-P energy: -80.480
tors. eta vs tors. theta energy: -172.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1783.893434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.893434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.893434 (E_RNA)
where:
Base-Base interactions energy: -1175.388
where: short stacking energy: -497.564
Base-Backbone interact. energy: 1.939
local terms energy: -610.444023
where:
bonds (distance) C4'-P energy: -116.521
bonds (distance) P-C4' energy: -124.130
flat angles C4'-P-C4' energy: -135.325
flat angles P-C4'-P energy: -94.406
tors. eta vs tors. theta energy: -140.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1719.734456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.734456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.734456 (E_RNA)
where:
Base-Base interactions energy: -1180.051
where: short stacking energy: -473.590
Base-Backbone interact. energy: -0.550
local terms energy: -539.134223
where:
bonds (distance) C4'-P energy: -101.224
bonds (distance) P-C4' energy: -110.998
flat angles C4'-P-C4' energy: -124.722
flat angles P-C4'-P energy: -84.794
tors. eta vs tors. theta energy: -117.397
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: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1253.143297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.143297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.143297 (E_RNA)
where:
Base-Base interactions energy: -771.111
where: short stacking energy: -362.016
Base-Backbone interact. energy: 5.020
local terms energy: -487.052687
where:
bonds (distance) C4'-P energy: -89.218
bonds (distance) P-C4' energy: -114.052
flat angles C4'-P-C4' energy: -116.428
flat angles P-C4'-P energy: -83.397
tors. eta vs tors. theta energy: -83.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1093.355014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.355014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.355014 (E_RNA)
where:
Base-Base interactions energy: -649.207
where: short stacking energy: -290.399
Base-Backbone interact. energy: -2.018
local terms energy: -442.130739
where:
bonds (distance) C4'-P energy: -98.931
bonds (distance) P-C4' energy: -104.677
flat angles C4'-P-C4' energy: -115.435
flat angles P-C4'-P energy: -58.218
tors. eta vs tors. theta energy: -64.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1054.897210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.897210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.897210 (E_RNA)
where:
Base-Base interactions energy: -635.727
where: short stacking energy: -295.280
Base-Backbone interact. energy: -0.783
local terms energy: -418.386644
where:
bonds (distance) C4'-P energy: -121.874
bonds (distance) P-C4' energy: -98.746
flat angles C4'-P-C4' energy: -103.818
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -55.459
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: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -727.782382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.782382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.782382 (E_RNA)
where:
Base-Base interactions energy: -350.739
where: short stacking energy: -185.702
Base-Backbone interact. energy: 2.105
local terms energy: -379.147938
where:
bonds (distance) C4'-P energy: -105.850
bonds (distance) P-C4' energy: -109.840
flat angles C4'-P-C4' energy: -91.488
flat angles P-C4'-P energy: -81.600
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: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -446.294643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.294643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.294643 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -111.869
Base-Backbone interact. energy: 2.257
local terms energy: -314.071808
where:
bonds (distance) C4'-P energy: -98.429
bonds (distance) P-C4' energy: -127.176
flat angles C4'-P-C4' energy: -91.337
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: 24.726
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: 73
Temperature: 0.900000
Total energy: -2093.465633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.465633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.465633 (E_RNA)
where:
Base-Base interactions energy: -1416.552
where: short stacking energy: -617.204
Base-Backbone interact. energy: -3.789
local terms energy: -673.124711
where:
bonds (distance) C4'-P energy: -117.078
bonds (distance) P-C4' energy: -127.511
flat angles C4'-P-C4' energy: -146.859
flat angles P-C4'-P energy: -98.233
tors. eta vs tors. theta energy: -183.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1997.561411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.561411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.561411 (E_RNA)
where:
Base-Base interactions energy: -1373.384
where: short stacking energy: -571.455
Base-Backbone interact. energy: 0.493
local terms energy: -624.670438
where:
bonds (distance) C4'-P energy: -105.332
bonds (distance) P-C4' energy: -125.628
flat angles C4'-P-C4' energy: -143.229
flat angles P-C4'-P energy: -78.694
tors. eta vs tors. theta energy: -171.787
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1842.126891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.126891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.126891 (E_RNA)
where:
Base-Base interactions energy: -1207.199
where: short stacking energy: -530.637
Base-Backbone interact. energy: -1.147
local terms energy: -633.781287
where:
bonds (distance) C4'-P energy: -106.064
bonds (distance) P-C4' energy: -132.449
flat angles C4'-P-C4' energy: -129.963
flat angles P-C4'-P energy: -96.545
tors. eta vs tors. theta energy: -168.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1780.500266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.500266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.500266 (E_RNA)
where:
Base-Base interactions energy: -1180.370
where: short stacking energy: -517.619
Base-Backbone interact. energy: 0.295
local terms energy: -600.425326
where:
bonds (distance) C4'-P energy: -119.723
bonds (distance) P-C4' energy: -117.932
flat angles C4'-P-C4' energy: -135.638
flat angles P-C4'-P energy: -76.440
tors. eta vs tors. theta energy: -150.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1755.393093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.393093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.393093 (E_RNA)
where:
Base-Base interactions energy: -1171.039
where: short stacking energy: -475.481
Base-Backbone interact. energy: -2.931
local terms energy: -581.423276
where:
bonds (distance) C4'-P energy: -101.635
bonds (distance) P-C4' energy: -118.647
flat angles C4'-P-C4' energy: -129.157
flat angles P-C4'-P energy: -80.842
tors. eta vs tors. theta energy: -151.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1297.996424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.996424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.996424 (E_RNA)
where:
Base-Base interactions energy: -823.628
where: short stacking energy: -388.164
Base-Backbone interact. energy: -4.274
local terms energy: -470.094255
where:
bonds (distance) C4'-P energy: -91.477
bonds (distance) P-C4' energy: -91.239
flat angles C4'-P-C4' energy: -114.946
flat angles P-C4'-P energy: -72.179
tors. eta vs tors. theta energy: -100.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1025.529198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.529198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.529198 (E_RNA)
where:
Base-Base interactions energy: -589.916
where: short stacking energy: -270.129
Base-Backbone interact. energy: -1.568
local terms energy: -434.044821
where:
bonds (distance) C4'-P energy: -112.107
bonds (distance) P-C4' energy: -109.802
flat angles C4'-P-C4' energy: -111.012
flat angles P-C4'-P energy: -66.335
tors. eta vs tors. theta energy: -34.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1089.476590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.476590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.476590 (E_RNA)
where:
Base-Base interactions energy: -672.190
where: short stacking energy: -300.708
Base-Backbone interact. energy: 0.798
local terms energy: -418.084096
where:
bonds (distance) C4'-P energy: -83.564
bonds (distance) P-C4' energy: -88.665
flat angles C4'-P-C4' energy: -120.864
flat angles P-C4'-P energy: -66.912
tors. eta vs tors. theta energy: -58.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -714.156175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.156175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.156175 (E_RNA)
where:
Base-Base interactions energy: -337.908
where: short stacking energy: -181.930
Base-Backbone interact. energy: 1.271
local terms energy: -377.519387
where:
bonds (distance) C4'-P energy: -102.714
bonds (distance) P-C4' energy: -105.596
flat angles C4'-P-C4' energy: -94.525
flat angles P-C4'-P energy: -60.526
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -455.770696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.770696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.770696 (E_RNA)
where:
Base-Base interactions energy: -143.356
where: short stacking energy: -119.001
Base-Backbone interact. energy: 4.855
local terms energy: -317.269457
where:
bonds (distance) C4'-P energy: -101.669
bonds (distance) P-C4' energy: -108.710
flat angles C4'-P-C4' energy: -85.606
flat angles P-C4'-P energy: -50.959
tors. eta vs tors. theta energy: 29.673
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: 74
Temperature: 0.900000
Total energy: -2098.949697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.949697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.949697 (E_RNA)
where:
Base-Base interactions energy: -1425.898
where: short stacking energy: -621.885
Base-Backbone interact. energy: -2.385
local terms energy: -670.666268
where:
bonds (distance) C4'-P energy: -121.090
bonds (distance) P-C4' energy: -116.831
flat angles C4'-P-C4' energy: -141.768
flat angles P-C4'-P energy: -99.690
tors. eta vs tors. theta energy: -191.288
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: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1988.570361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.570361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.570361 (E_RNA)
where:
Base-Base interactions energy: -1366.632
where: short stacking energy: -547.809
Base-Backbone interact. energy: -4.142
local terms energy: -617.796712
where:
bonds (distance) C4'-P energy: -129.048
bonds (distance) P-C4' energy: -123.008
flat angles C4'-P-C4' energy: -125.024
flat angles P-C4'-P energy: -82.819
tors. eta vs tors. theta energy: -157.897
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: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1870.881317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.881317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.881317 (E_RNA)
where:
Base-Base interactions energy: -1258.424
where: short stacking energy: -519.796
Base-Backbone interact. energy: -1.643
local terms energy: -610.815099
where:
bonds (distance) C4'-P energy: -102.078
bonds (distance) P-C4' energy: -131.594
flat angles C4'-P-C4' energy: -140.038
flat angles P-C4'-P energy: -87.365
tors. eta vs tors. theta energy: -149.740
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: 74
Temperature: 1.050000
Total energy: -1759.824505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.824505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.824505 (E_RNA)
where:
Base-Base interactions energy: -1138.021
where: short stacking energy: -482.753
Base-Backbone interact. energy: -2.639
local terms energy: -619.165167
where:
bonds (distance) C4'-P energy: -113.455
bonds (distance) P-C4' energy: -124.391
flat angles C4'-P-C4' energy: -130.034
flat angles P-C4'-P energy: -101.678
tors. eta vs tors. theta energy: -149.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1718.732434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.732434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.732434 (E_RNA)
where:
Base-Base interactions energy: -1146.570
where: short stacking energy: -462.248
Base-Backbone interact. energy: -0.496
local terms energy: -571.666927
where:
bonds (distance) C4'-P energy: -126.898
bonds (distance) P-C4' energy: -115.151
flat angles C4'-P-C4' energy: -128.789
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -139.286
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: 74
Temperature: 1.150000
Total energy: -1315.832878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.832878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.832878 (E_RNA)
where:
Base-Base interactions energy: -812.592
where: short stacking energy: -363.990
Base-Backbone interact. energy: 0.675
local terms energy: -503.915580
where:
bonds (distance) C4'-P energy: -104.044
bonds (distance) P-C4' energy: -118.782
flat angles C4'-P-C4' energy: -126.565
flat angles P-C4'-P energy: -60.159
tors. eta vs tors. theta energy: -94.366
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: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1195.647031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.647031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.647031 (E_RNA)
where:
Base-Base interactions energy: -728.130
where: short stacking energy: -348.039
Base-Backbone interact. energy: -2.762
local terms energy: -464.754701
where:
bonds (distance) C4'-P energy: -106.637
bonds (distance) P-C4' energy: -98.481
flat angles C4'-P-C4' energy: -106.997
flat angles P-C4'-P energy: -72.368
tors. eta vs tors. theta energy: -80.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -973.552407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.552407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.552407 (E_RNA)
where:
Base-Base interactions energy: -563.861
where: short stacking energy: -268.443
Base-Backbone interact. energy: -2.669
local terms energy: -407.022136
where:
bonds (distance) C4'-P energy: -102.375
bonds (distance) P-C4' energy: -103.562
flat angles C4'-P-C4' energy: -109.510
flat angles P-C4'-P energy: -53.925
tors. eta vs tors. theta energy: -37.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -711.202321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.202321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.202321 (E_RNA)
where:
Base-Base interactions energy: -340.549
where: short stacking energy: -194.603
Base-Backbone interact. energy: -1.856
local terms energy: -368.798185
where:
bonds (distance) C4'-P energy: -105.612
bonds (distance) P-C4' energy: -104.518
flat angles C4'-P-C4' energy: -79.722
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -26.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -432.414318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.414318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.414318 (E_RNA)
where:
Base-Base interactions energy: -153.901
where: short stacking energy: -146.343
Base-Backbone interact. energy: -0.345
local terms energy: -278.168812
where:
bonds (distance) C4'-P energy: -92.810
bonds (distance) P-C4' energy: -90.717
flat angles C4'-P-C4' energy: -67.218
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2100.889658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.889658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.889658 (E_RNA)
where:
Base-Base interactions energy: -1430.050
where: short stacking energy: -617.802
Base-Backbone interact. energy: 2.093
local terms energy: -672.933033
where:
bonds (distance) C4'-P energy: -125.396
bonds (distance) P-C4' energy: -133.291
flat angles C4'-P-C4' energy: -140.342
flat angles P-C4'-P energy: -86.035
tors. eta vs tors. theta energy: -187.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2027.875634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.875634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.875634 (E_RNA)
where:
Base-Base interactions energy: -1388.784
where: short stacking energy: -557.169
Base-Backbone interact. energy: -5.236
local terms energy: -633.855648
where:
bonds (distance) C4'-P energy: -115.899
bonds (distance) P-C4' energy: -121.673
flat angles C4'-P-C4' energy: -126.005
flat angles P-C4'-P energy: -95.984
tors. eta vs tors. theta energy: -174.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1880.342236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.342236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.342236 (E_RNA)
where:
Base-Base interactions energy: -1285.916
where: short stacking energy: -533.401
Base-Backbone interact. energy: -0.217
local terms energy: -594.209182
where:
bonds (distance) C4'-P energy: -115.843
bonds (distance) P-C4' energy: -106.156
flat angles C4'-P-C4' energy: -137.189
flat angles P-C4'-P energy: -81.501
tors. eta vs tors. theta energy: -153.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1800.442327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.442327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.442327 (E_RNA)
where:
Base-Base interactions energy: -1221.076
where: short stacking energy: -504.459
Base-Backbone interact. energy: -0.366
local terms energy: -579.000515
where:
bonds (distance) C4'-P energy: -112.799
bonds (distance) P-C4' energy: -103.128
flat angles C4'-P-C4' energy: -130.269
flat angles P-C4'-P energy: -75.389
tors. eta vs tors. theta energy: -157.415
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: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1712.508603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.508603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.508603 (E_RNA)
where:
Base-Base interactions energy: -1138.227
where: short stacking energy: -478.800
Base-Backbone interact. energy: -3.572
local terms energy: -570.709779
where:
bonds (distance) C4'-P energy: -111.609
bonds (distance) P-C4' energy: -117.540
flat angles C4'-P-C4' energy: -120.961
flat angles P-C4'-P energy: -73.570
tors. eta vs tors. theta energy: -147.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1302.363530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.363530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.363530 (E_RNA)
where:
Base-Base interactions energy: -829.786
where: short stacking energy: -358.631
Base-Backbone interact. energy: 5.570
local terms energy: -478.147436
where:
bonds (distance) C4'-P energy: -107.235
bonds (distance) P-C4' energy: -113.133
flat angles C4'-P-C4' energy: -116.557
flat angles P-C4'-P energy: -62.609
tors. eta vs tors. theta energy: -78.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1165.298711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.298711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.298711 (E_RNA)
where:
Base-Base interactions energy: -699.355
where: short stacking energy: -332.338
Base-Backbone interact. energy: 4.489
local terms energy: -470.433082
where:
bonds (distance) C4'-P energy: -99.710
bonds (distance) P-C4' energy: -109.698
flat angles C4'-P-C4' energy: -123.330
flat angles P-C4'-P energy: -63.656
tors. eta vs tors. theta energy: -74.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -981.616979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.616979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.616979 (E_RNA)
where:
Base-Base interactions energy: -574.463
where: short stacking energy: -278.274
Base-Backbone interact. energy: -1.041
local terms energy: -406.112588
where:
bonds (distance) C4'-P energy: -92.531
bonds (distance) P-C4' energy: -108.027
flat angles C4'-P-C4' energy: -99.697
flat angles P-C4'-P energy: -63.855
tors. eta vs tors. theta energy: -42.003
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: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -739.707267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.707267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.707267 (E_RNA)
where:
Base-Base interactions energy: -342.687
where: short stacking energy: -194.552
Base-Backbone interact. energy: -0.601
local terms energy: -396.419236
where:
bonds (distance) C4'-P energy: -109.128
bonds (distance) P-C4' energy: -124.710
flat angles C4'-P-C4' energy: -86.947
flat angles P-C4'-P energy: -54.060
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -438.030507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.030507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.030507 (E_RNA)
where:
Base-Base interactions energy: -133.486
where: short stacking energy: -113.062
Base-Backbone interact. energy: 1.266
local terms energy: -305.810771
where:
bonds (distance) C4'-P energy: -92.586
bonds (distance) P-C4' energy: -98.285
flat angles C4'-P-C4' energy: -95.259
flat angles P-C4'-P energy: -57.236
tors. eta vs tors. theta energy: 37.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2076.006717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.006717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.006717 (E_RNA)
where:
Base-Base interactions energy: -1409.535
where: short stacking energy: -596.582
Base-Backbone interact. energy: -0.105
local terms energy: -666.366111
where:
bonds (distance) C4'-P energy: -133.545
bonds (distance) P-C4' energy: -122.249
flat angles C4'-P-C4' energy: -136.308
flat angles P-C4'-P energy: -98.221
tors. eta vs tors. theta energy: -176.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1997.226695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.226695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.226695 (E_RNA)
where:
Base-Base interactions energy: -1383.963
where: short stacking energy: -581.448
Base-Backbone interact. energy: -5.176
local terms energy: -608.087536
where:
bonds (distance) C4'-P energy: -126.851
bonds (distance) P-C4' energy: -111.222
flat angles C4'-P-C4' energy: -130.922
flat angles P-C4'-P energy: -74.052
tors. eta vs tors. theta energy: -165.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1921.468861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.468861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.468861 (E_RNA)
where:
Base-Base interactions energy: -1305.527
where: short stacking energy: -524.142
Base-Backbone interact. energy: -2.052
local terms energy: -613.889802
where:
bonds (distance) C4'-P energy: -124.210
bonds (distance) P-C4' energy: -109.610
flat angles C4'-P-C4' energy: -137.377
flat angles P-C4'-P energy: -92.046
tors. eta vs tors. theta energy: -150.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1790.144755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.144755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.144755 (E_RNA)
where:
Base-Base interactions energy: -1188.350
where: short stacking energy: -481.466
Base-Backbone interact. energy: -1.025
local terms energy: -600.769472
where:
bonds (distance) C4'-P energy: -116.468
bonds (distance) P-C4' energy: -127.752
flat angles C4'-P-C4' energy: -129.437
flat angles P-C4'-P energy: -79.643
tors. eta vs tors. theta energy: -147.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1644.794363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.794363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.794363 (E_RNA)
where:
Base-Base interactions energy: -1082.855
where: short stacking energy: -473.031
Base-Backbone interact. energy: -0.276
local terms energy: -561.663024
where:
bonds (distance) C4'-P energy: -105.973
bonds (distance) P-C4' energy: -114.066
flat angles C4'-P-C4' energy: -121.931
flat angles P-C4'-P energy: -81.621
tors. eta vs tors. theta energy: -138.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1290.348704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.348704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.348704 (E_RNA)
where:
Base-Base interactions energy: -781.957
where: short stacking energy: -367.890
Base-Backbone interact. energy: -2.551
local terms energy: -505.840396
where:
bonds (distance) C4'-P energy: -95.681
bonds (distance) P-C4' energy: -125.025
flat angles C4'-P-C4' energy: -108.761
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -100.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1210.882491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.882491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.882491 (E_RNA)
where:
Base-Base interactions energy: -720.009
where: short stacking energy: -334.259
Base-Backbone interact. energy: -1.470
local terms energy: -489.403645
where:
bonds (distance) C4'-P energy: -102.632
bonds (distance) P-C4' energy: -121.502
flat angles C4'-P-C4' energy: -114.889
flat angles P-C4'-P energy: -55.915
tors. eta vs tors. theta energy: -94.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -982.339094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.339094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.339094 (E_RNA)
where:
Base-Base interactions energy: -563.698
where: short stacking energy: -285.357
Base-Backbone interact. energy: -0.425
local terms energy: -418.216261
where:
bonds (distance) C4'-P energy: -94.784
bonds (distance) P-C4' energy: -94.082
flat angles C4'-P-C4' energy: -104.598
flat angles P-C4'-P energy: -74.777
tors. eta vs tors. theta energy: -49.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -757.287737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.287737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.287737 (E_RNA)
where:
Base-Base interactions energy: -395.880
where: short stacking energy: -228.367
Base-Backbone interact. energy: 1.732
local terms energy: -363.139701
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -107.291
flat angles C4'-P-C4' energy: -104.902
flat angles P-C4'-P energy: -28.394
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -445.931275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.931275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.931275 (E_RNA)
where:
Base-Base interactions energy: -148.315
where: short stacking energy: -131.419
Base-Backbone interact. energy: 9.519
local terms energy: -307.135339
where:
bonds (distance) C4'-P energy: -105.484
bonds (distance) P-C4' energy: -92.458
flat angles C4'-P-C4' energy: -73.685
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: 17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2072.467314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.467314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.467314 (E_RNA)
where:
Base-Base interactions energy: -1419.585
where: short stacking energy: -602.014
Base-Backbone interact. energy: 2.025
local terms energy: -654.907609
where:
bonds (distance) C4'-P energy: -128.230
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -136.500
flat angles P-C4'-P energy: -97.225
tors. eta vs tors. theta energy: -183.144
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2017.684914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.684914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.684914 (E_RNA)
where:
Base-Base interactions energy: -1382.647
where: short stacking energy: -567.110
Base-Backbone interact. energy: -5.977
local terms energy: -629.061260
where:
bonds (distance) C4'-P energy: -117.424
bonds (distance) P-C4' energy: -121.137
flat angles C4'-P-C4' energy: -131.665
flat angles P-C4'-P energy: -91.140
tors. eta vs tors. theta energy: -167.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1925.027304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.027304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.027304 (E_RNA)
where:
Base-Base interactions energy: -1296.160
where: short stacking energy: -515.794
Base-Backbone interact. energy: -2.006
local terms energy: -626.861337
where:
bonds (distance) C4'-P energy: -122.423
bonds (distance) P-C4' energy: -123.955
flat angles C4'-P-C4' energy: -136.016
flat angles P-C4'-P energy: -85.835
tors. eta vs tors. theta energy: -158.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1792.588617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.588617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.588617 (E_RNA)
where:
Base-Base interactions energy: -1218.328
where: short stacking energy: -498.699
Base-Backbone interact. energy: 1.604
local terms energy: -575.864929
where:
bonds (distance) C4'-P energy: -111.846
bonds (distance) P-C4' energy: -113.915
flat angles C4'-P-C4' energy: -128.790
flat angles P-C4'-P energy: -82.716
tors. eta vs tors. theta energy: -138.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1656.981369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.981369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.981369 (E_RNA)
where:
Base-Base interactions energy: -1084.651
where: short stacking energy: -483.514
Base-Backbone interact. energy: -0.229
local terms energy: -572.101581
where:
bonds (distance) C4'-P energy: -118.781
bonds (distance) P-C4' energy: -96.065
flat angles C4'-P-C4' energy: -122.149
flat angles P-C4'-P energy: -89.376
tors. eta vs tors. theta energy: -145.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1352.791884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.791884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.791884 (E_RNA)
where:
Base-Base interactions energy: -875.589
where: short stacking energy: -363.884
Base-Backbone interact. energy: 4.872
local terms energy: -482.074334
where:
bonds (distance) C4'-P energy: -111.477
bonds (distance) P-C4' energy: -100.880
flat angles C4'-P-C4' energy: -106.009
flat angles P-C4'-P energy: -75.557
tors. eta vs tors. theta energy: -88.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1165.164274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.164274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.164274 (E_RNA)
where:
Base-Base interactions energy: -741.057
where: short stacking energy: -320.138
Base-Backbone interact. energy: -0.688
local terms energy: -423.419564
where:
bonds (distance) C4'-P energy: -103.245
bonds (distance) P-C4' energy: -104.075
flat angles C4'-P-C4' energy: -87.815
flat angles P-C4'-P energy: -67.962
tors. eta vs tors. theta energy: -60.323
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: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -957.358494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.358494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.358494 (E_RNA)
where:
Base-Base interactions energy: -566.492
where: short stacking energy: -286.572
Base-Backbone interact. energy: -4.013
local terms energy: -386.853578
where:
bonds (distance) C4'-P energy: -107.186
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -85.705
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -37.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -797.505757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.505757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.505757 (E_RNA)
where:
Base-Base interactions energy: -410.883
where: short stacking energy: -226.429
Base-Backbone interact. energy: 0.027
local terms energy: -386.649498
where:
bonds (distance) C4'-P energy: -96.105
bonds (distance) P-C4' energy: -99.965
flat angles C4'-P-C4' energy: -110.728
flat angles P-C4'-P energy: -59.368
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -454.489574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.489574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.489574 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -105.371
Base-Backbone interact. energy: -3.551
local terms energy: -313.831021
where:
bonds (distance) C4'-P energy: -119.130
bonds (distance) P-C4' energy: -86.048
flat angles C4'-P-C4' energy: -80.284
flat angles P-C4'-P energy: -64.693
tors. eta vs tors. theta energy: 36.324
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: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2094.375420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.375420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.375420 (E_RNA)
where:
Base-Base interactions energy: -1385.462
where: short stacking energy: -587.662
Base-Backbone interact. energy: -1.617
local terms energy: -707.296710
where:
bonds (distance) C4'-P energy: -131.010
bonds (distance) P-C4' energy: -134.779
flat angles C4'-P-C4' energy: -145.715
flat angles P-C4'-P energy: -109.231
tors. eta vs tors. theta energy: -186.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1996.648295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.648295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.648295 (E_RNA)
where:
Base-Base interactions energy: -1360.238
where: short stacking energy: -552.196
Base-Backbone interact. energy: -1.734
local terms energy: -634.676512
where:
bonds (distance) C4'-P energy: -120.188
bonds (distance) P-C4' energy: -127.483
flat angles C4'-P-C4' energy: -138.300
flat angles P-C4'-P energy: -83.419
tors. eta vs tors. theta energy: -165.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1928.431169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.431169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.431169 (E_RNA)
where:
Base-Base interactions energy: -1308.103
where: short stacking energy: -552.266
Base-Backbone interact. energy: -3.632
local terms energy: -616.696238
where:
bonds (distance) C4'-P energy: -116.451
bonds (distance) P-C4' energy: -125.382
flat angles C4'-P-C4' energy: -128.426
flat angles P-C4'-P energy: -85.170
tors. eta vs tors. theta energy: -161.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1765.662113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.662113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.662113 (E_RNA)
where:
Base-Base interactions energy: -1172.315
where: short stacking energy: -481.681
Base-Backbone interact. energy: -3.056
local terms energy: -590.291018
where:
bonds (distance) C4'-P energy: -103.363
bonds (distance) P-C4' energy: -122.770
flat angles C4'-P-C4' energy: -134.464
flat angles P-C4'-P energy: -90.226
tors. eta vs tors. theta energy: -139.467
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: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1668.699763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.699763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.699763 (E_RNA)
where:
Base-Base interactions energy: -1086.782
where: short stacking energy: -469.751
Base-Backbone interact. energy: -4.154
local terms energy: -577.764038
where:
bonds (distance) C4'-P energy: -109.045
bonds (distance) P-C4' energy: -113.691
flat angles C4'-P-C4' energy: -127.207
flat angles P-C4'-P energy: -82.669
tors. eta vs tors. theta energy: -145.152
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: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1364.255589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.255589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.255589 (E_RNA)
where:
Base-Base interactions energy: -843.641
where: short stacking energy: -363.138
Base-Backbone interact. energy: -3.344
local terms energy: -517.270594
where:
bonds (distance) C4'-P energy: -119.642
bonds (distance) P-C4' energy: -110.660
flat angles C4'-P-C4' energy: -125.747
flat angles P-C4'-P energy: -77.363
tors. eta vs tors. theta energy: -83.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1141.359938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.359938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.359938 (E_RNA)
where:
Base-Base interactions energy: -706.025
where: short stacking energy: -330.873
Base-Backbone interact. energy: 0.710
local terms energy: -436.045161
where:
bonds (distance) C4'-P energy: -111.744
bonds (distance) P-C4' energy: -107.072
flat angles C4'-P-C4' energy: -109.476
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -55.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1053.405654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.405654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.405654 (E_RNA)
where:
Base-Base interactions energy: -616.813
where: short stacking energy: -290.951
Base-Backbone interact. energy: 0.585
local terms energy: -437.177388
where:
bonds (distance) C4'-P energy: -89.412
bonds (distance) P-C4' energy: -100.705
flat angles C4'-P-C4' energy: -111.073
flat angles P-C4'-P energy: -78.293
tors. eta vs tors. theta energy: -57.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -754.834897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.834897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.834897 (E_RNA)
where:
Base-Base interactions energy: -358.716
where: short stacking energy: -203.989
Base-Backbone interact. energy: 0.296
local terms energy: -396.415433
where:
bonds (distance) C4'-P energy: -100.645
bonds (distance) P-C4' energy: -118.453
flat angles C4'-P-C4' energy: -92.052
flat angles P-C4'-P energy: -58.581
tors. eta vs tors. theta energy: -26.684
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: 78
Temperature: 1.350000
Total energy: -437.642353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.642353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.642353 (E_RNA)
where:
Base-Base interactions energy: -152.072
where: short stacking energy: -110.758
Base-Backbone interact. energy: 10.071
local terms energy: -295.640892
where:
bonds (distance) C4'-P energy: -107.162
bonds (distance) P-C4' energy: -96.542
flat angles C4'-P-C4' energy: -72.692
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: 27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2098.139737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.139737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.139737 (E_RNA)
where:
Base-Base interactions energy: -1434.417
where: short stacking energy: -610.727
Base-Backbone interact. energy: -0.070
local terms energy: -663.652748
where:
bonds (distance) C4'-P energy: -113.706
bonds (distance) P-C4' energy: -134.821
flat angles C4'-P-C4' energy: -143.787
flat angles P-C4'-P energy: -80.705
tors. eta vs tors. theta energy: -190.633
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1981.382506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.382506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.382506 (E_RNA)
where:
Base-Base interactions energy: -1342.388
where: short stacking energy: -558.770
Base-Backbone interact. energy: -3.237
local terms energy: -635.757657
where:
bonds (distance) C4'-P energy: -129.556
bonds (distance) P-C4' energy: -120.895
flat angles C4'-P-C4' energy: -137.847
flat angles P-C4'-P energy: -83.589
tors. eta vs tors. theta energy: -163.871
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1938.468950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.468950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.468950 (E_RNA)
where:
Base-Base interactions energy: -1311.274
where: short stacking energy: -543.466
Base-Backbone interact. energy: -3.629
local terms energy: -623.566072
where:
bonds (distance) C4'-P energy: -125.334
bonds (distance) P-C4' energy: -114.938
flat angles C4'-P-C4' energy: -133.728
flat angles P-C4'-P energy: -97.424
tors. eta vs tors. theta energy: -152.142
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: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1721.660156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.660156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.660156 (E_RNA)
where:
Base-Base interactions energy: -1144.326
where: short stacking energy: -480.074
Base-Backbone interact. energy: 1.845
local terms energy: -579.179034
where:
bonds (distance) C4'-P energy: -117.459
bonds (distance) P-C4' energy: -122.515
flat angles C4'-P-C4' energy: -133.620
flat angles P-C4'-P energy: -73.392
tors. eta vs tors. theta energy: -132.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1664.950999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.950999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.950999 (E_RNA)
where:
Base-Base interactions energy: -1093.882
where: short stacking energy: -464.872
Base-Backbone interact. energy: 3.404
local terms energy: -574.472531
where:
bonds (distance) C4'-P energy: -112.700
bonds (distance) P-C4' energy: -125.075
flat angles C4'-P-C4' energy: -119.850
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -130.972
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: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1336.096896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.096896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.096896 (E_RNA)
where:
Base-Base interactions energy: -844.055
where: short stacking energy: -381.078
Base-Backbone interact. energy: -2.578
local terms energy: -489.463929
where:
bonds (distance) C4'-P energy: -105.856
bonds (distance) P-C4' energy: -114.729
flat angles C4'-P-C4' energy: -122.985
flat angles P-C4'-P energy: -63.395
tors. eta vs tors. theta energy: -82.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1100.216949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.216949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.216949 (E_RNA)
where:
Base-Base interactions energy: -634.075
where: short stacking energy: -300.691
Base-Backbone interact. energy: -2.044
local terms energy: -464.097260
where:
bonds (distance) C4'-P energy: -108.610
bonds (distance) P-C4' energy: -109.377
flat angles C4'-P-C4' energy: -109.333
flat angles P-C4'-P energy: -70.288
tors. eta vs tors. theta energy: -66.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -973.060159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.060159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.060159 (E_RNA)
where:
Base-Base interactions energy: -589.559
where: short stacking energy: -276.835
Base-Backbone interact. energy: 1.072
local terms energy: -384.572463
where:
bonds (distance) C4'-P energy: -92.782
bonds (distance) P-C4' energy: -86.864
flat angles C4'-P-C4' energy: -102.357
flat angles P-C4'-P energy: -76.106
tors. eta vs tors. theta energy: -26.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -800.083934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.083934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.083934 (E_RNA)
where:
Base-Base interactions energy: -400.355
where: short stacking energy: -229.630
Base-Backbone interact. energy: -1.584
local terms energy: -398.144646
where:
bonds (distance) C4'-P energy: -100.603
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -93.132
flat angles P-C4'-P energy: -66.852
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -433.280963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.280963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.280963 (E_RNA)
where:
Base-Base interactions energy: -111.897
where: short stacking energy: -89.314
Base-Backbone interact. energy: 3.873
local terms energy: -325.257249
where:
bonds (distance) C4'-P energy: -103.505
bonds (distance) P-C4' energy: -118.263
flat angles C4'-P-C4' energy: -101.245
flat angles P-C4'-P energy: -44.733
tors. eta vs tors. theta energy: 42.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2116.686441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.686441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.686441 (E_RNA)
where:
Base-Base interactions energy: -1438.074
where: short stacking energy: -616.749
Base-Backbone interact. energy: -3.631
local terms energy: -674.981786
where:
bonds (distance) C4'-P energy: -126.795
bonds (distance) P-C4' energy: -121.235
flat angles C4'-P-C4' energy: -142.005
flat angles P-C4'-P energy: -91.278
tors. eta vs tors. theta energy: -193.668
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: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2017.661227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.661227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.661227 (E_RNA)
where:
Base-Base interactions energy: -1366.136
where: short stacking energy: -567.196
Base-Backbone interact. energy: 1.331
local terms energy: -652.856023
where:
bonds (distance) C4'-P energy: -129.791
bonds (distance) P-C4' energy: -115.150
flat angles C4'-P-C4' energy: -139.020
flat angles P-C4'-P energy: -94.749
tors. eta vs tors. theta energy: -174.147
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: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1926.530276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.530276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.530276 (E_RNA)
where:
Base-Base interactions energy: -1299.435
where: short stacking energy: -535.050
Base-Backbone interact. energy: -3.894
local terms energy: -623.201097
where:
bonds (distance) C4'-P energy: -106.494
bonds (distance) P-C4' energy: -123.928
flat angles C4'-P-C4' energy: -142.365
flat angles P-C4'-P energy: -89.040
tors. eta vs tors. theta energy: -161.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1718.447321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.447321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.447321 (E_RNA)
where:
Base-Base interactions energy: -1173.908
where: short stacking energy: -498.940
Base-Backbone interact. energy: -2.497
local terms energy: -542.041763
where:
bonds (distance) C4'-P energy: -114.317
bonds (distance) P-C4' energy: -105.510
flat angles C4'-P-C4' energy: -125.715
flat angles P-C4'-P energy: -65.314
tors. eta vs tors. theta energy: -131.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1647.112211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.112211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.112211 (E_RNA)
where:
Base-Base interactions energy: -1073.415
where: short stacking energy: -470.304
Base-Backbone interact. energy: -2.466
local terms energy: -571.231474
where:
bonds (distance) C4'-P energy: -121.904
bonds (distance) P-C4' energy: -104.952
flat angles C4'-P-C4' energy: -128.050
flat angles P-C4'-P energy: -86.114
tors. eta vs tors. theta energy: -130.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1377.702149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.702149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.702149 (E_RNA)
where:
Base-Base interactions energy: -856.601
where: short stacking energy: -369.153
Base-Backbone interact. energy: 2.448
local terms energy: -523.548560
where:
bonds (distance) C4'-P energy: -108.235
bonds (distance) P-C4' energy: -112.248
flat angles C4'-P-C4' energy: -122.590
flat angles P-C4'-P energy: -81.309
tors. eta vs tors. theta energy: -99.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1128.790112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.790112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.790112 (E_RNA)
where:
Base-Base interactions energy: -677.550
where: short stacking energy: -289.089
Base-Backbone interact. energy: -1.517
local terms energy: -449.723778
where:
bonds (distance) C4'-P energy: -103.487
bonds (distance) P-C4' energy: -114.975
flat angles C4'-P-C4' energy: -89.370
flat angles P-C4'-P energy: -76.380
tors. eta vs tors. theta energy: -65.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -942.761831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.761831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.761831 (E_RNA)
where:
Base-Base interactions energy: -554.056
where: short stacking energy: -254.373
Base-Backbone interact. energy: -0.072
local terms energy: -388.634075
where:
bonds (distance) C4'-P energy: -95.751
bonds (distance) P-C4' energy: -102.561
flat angles C4'-P-C4' energy: -107.626
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -771.725350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.725350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.725350 (E_RNA)
where:
Base-Base interactions energy: -378.945
where: short stacking energy: -213.166
Base-Backbone interact. energy: 2.531
local terms energy: -395.310399
where:
bonds (distance) C4'-P energy: -105.035
bonds (distance) P-C4' energy: -98.509
flat angles C4'-P-C4' energy: -108.088
flat angles P-C4'-P energy: -64.308
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -441.056104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.056104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.056104 (E_RNA)
where:
Base-Base interactions energy: -144.083
where: short stacking energy: -86.798
Base-Backbone interact. energy: 0.491
local terms energy: -297.463857
where:
bonds (distance) C4'-P energy: -98.193
bonds (distance) P-C4' energy: -109.963
flat angles C4'-P-C4' energy: -82.651
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: 33.883
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: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2127.822600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.822600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.822600 (E_RNA)
where:
Base-Base interactions energy: -1427.818
where: short stacking energy: -607.010
Base-Backbone interact. energy: -0.930
local terms energy: -699.074921
where:
bonds (distance) C4'-P energy: -141.606
bonds (distance) P-C4' energy: -127.984
flat angles C4'-P-C4' energy: -149.081
flat angles P-C4'-P energy: -89.201
tors. eta vs tors. theta energy: -191.203
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: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1993.628647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.628647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.628647 (E_RNA)
where:
Base-Base interactions energy: -1347.506
where: short stacking energy: -579.536
Base-Backbone interact. energy: 1.325
local terms energy: -647.448465
where:
bonds (distance) C4'-P energy: -118.274
bonds (distance) P-C4' energy: -114.895
flat angles C4'-P-C4' energy: -152.695
flat angles P-C4'-P energy: -86.194
tors. eta vs tors. theta energy: -175.391
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: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1914.500261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.500261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.500261 (E_RNA)
where:
Base-Base interactions energy: -1310.607
where: short stacking energy: -505.891
Base-Backbone interact. energy: -2.930
local terms energy: -600.962632
where:
bonds (distance) C4'-P energy: -113.040
bonds (distance) P-C4' energy: -125.486
flat angles C4'-P-C4' energy: -130.088
flat angles P-C4'-P energy: -71.448
tors. eta vs tors. theta energy: -160.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1678.729688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.729688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.729688 (E_RNA)
where:
Base-Base interactions energy: -1098.239
where: short stacking energy: -464.143
Base-Backbone interact. energy: -0.362
local terms energy: -580.129618
where:
bonds (distance) C4'-P energy: -109.122
bonds (distance) P-C4' energy: -132.361
flat angles C4'-P-C4' energy: -123.004
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -140.266
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: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1679.781427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.781427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.781427 (E_RNA)
where:
Base-Base interactions energy: -1122.304
where: short stacking energy: -465.913
Base-Backbone interact. energy: -3.315
local terms energy: -554.163047
where:
bonds (distance) C4'-P energy: -119.611
bonds (distance) P-C4' energy: -113.980
flat angles C4'-P-C4' energy: -108.946
flat angles P-C4'-P energy: -78.312
tors. eta vs tors. theta energy: -133.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1408.130928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.130928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.130928 (E_RNA)
where:
Base-Base interactions energy: -876.585
where: short stacking energy: -376.475
Base-Backbone interact. energy: -3.349
local terms energy: -528.197641
where:
bonds (distance) C4'-P energy: -112.873
bonds (distance) P-C4' energy: -107.050
flat angles C4'-P-C4' energy: -110.426
flat angles P-C4'-P energy: -86.308
tors. eta vs tors. theta energy: -111.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1192.648554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.648554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.648554 (E_RNA)
where:
Base-Base interactions energy: -718.482
where: short stacking energy: -346.199
Base-Backbone interact. energy: -1.564
local terms energy: -472.603458
where:
bonds (distance) C4'-P energy: -109.874
bonds (distance) P-C4' energy: -110.063
flat angles C4'-P-C4' energy: -104.122
flat angles P-C4'-P energy: -64.168
tors. eta vs tors. theta energy: -84.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -953.517577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.517577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.517577 (E_RNA)
where:
Base-Base interactions energy: -569.463
where: short stacking energy: -261.600
Base-Backbone interact. energy: 0.523
local terms energy: -384.577221
where:
bonds (distance) C4'-P energy: -89.329
bonds (distance) P-C4' energy: -86.260
flat angles C4'-P-C4' energy: -91.463
flat angles P-C4'-P energy: -77.916
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -770.995754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.995754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.995754 (E_RNA)
where:
Base-Base interactions energy: -367.682
where: short stacking energy: -209.859
Base-Backbone interact. energy: 2.136
local terms energy: -405.449870
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -116.074
flat angles C4'-P-C4' energy: -103.739
flat angles P-C4'-P energy: -57.581
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -441.238105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.238105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.238105 (E_RNA)
where:
Base-Base interactions energy: -121.481
where: short stacking energy: -117.592
Base-Backbone interact. energy: -0.764
local terms energy: -318.992917
where:
bonds (distance) C4'-P energy: -91.447
bonds (distance) P-C4' energy: -113.158
flat angles C4'-P-C4' energy: -85.694
flat angles P-C4'-P energy: -47.785
tors. eta vs tors. theta energy: 19.092
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: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2085.073566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.073566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.073566 (E_RNA)
where:
Base-Base interactions energy: -1430.164
where: short stacking energy: -601.082
Base-Backbone interact. energy: -3.045
local terms energy: -651.864436
where:
bonds (distance) C4'-P energy: -128.179
bonds (distance) P-C4' energy: -115.859
flat angles C4'-P-C4' energy: -134.403
flat angles P-C4'-P energy: -99.636
tors. eta vs tors. theta energy: -173.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1986.225511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.225511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.225511 (E_RNA)
where:
Base-Base interactions energy: -1356.007
where: short stacking energy: -587.763
Base-Backbone interact. energy: -2.131
local terms energy: -628.087802
where:
bonds (distance) C4'-P energy: -112.887
bonds (distance) P-C4' energy: -135.439
flat angles C4'-P-C4' energy: -132.754
flat angles P-C4'-P energy: -74.761
tors. eta vs tors. theta energy: -172.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1911.852847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.852847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.852847 (E_RNA)
where:
Base-Base interactions energy: -1286.072
where: short stacking energy: -518.207
Base-Backbone interact. energy: 2.275
local terms energy: -628.055850
where:
bonds (distance) C4'-P energy: -112.095
bonds (distance) P-C4' energy: -115.130
flat angles C4'-P-C4' energy: -155.379
flat angles P-C4'-P energy: -79.180
tors. eta vs tors. theta energy: -166.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1719.129578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.129578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.129578 (E_RNA)
where:
Base-Base interactions energy: -1125.495
where: short stacking energy: -498.825
Base-Backbone interact. energy: -0.055
local terms energy: -593.579117
where:
bonds (distance) C4'-P energy: -106.924
bonds (distance) P-C4' energy: -128.376
flat angles C4'-P-C4' energy: -135.397
flat angles P-C4'-P energy: -87.463
tors. eta vs tors. theta energy: -135.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1665.624451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.624451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.624451 (E_RNA)
where:
Base-Base interactions energy: -1092.707
where: short stacking energy: -473.508
Base-Backbone interact. energy: 2.584
local terms energy: -575.501148
where:
bonds (distance) C4'-P energy: -115.115
bonds (distance) P-C4' energy: -113.498
flat angles C4'-P-C4' energy: -110.739
flat angles P-C4'-P energy: -78.149
tors. eta vs tors. theta energy: -158.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1407.270531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.270531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.270531 (E_RNA)
where:
Base-Base interactions energy: -888.169
where: short stacking energy: -415.640
Base-Backbone interact. energy: -0.202
local terms energy: -518.899621
where:
bonds (distance) C4'-P energy: -104.407
bonds (distance) P-C4' energy: -117.657
flat angles C4'-P-C4' energy: -108.472
flat angles P-C4'-P energy: -78.906
tors. eta vs tors. theta energy: -109.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1154.701404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.701404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.701404 (E_RNA)
where:
Base-Base interactions energy: -666.116
where: short stacking energy: -331.109
Base-Backbone interact. energy: 4.806
local terms energy: -493.391283
where:
bonds (distance) C4'-P energy: -112.846
bonds (distance) P-C4' energy: -108.273
flat angles C4'-P-C4' energy: -127.879
flat angles P-C4'-P energy: -65.357
tors. eta vs tors. theta energy: -79.037
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: 82
Temperature: 1.250000
Total energy: -863.896660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.896660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.896660 (E_RNA)
where:
Base-Base interactions energy: -464.941
where: short stacking energy: -245.403
Base-Backbone interact. energy: -3.162
local terms energy: -395.793292
where:
bonds (distance) C4'-P energy: -96.417
bonds (distance) P-C4' energy: -124.822
flat angles C4'-P-C4' energy: -90.011
flat angles P-C4'-P energy: -56.555
tors. eta vs tors. theta energy: -27.988
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: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -741.718218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.718218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.718218 (E_RNA)
where:
Base-Base interactions energy: -385.761
where: short stacking energy: -197.581
Base-Backbone interact. energy: -0.662
local terms energy: -355.294683
where:
bonds (distance) C4'-P energy: -97.726
bonds (distance) P-C4' energy: -91.477
flat angles C4'-P-C4' energy: -99.415
flat angles P-C4'-P energy: -56.330
tors. eta vs tors. theta energy: -10.347
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: 82
Temperature: 1.350000
Total energy: -482.285945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.285945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.285945 (E_RNA)
where:
Base-Base interactions energy: -163.072
where: short stacking energy: -139.773
Base-Backbone interact. energy: 0.971
local terms energy: -320.184436
where:
bonds (distance) C4'-P energy: -91.018
bonds (distance) P-C4' energy: -106.724
flat angles C4'-P-C4' energy: -87.924
flat angles P-C4'-P energy: -60.236
tors. eta vs tors. theta energy: 25.717
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: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2077.709804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.709804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.709804 (E_RNA)
where:
Base-Base interactions energy: -1407.676
where: short stacking energy: -601.950
Base-Backbone interact. energy: -1.538
local terms energy: -668.496078
where:
bonds (distance) C4'-P energy: -130.668
bonds (distance) P-C4' energy: -127.190
flat angles C4'-P-C4' energy: -152.927
flat angles P-C4'-P energy: -75.507
tors. eta vs tors. theta energy: -182.204
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: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1982.336778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.336778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.336778 (E_RNA)
where:
Base-Base interactions energy: -1331.262
where: short stacking energy: -560.670
Base-Backbone interact. energy: -2.551
local terms energy: -648.523992
where:
bonds (distance) C4'-P energy: -119.161
bonds (distance) P-C4' energy: -121.232
flat angles C4'-P-C4' energy: -145.694
flat angles P-C4'-P energy: -97.202
tors. eta vs tors. theta energy: -165.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1938.257315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.257315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.257315 (E_RNA)
where:
Base-Base interactions energy: -1304.377
where: short stacking energy: -567.419
Base-Backbone interact. energy: -4.893
local terms energy: -628.987229
where:
bonds (distance) C4'-P energy: -119.246
bonds (distance) P-C4' energy: -119.835
flat angles C4'-P-C4' energy: -137.902
flat angles P-C4'-P energy: -89.440
tors. eta vs tors. theta energy: -162.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1711.698792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.698792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.698792 (E_RNA)
where:
Base-Base interactions energy: -1134.651
where: short stacking energy: -485.072
Base-Backbone interact. energy: -0.334
local terms energy: -576.713247
where:
bonds (distance) C4'-P energy: -118.374
bonds (distance) P-C4' energy: -96.960
flat angles C4'-P-C4' energy: -131.859
flat angles P-C4'-P energy: -86.686
tors. eta vs tors. theta energy: -142.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1617.218780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.218780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.218780 (E_RNA)
where:
Base-Base interactions energy: -1090.426
where: short stacking energy: -463.422
Base-Backbone interact. energy: -1.114
local terms energy: -525.678420
where:
bonds (distance) C4'-P energy: -92.278
bonds (distance) P-C4' energy: -102.322
flat angles C4'-P-C4' energy: -114.580
flat angles P-C4'-P energy: -75.922
tors. eta vs tors. theta energy: -140.576
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: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1334.019443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.019443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.019443 (E_RNA)
where:
Base-Base interactions energy: -836.555
where: short stacking energy: -375.822
Base-Backbone interact. energy: 10.152
local terms energy: -507.616091
where:
bonds (distance) C4'-P energy: -109.265
bonds (distance) P-C4' energy: -115.024
flat angles C4'-P-C4' energy: -104.325
flat angles P-C4'-P energy: -89.480
tors. eta vs tors. theta energy: -89.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1131.270466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.270466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.270466 (E_RNA)
where:
Base-Base interactions energy: -667.902
where: short stacking energy: -316.272
Base-Backbone interact. energy: -1.284
local terms energy: -462.085143
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -117.218
flat angles C4'-P-C4' energy: -108.188
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -61.637
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: 83
Temperature: 1.250000
Total energy: -891.185797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.185797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.185797 (E_RNA)
where:
Base-Base interactions energy: -456.122
where: short stacking energy: -240.249
Base-Backbone interact. energy: -1.624
local terms energy: -433.439619
where:
bonds (distance) C4'-P energy: -102.460
bonds (distance) P-C4' energy: -114.879
flat angles C4'-P-C4' energy: -102.324
flat angles P-C4'-P energy: -85.618
tors. eta vs tors. theta energy: -28.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -725.099866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.099866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.099866 (E_RNA)
where:
Base-Base interactions energy: -350.771
where: short stacking energy: -183.609
Base-Backbone interact. energy: -0.146
local terms energy: -374.183467
where:
bonds (distance) C4'-P energy: -113.073
bonds (distance) P-C4' energy: -96.066
flat angles C4'-P-C4' energy: -91.764
flat angles P-C4'-P energy: -59.701
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -466.913126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.913126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.913126 (E_RNA)
where:
Base-Base interactions energy: -168.673
where: short stacking energy: -128.685
Base-Backbone interact. energy: 2.846
local terms energy: -301.086322
where:
bonds (distance) C4'-P energy: -106.742
bonds (distance) P-C4' energy: -89.197
flat angles C4'-P-C4' energy: -76.733
flat angles P-C4'-P energy: -43.199
tors. eta vs tors. theta energy: 14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2062.487362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.487362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.487362 (E_RNA)
where:
Base-Base interactions energy: -1391.991
where: short stacking energy: -603.738
Base-Backbone interact. energy: -1.599
local terms energy: -668.897414
where:
bonds (distance) C4'-P energy: -141.154
bonds (distance) P-C4' energy: -104.447
flat angles C4'-P-C4' energy: -146.322
flat angles P-C4'-P energy: -95.227
tors. eta vs tors. theta energy: -181.749
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: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1972.703810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.703810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.703810 (E_RNA)
where:
Base-Base interactions energy: -1366.582
where: short stacking energy: -566.405
Base-Backbone interact. energy: -1.659
local terms energy: -604.462357
where:
bonds (distance) C4'-P energy: -108.172
bonds (distance) P-C4' energy: -118.400
flat angles C4'-P-C4' energy: -133.231
flat angles P-C4'-P energy: -82.083
tors. eta vs tors. theta energy: -162.577
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: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1914.406762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.406762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.406762 (E_RNA)
where:
Base-Base interactions energy: -1308.745
where: short stacking energy: -551.693
Base-Backbone interact. energy: -2.267
local terms energy: -603.394537
where:
bonds (distance) C4'-P energy: -110.679
bonds (distance) P-C4' energy: -120.075
flat angles C4'-P-C4' energy: -140.191
flat angles P-C4'-P energy: -76.111
tors. eta vs tors. theta energy: -156.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1714.558338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.558338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.558338 (E_RNA)
where:
Base-Base interactions energy: -1133.459
where: short stacking energy: -472.763
Base-Backbone interact. energy: -1.691
local terms energy: -579.408816
where:
bonds (distance) C4'-P energy: -124.148
bonds (distance) P-C4' energy: -111.429
flat angles C4'-P-C4' energy: -133.473
flat angles P-C4'-P energy: -69.818
tors. eta vs tors. theta energy: -140.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1581.152821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.152821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.152821 (E_RNA)
where:
Base-Base interactions energy: -1045.291
where: short stacking energy: -457.559
Base-Backbone interact. energy: -1.548
local terms energy: -534.314120
where:
bonds (distance) C4'-P energy: -90.091
bonds (distance) P-C4' energy: -92.714
flat angles C4'-P-C4' energy: -127.745
flat angles P-C4'-P energy: -87.715
tors. eta vs tors. theta energy: -136.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1382.786148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.786148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.786148 (E_RNA)
where:
Base-Base interactions energy: -877.272
where: short stacking energy: -392.056
Base-Backbone interact. energy: -2.037
local terms energy: -503.476908
where:
bonds (distance) C4'-P energy: -98.684
bonds (distance) P-C4' energy: -119.584
flat angles C4'-P-C4' energy: -115.513
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -95.704
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: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1086.689427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.689427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.689427 (E_RNA)
where:
Base-Base interactions energy: -656.476
where: short stacking energy: -303.117
Base-Backbone interact. energy: -1.369
local terms energy: -428.844907
where:
bonds (distance) C4'-P energy: -113.639
bonds (distance) P-C4' energy: -116.140
flat angles C4'-P-C4' energy: -95.215
flat angles P-C4'-P energy: -61.553
tors. eta vs tors. theta energy: -42.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -910.957099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.957099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.957099 (E_RNA)
where:
Base-Base interactions energy: -505.390
where: short stacking energy: -252.108
Base-Backbone interact. energy: 0.568
local terms energy: -406.134779
where:
bonds (distance) C4'-P energy: -92.850
bonds (distance) P-C4' energy: -111.645
flat angles C4'-P-C4' energy: -99.933
flat angles P-C4'-P energy: -68.414
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -743.319541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.319541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.319541 (E_RNA)
where:
Base-Base interactions energy: -366.089
where: short stacking energy: -192.485
Base-Backbone interact. energy: 0.481
local terms energy: -377.712025
where:
bonds (distance) C4'-P energy: -107.233
bonds (distance) P-C4' energy: -113.341
flat angles C4'-P-C4' energy: -96.516
flat angles P-C4'-P energy: -60.040
tors. eta vs tors. theta energy: -0.583
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: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -444.298736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.298736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.298736 (E_RNA)
where:
Base-Base interactions energy: -143.073
where: short stacking energy: -127.887
Base-Backbone interact. energy: 4.696
local terms energy: -305.921340
where:
bonds (distance) C4'-P energy: -79.340
bonds (distance) P-C4' energy: -94.329
flat angles C4'-P-C4' energy: -95.310
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: 24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2090.062031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.062031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.062031 (E_RNA)
where:
Base-Base interactions energy: -1418.998
where: short stacking energy: -596.942
Base-Backbone interact. energy: 2.628
local terms energy: -673.692278
where:
bonds (distance) C4'-P energy: -121.961
bonds (distance) P-C4' energy: -119.020
flat angles C4'-P-C4' energy: -151.601
flat angles P-C4'-P energy: -96.700
tors. eta vs tors. theta energy: -184.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2029.563018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.563018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.563018 (E_RNA)
where:
Base-Base interactions energy: -1398.788
where: short stacking energy: -545.622
Base-Backbone interact. energy: -2.371
local terms energy: -628.403436
where:
bonds (distance) C4'-P energy: -122.067
bonds (distance) P-C4' energy: -124.886
flat angles C4'-P-C4' energy: -131.371
flat angles P-C4'-P energy: -90.083
tors. eta vs tors. theta energy: -159.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1943.272781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.272781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.272781 (E_RNA)
where:
Base-Base interactions energy: -1323.857
where: short stacking energy: -547.149
Base-Backbone interact. energy: -4.712
local terms energy: -614.703403
where:
bonds (distance) C4'-P energy: -112.003
bonds (distance) P-C4' energy: -116.716
flat angles C4'-P-C4' energy: -135.047
flat angles P-C4'-P energy: -94.696
tors. eta vs tors. theta energy: -156.242
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: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1680.686565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.686565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.686565 (E_RNA)
where:
Base-Base interactions energy: -1105.095
where: short stacking energy: -472.079
Base-Backbone interact. energy: 2.194
local terms energy: -577.785361
where:
bonds (distance) C4'-P energy: -123.485
bonds (distance) P-C4' energy: -110.257
flat angles C4'-P-C4' energy: -146.602
flat angles P-C4'-P energy: -74.944
tors. eta vs tors. theta energy: -122.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1649.437917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.437917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.437917 (E_RNA)
where:
Base-Base interactions energy: -1089.664
where: short stacking energy: -449.988
Base-Backbone interact. energy: 0.666
local terms energy: -560.439954
where:
bonds (distance) C4'-P energy: -106.161
bonds (distance) P-C4' energy: -113.207
flat angles C4'-P-C4' energy: -119.819
flat angles P-C4'-P energy: -88.386
tors. eta vs tors. theta energy: -132.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1387.933991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.933991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.933991 (E_RNA)
where:
Base-Base interactions energy: -864.275
where: short stacking energy: -371.588
Base-Backbone interact. energy: -3.665
local terms energy: -519.993925
where:
bonds (distance) C4'-P energy: -106.302
bonds (distance) P-C4' energy: -107.841
flat angles C4'-P-C4' energy: -121.423
flat angles P-C4'-P energy: -73.329
tors. eta vs tors. theta energy: -111.099
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: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1091.773979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.773979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.773979 (E_RNA)
where:
Base-Base interactions energy: -669.883
where: short stacking energy: -312.098
Base-Backbone interact. energy: 0.647
local terms energy: -422.538288
where:
bonds (distance) C4'-P energy: -93.844
bonds (distance) P-C4' energy: -108.823
flat angles C4'-P-C4' energy: -92.562
flat angles P-C4'-P energy: -61.712
tors. eta vs tors. theta energy: -65.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -970.551771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.551771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.551771 (E_RNA)
where:
Base-Base interactions energy: -548.402
where: short stacking energy: -277.422
Base-Backbone interact. energy: 0.202
local terms energy: -422.352517
where:
bonds (distance) C4'-P energy: -84.848
bonds (distance) P-C4' energy: -101.689
flat angles C4'-P-C4' energy: -110.640
flat angles P-C4'-P energy: -74.123
tors. eta vs tors. theta energy: -51.051
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: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -737.847289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.847289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.847289 (E_RNA)
where:
Base-Base interactions energy: -375.731
where: short stacking energy: -217.846
Base-Backbone interact. energy: 2.426
local terms energy: -364.542720
where:
bonds (distance) C4'-P energy: -105.957
bonds (distance) P-C4' energy: -89.279
flat angles C4'-P-C4' energy: -109.273
flat angles P-C4'-P energy: -51.258
tors. eta vs tors. theta energy: -8.777
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: 85
Temperature: 1.350000
Total energy: -481.247527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.247527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.247527 (E_RNA)
where:
Base-Base interactions energy: -160.313
where: short stacking energy: -126.254
Base-Backbone interact. energy: 0.071
local terms energy: -321.005355
where:
bonds (distance) C4'-P energy: -109.455
bonds (distance) P-C4' energy: -109.693
flat angles C4'-P-C4' energy: -72.980
flat angles P-C4'-P energy: -58.230
tors. eta vs tors. theta energy: 29.352
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: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2094.249146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.249146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.249146 (E_RNA)
where:
Base-Base interactions energy: -1411.360
where: short stacking energy: -619.890
Base-Backbone interact. energy: -3.952
local terms energy: -678.936838
where:
bonds (distance) C4'-P energy: -119.197
bonds (distance) P-C4' energy: -118.318
flat angles C4'-P-C4' energy: -151.617
flat angles P-C4'-P energy: -96.240
tors. eta vs tors. theta energy: -193.564
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: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2058.568695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.568695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.568695 (E_RNA)
where:
Base-Base interactions energy: -1434.968
where: short stacking energy: -566.545
Base-Backbone interact. energy: -3.813
local terms energy: -619.788303
where:
bonds (distance) C4'-P energy: -119.621
bonds (distance) P-C4' energy: -120.120
flat angles C4'-P-C4' energy: -121.994
flat angles P-C4'-P energy: -97.721
tors. eta vs tors. theta energy: -160.333
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: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1961.885103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.885103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.885103 (E_RNA)
where:
Base-Base interactions energy: -1362.352
where: short stacking energy: -572.053
Base-Backbone interact. energy: -0.729
local terms energy: -598.804164
where:
bonds (distance) C4'-P energy: -117.472
bonds (distance) P-C4' energy: -104.020
flat angles C4'-P-C4' energy: -122.815
flat angles P-C4'-P energy: -92.082
tors. eta vs tors. theta energy: -162.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1731.712311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.712311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.712311 (E_RNA)
where:
Base-Base interactions energy: -1160.326
where: short stacking energy: -480.568
Base-Backbone interact. energy: 0.412
local terms energy: -571.798433
where:
bonds (distance) C4'-P energy: -120.391
bonds (distance) P-C4' energy: -114.309
flat angles C4'-P-C4' energy: -127.285
flat angles P-C4'-P energy: -74.267
tors. eta vs tors. theta energy: -135.547
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: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1624.515340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.515340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.515340 (E_RNA)
where:
Base-Base interactions energy: -1076.529
where: short stacking energy: -453.955
Base-Backbone interact. energy: 2.917
local terms energy: -550.903567
where:
bonds (distance) C4'-P energy: -95.094
bonds (distance) P-C4' energy: -104.601
flat angles C4'-P-C4' energy: -135.528
flat angles P-C4'-P energy: -82.069
tors. eta vs tors. theta energy: -133.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1400.571895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.571895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.571895 (E_RNA)
where:
Base-Base interactions energy: -899.941
where: short stacking energy: -406.504
Base-Backbone interact. energy: -0.789
local terms energy: -499.841894
where:
bonds (distance) C4'-P energy: -112.807
bonds (distance) P-C4' energy: -103.334
flat angles C4'-P-C4' energy: -101.066
flat angles P-C4'-P energy: -66.161
tors. eta vs tors. theta energy: -116.475
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: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1081.986235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.986235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.986235 (E_RNA)
where:
Base-Base interactions energy: -634.480
where: short stacking energy: -310.294
Base-Backbone interact. energy: -2.610
local terms energy: -444.896358
where:
bonds (distance) C4'-P energy: -104.387
bonds (distance) P-C4' energy: -118.391
flat angles C4'-P-C4' energy: -101.502
flat angles P-C4'-P energy: -53.770
tors. eta vs tors. theta energy: -66.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -923.499945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.499945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.499945 (E_RNA)
where:
Base-Base interactions energy: -512.937
where: short stacking energy: -255.913
Base-Backbone interact. energy: -0.894
local terms energy: -409.668269
where:
bonds (distance) C4'-P energy: -97.875
bonds (distance) P-C4' energy: -127.380
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -55.363
tors. eta vs tors. theta energy: -33.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -744.666263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.666263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.666263 (E_RNA)
where:
Base-Base interactions energy: -349.407
where: short stacking energy: -188.733
Base-Backbone interact. energy: 1.473
local terms energy: -396.732816
where:
bonds (distance) C4'-P energy: -113.549
bonds (distance) P-C4' energy: -118.360
flat angles C4'-P-C4' energy: -103.724
flat angles P-C4'-P energy: -60.512
tors. eta vs tors. theta energy: -0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -462.411316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.411316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.411316 (E_RNA)
where:
Base-Base interactions energy: -120.331
where: short stacking energy: -102.734
Base-Backbone interact. energy: 3.283
local terms energy: -345.362680
where:
bonds (distance) C4'-P energy: -108.260
bonds (distance) P-C4' energy: -108.916
flat angles C4'-P-C4' energy: -89.864
flat angles P-C4'-P energy: -59.477
tors. eta vs tors. theta energy: 21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2097.966291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.966291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.966291 (E_RNA)
where:
Base-Base interactions energy: -1416.223
where: short stacking energy: -603.627
Base-Backbone interact. energy: -3.891
local terms energy: -677.852696
where:
bonds (distance) C4'-P energy: -121.857
bonds (distance) P-C4' energy: -118.413
flat angles C4'-P-C4' energy: -151.613
flat angles P-C4'-P energy: -93.204
tors. eta vs tors. theta energy: -192.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2039.824941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.824941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.824941 (E_RNA)
where:
Base-Base interactions energy: -1432.699
where: short stacking energy: -556.624
Base-Backbone interact. energy: -2.694
local terms energy: -604.432136
where:
bonds (distance) C4'-P energy: -111.870
bonds (distance) P-C4' energy: -117.020
flat angles C4'-P-C4' energy: -129.359
flat angles P-C4'-P energy: -81.240
tors. eta vs tors. theta energy: -164.944
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: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1966.699761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.699761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.699761 (E_RNA)
where:
Base-Base interactions energy: -1366.299
where: short stacking energy: -539.466
Base-Backbone interact. energy: 6.522
local terms energy: -606.923176
where:
bonds (distance) C4'-P energy: -111.476
bonds (distance) P-C4' energy: -127.819
flat angles C4'-P-C4' energy: -129.961
flat angles P-C4'-P energy: -77.289
tors. eta vs tors. theta energy: -160.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1727.550687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.550687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.550687 (E_RNA)
where:
Base-Base interactions energy: -1165.257
where: short stacking energy: -469.651
Base-Backbone interact. energy: -5.972
local terms energy: -556.321402
where:
bonds (distance) C4'-P energy: -93.938
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -129.896
flat angles P-C4'-P energy: -74.199
tors. eta vs tors. theta energy: -139.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1610.837651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.837651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.837651 (E_RNA)
where:
Base-Base interactions energy: -1073.702
where: short stacking energy: -440.261
Base-Backbone interact. energy: -4.886
local terms energy: -532.249807
where:
bonds (distance) C4'-P energy: -98.838
bonds (distance) P-C4' energy: -110.909
flat angles C4'-P-C4' energy: -121.164
flat angles P-C4'-P energy: -80.295
tors. eta vs tors. theta energy: -121.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1356.568026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.568026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.568026 (E_RNA)
where:
Base-Base interactions energy: -861.203
where: short stacking energy: -360.139
Base-Backbone interact. energy: 3.364
local terms energy: -498.728459
where:
bonds (distance) C4'-P energy: -101.496
bonds (distance) P-C4' energy: -107.176
flat angles C4'-P-C4' energy: -121.650
flat angles P-C4'-P energy: -70.441
tors. eta vs tors. theta energy: -97.965
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: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1139.396962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.396962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.396962 (E_RNA)
where:
Base-Base interactions energy: -680.294
where: short stacking energy: -316.796
Base-Backbone interact. energy: -1.221
local terms energy: -457.882271
where:
bonds (distance) C4'-P energy: -96.799
bonds (distance) P-C4' energy: -104.260
flat angles C4'-P-C4' energy: -115.570
flat angles P-C4'-P energy: -80.854
tors. eta vs tors. theta energy: -60.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -947.399061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.399061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.399061 (E_RNA)
where:
Base-Base interactions energy: -520.312
where: short stacking energy: -264.610
Base-Backbone interact. energy: -1.043
local terms energy: -426.043604
where:
bonds (distance) C4'-P energy: -120.206
bonds (distance) P-C4' energy: -104.274
flat angles C4'-P-C4' energy: -86.988
flat angles P-C4'-P energy: -64.510
tors. eta vs tors. theta energy: -50.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -754.412674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.412674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.412674 (E_RNA)
where:
Base-Base interactions energy: -363.311
where: short stacking energy: -207.458
Base-Backbone interact. energy: -0.975
local terms energy: -390.127105
where:
bonds (distance) C4'-P energy: -100.617
bonds (distance) P-C4' energy: -104.599
flat angles C4'-P-C4' energy: -93.266
flat angles P-C4'-P energy: -69.320
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -442.952720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.952720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.952720 (E_RNA)
where:
Base-Base interactions energy: -130.326
where: short stacking energy: -94.998
Base-Backbone interact. energy: 5.607
local terms energy: -318.233840
where:
bonds (distance) C4'-P energy: -111.954
bonds (distance) P-C4' energy: -112.823
flat angles C4'-P-C4' energy: -83.003
flat angles P-C4'-P energy: -50.051
tors. eta vs tors. theta energy: 39.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2093.027764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.027764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.027764 (E_RNA)
where:
Base-Base interactions energy: -1406.086
where: short stacking energy: -613.333
Base-Backbone interact. energy: 0.661
local terms energy: -687.602768
where:
bonds (distance) C4'-P energy: -130.617
bonds (distance) P-C4' energy: -119.170
flat angles C4'-P-C4' energy: -150.012
flat angles P-C4'-P energy: -103.324
tors. eta vs tors. theta energy: -184.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2082.754735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.754735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.754735 (E_RNA)
where:
Base-Base interactions energy: -1448.435
where: short stacking energy: -565.082
Base-Backbone interact. energy: -1.806
local terms energy: -632.514175
where:
bonds (distance) C4'-P energy: -120.503
bonds (distance) P-C4' energy: -129.989
flat angles C4'-P-C4' energy: -135.131
flat angles P-C4'-P energy: -91.007
tors. eta vs tors. theta energy: -155.884
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: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1956.535959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.535959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.535959 (E_RNA)
where:
Base-Base interactions energy: -1327.174
where: short stacking energy: -545.692
Base-Backbone interact. energy: -3.510
local terms energy: -625.852765
where:
bonds (distance) C4'-P energy: -125.785
bonds (distance) P-C4' energy: -129.368
flat angles C4'-P-C4' energy: -135.379
flat angles P-C4'-P energy: -79.839
tors. eta vs tors. theta energy: -155.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1664.692648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.692648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.692648 (E_RNA)
where:
Base-Base interactions energy: -1089.456
where: short stacking energy: -457.340
Base-Backbone interact. energy: 3.456
local terms energy: -578.692729
where:
bonds (distance) C4'-P energy: -121.442
bonds (distance) P-C4' energy: -120.028
flat angles C4'-P-C4' energy: -120.078
flat angles P-C4'-P energy: -85.078
tors. eta vs tors. theta energy: -132.067
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: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1597.230257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.230257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.230257 (E_RNA)
where:
Base-Base interactions energy: -1073.308
where: short stacking energy: -461.769
Base-Backbone interact. energy: -0.816
local terms energy: -523.106673
where:
bonds (distance) C4'-P energy: -86.669
bonds (distance) P-C4' energy: -101.720
flat angles C4'-P-C4' energy: -119.836
flat angles P-C4'-P energy: -71.116
tors. eta vs tors. theta energy: -143.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1324.226344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.226344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.226344 (E_RNA)
where:
Base-Base interactions energy: -820.238
where: short stacking energy: -373.052
Base-Backbone interact. energy: -2.476
local terms energy: -501.512253
where:
bonds (distance) C4'-P energy: -100.049
bonds (distance) P-C4' energy: -107.524
flat angles C4'-P-C4' energy: -109.086
flat angles P-C4'-P energy: -89.458
tors. eta vs tors. theta energy: -95.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1173.768431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.768431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.768431 (E_RNA)
where:
Base-Base interactions energy: -678.415
where: short stacking energy: -306.875
Base-Backbone interact. energy: -1.412
local terms energy: -493.941865
where:
bonds (distance) C4'-P energy: -127.413
bonds (distance) P-C4' energy: -100.597
flat angles C4'-P-C4' energy: -116.928
flat angles P-C4'-P energy: -80.677
tors. eta vs tors. theta energy: -68.327
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: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -954.455113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.455113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.455113 (E_RNA)
where:
Base-Base interactions energy: -552.553
where: short stacking energy: -271.560
Base-Backbone interact. energy: -2.599
local terms energy: -399.303303
where:
bonds (distance) C4'-P energy: -91.215
bonds (distance) P-C4' energy: -102.426
flat angles C4'-P-C4' energy: -101.278
flat angles P-C4'-P energy: -67.898
tors. eta vs tors. theta energy: -36.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -744.135740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.135740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.135740 (E_RNA)
where:
Base-Base interactions energy: -358.513
where: short stacking energy: -187.480
Base-Backbone interact. energy: 2.677
local terms energy: -388.299549
where:
bonds (distance) C4'-P energy: -91.284
bonds (distance) P-C4' energy: -119.597
flat angles C4'-P-C4' energy: -97.784
flat angles P-C4'-P energy: -54.183
tors. eta vs tors. theta energy: -25.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -461.273765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.273765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.273765 (E_RNA)
where:
Base-Base interactions energy: -159.913
where: short stacking energy: -126.681
Base-Backbone interact. energy: -2.799
local terms energy: -298.561531
where:
bonds (distance) C4'-P energy: -81.178
bonds (distance) P-C4' energy: -108.401
flat angles C4'-P-C4' energy: -89.389
flat angles P-C4'-P energy: -30.830
tors. eta vs tors. theta energy: 11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2095.017617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.017617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.017617 (E_RNA)
where:
Base-Base interactions energy: -1432.381
where: short stacking energy: -599.034
Base-Backbone interact. energy: -4.149
local terms energy: -658.487799
where:
bonds (distance) C4'-P energy: -123.408
bonds (distance) P-C4' energy: -113.640
flat angles C4'-P-C4' energy: -138.636
flat angles P-C4'-P energy: -97.091
tors. eta vs tors. theta energy: -185.713
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: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2067.455579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.455579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.455579 (E_RNA)
where:
Base-Base interactions energy: -1431.725
where: short stacking energy: -588.793
Base-Backbone interact. energy: -4.948
local terms energy: -630.782635
where:
bonds (distance) C4'-P energy: -123.361
bonds (distance) P-C4' energy: -111.317
flat angles C4'-P-C4' energy: -132.574
flat angles P-C4'-P energy: -104.915
tors. eta vs tors. theta energy: -158.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1946.705237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.705237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.705237 (E_RNA)
where:
Base-Base interactions energy: -1320.044
where: short stacking energy: -547.933
Base-Backbone interact. energy: -0.215
local terms energy: -626.446614
where:
bonds (distance) C4'-P energy: -117.299
bonds (distance) P-C4' energy: -136.035
flat angles C4'-P-C4' energy: -121.719
flat angles P-C4'-P energy: -83.583
tors. eta vs tors. theta energy: -167.811
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: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1729.658979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.658979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.658979 (E_RNA)
where:
Base-Base interactions energy: -1138.348
where: short stacking energy: -493.467
Base-Backbone interact. energy: -0.811
local terms energy: -590.500721
where:
bonds (distance) C4'-P energy: -120.159
bonds (distance) P-C4' energy: -106.198
flat angles C4'-P-C4' energy: -135.540
flat angles P-C4'-P energy: -94.382
tors. eta vs tors. theta energy: -134.222
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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1560.833516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.833516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.833516 (E_RNA)
where:
Base-Base interactions energy: -1042.058
where: short stacking energy: -439.789
Base-Backbone interact. energy: 2.083
local terms energy: -520.859088
where:
bonds (distance) C4'-P energy: -85.110
bonds (distance) P-C4' energy: -99.331
flat angles C4'-P-C4' energy: -135.430
flat angles P-C4'-P energy: -75.445
tors. eta vs tors. theta energy: -125.543
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: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1355.950229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.950229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.950229 (E_RNA)
where:
Base-Base interactions energy: -876.397
where: short stacking energy: -378.129
Base-Backbone interact. energy: -2.259
local terms energy: -477.294459
where:
bonds (distance) C4'-P energy: -94.770
bonds (distance) P-C4' energy: -114.785
flat angles C4'-P-C4' energy: -106.688
flat angles P-C4'-P energy: -73.719
tors. eta vs tors. theta energy: -87.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1172.913432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.913432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.913432 (E_RNA)
where:
Base-Base interactions energy: -698.874
where: short stacking energy: -329.501
Base-Backbone interact. energy: -2.588
local terms energy: -471.450901
where:
bonds (distance) C4'-P energy: -99.689
bonds (distance) P-C4' energy: -117.588
flat angles C4'-P-C4' energy: -108.243
flat angles P-C4'-P energy: -68.527
tors. eta vs tors. theta energy: -77.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -944.599741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.599741 (E_RNA)
where:
Base-Base interactions energy: -515.572
where: short stacking energy: -263.532
Base-Backbone interact. energy: -0.281
local terms energy: -428.746771
where:
bonds (distance) C4'-P energy: -100.217
bonds (distance) P-C4' energy: -115.038
flat angles C4'-P-C4' energy: -102.778
flat angles P-C4'-P energy: -66.336
tors. eta vs tors. theta energy: -44.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -767.473960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.473960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.473960 (E_RNA)
where:
Base-Base interactions energy: -407.019
where: short stacking energy: -224.942
Base-Backbone interact. energy: 1.788
local terms energy: -362.242429
where:
bonds (distance) C4'-P energy: -88.645
bonds (distance) P-C4' energy: -105.880
flat angles C4'-P-C4' energy: -89.252
flat angles P-C4'-P energy: -56.590
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -454.410588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.410588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.410588 (E_RNA)
where:
Base-Base interactions energy: -162.849
where: short stacking energy: -143.447
Base-Backbone interact. energy: -2.050
local terms energy: -289.512100
where:
bonds (distance) C4'-P energy: -108.373
bonds (distance) P-C4' energy: -95.198
flat angles C4'-P-C4' energy: -73.290
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: 24.066
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2056.985225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.985225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.985225 (E_RNA)
where:
Base-Base interactions energy: -1381.905
where: short stacking energy: -582.220
Base-Backbone interact. energy: -4.672
local terms energy: -670.408425
where:
bonds (distance) C4'-P energy: -136.797
bonds (distance) P-C4' energy: -130.851
flat angles C4'-P-C4' energy: -139.526
flat angles P-C4'-P energy: -91.440
tors. eta vs tors. theta energy: -171.794
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2072.672171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.672171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.672171 (E_RNA)
where:
Base-Base interactions energy: -1423.603
where: short stacking energy: -572.023
Base-Backbone interact. energy: 0.079
local terms energy: -649.147892
where:
bonds (distance) C4'-P energy: -122.918
bonds (distance) P-C4' energy: -119.441
flat angles C4'-P-C4' energy: -132.625
flat angles P-C4'-P energy: -102.240
tors. eta vs tors. theta energy: -171.923
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: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1933.652430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.652430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.652430 (E_RNA)
where:
Base-Base interactions energy: -1323.364
where: short stacking energy: -528.990
Base-Backbone interact. energy: -1.440
local terms energy: -608.847872
where:
bonds (distance) C4'-P energy: -118.620
bonds (distance) P-C4' energy: -121.158
flat angles C4'-P-C4' energy: -126.093
flat angles P-C4'-P energy: -83.045
tors. eta vs tors. theta energy: -159.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1769.744226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.744226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.744226 (E_RNA)
where:
Base-Base interactions energy: -1166.509
where: short stacking energy: -517.564
Base-Backbone interact. energy: -0.240
local terms energy: -602.994771
where:
bonds (distance) C4'-P energy: -110.748
bonds (distance) P-C4' energy: -117.139
flat angles C4'-P-C4' energy: -131.616
flat angles P-C4'-P energy: -88.912
tors. eta vs tors. theta energy: -154.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1620.663409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.663409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.663409 (E_RNA)
where:
Base-Base interactions energy: -1066.056
where: short stacking energy: -474.081
Base-Backbone interact. energy: 3.015
local terms energy: -557.622440
where:
bonds (distance) C4'-P energy: -109.936
bonds (distance) P-C4' energy: -111.096
flat angles C4'-P-C4' energy: -124.494
flat angles P-C4'-P energy: -67.394
tors. eta vs tors. theta energy: -144.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1397.343347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.343347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.343347 (E_RNA)
where:
Base-Base interactions energy: -880.203
where: short stacking energy: -404.617
Base-Backbone interact. energy: -1.220
local terms energy: -515.919737
where:
bonds (distance) C4'-P energy: -114.730
bonds (distance) P-C4' energy: -93.458
flat angles C4'-P-C4' energy: -124.704
flat angles P-C4'-P energy: -62.432
tors. eta vs tors. theta energy: -120.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1019.060598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.060598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.060598 (E_RNA)
where:
Base-Base interactions energy: -574.672
where: short stacking energy: -282.996
Base-Backbone interact. energy: -1.587
local terms energy: -442.802236
where:
bonds (distance) C4'-P energy: -106.223
bonds (distance) P-C4' energy: -108.277
flat angles C4'-P-C4' energy: -115.190
flat angles P-C4'-P energy: -59.273
tors. eta vs tors. theta energy: -53.839
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1050.292014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.292014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.292014 (E_RNA)
where:
Base-Base interactions energy: -621.253
where: short stacking energy: -293.297
Base-Backbone interact. energy: 0.934
local terms energy: -429.973699
where:
bonds (distance) C4'-P energy: -92.726
bonds (distance) P-C4' energy: -101.907
flat angles C4'-P-C4' energy: -124.873
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -59.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -751.515632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.515632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.515632 (E_RNA)
where:
Base-Base interactions energy: -388.679
where: short stacking energy: -233.703
Base-Backbone interact. energy: 1.443
local terms energy: -364.280222
where:
bonds (distance) C4'-P energy: -100.980
bonds (distance) P-C4' energy: -99.568
flat angles C4'-P-C4' energy: -100.503
flat angles P-C4'-P energy: -47.153
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -435.721562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.721562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.721562 (E_RNA)
where:
Base-Base interactions energy: -146.625
where: short stacking energy: -135.283
Base-Backbone interact. energy: 4.005
local terms energy: -293.101468
where:
bonds (distance) C4'-P energy: -94.950
bonds (distance) P-C4' energy: -95.835
flat angles C4'-P-C4' energy: -79.383
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: 18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2068.191713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.191713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.191713 (E_RNA)
where:
Base-Base interactions energy: -1409.100
where: short stacking energy: -599.117
Base-Backbone interact. energy: -2.773
local terms energy: -656.318234
where:
bonds (distance) C4'-P energy: -128.695
bonds (distance) P-C4' energy: -122.134
flat angles C4'-P-C4' energy: -138.231
flat angles P-C4'-P energy: -95.313
tors. eta vs tors. theta energy: -171.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2046.285928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.285928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.285928 (E_RNA)
where:
Base-Base interactions energy: -1405.184
where: short stacking energy: -578.946
Base-Backbone interact. energy: 1.603
local terms energy: -642.705747
where:
bonds (distance) C4'-P energy: -122.936
bonds (distance) P-C4' energy: -125.761
flat angles C4'-P-C4' energy: -136.193
flat angles P-C4'-P energy: -82.714
tors. eta vs tors. theta energy: -175.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1962.319226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.319226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.319226 (E_RNA)
where:
Base-Base interactions energy: -1349.787
where: short stacking energy: -577.100
Base-Backbone interact. energy: -0.941
local terms energy: -611.590525
where:
bonds (distance) C4'-P energy: -120.766
bonds (distance) P-C4' energy: -101.716
flat angles C4'-P-C4' energy: -133.108
flat angles P-C4'-P energy: -77.798
tors. eta vs tors. theta energy: -178.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1849.963812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.963812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.963812 (E_RNA)
where:
Base-Base interactions energy: -1244.734
where: short stacking energy: -511.977
Base-Backbone interact. energy: 1.539
local terms energy: -606.767832
where:
bonds (distance) C4'-P energy: -112.853
bonds (distance) P-C4' energy: -115.757
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -90.654
tors. eta vs tors. theta energy: -158.448
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: 91
Temperature: 1.100000
Total energy: -1615.412747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.412747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.412747 (E_RNA)
where:
Base-Base interactions energy: -1020.105
where: short stacking energy: -454.181
Base-Backbone interact. energy: -2.689
local terms energy: -592.619348
where:
bonds (distance) C4'-P energy: -109.547
bonds (distance) P-C4' energy: -114.797
flat angles C4'-P-C4' energy: -137.992
flat angles P-C4'-P energy: -80.836
tors. eta vs tors. theta energy: -149.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1397.774680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.774680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.774680 (E_RNA)
where:
Base-Base interactions energy: -880.606
where: short stacking energy: -392.885
Base-Backbone interact. energy: -3.322
local terms energy: -513.846259
where:
bonds (distance) C4'-P energy: -121.377
bonds (distance) P-C4' energy: -84.232
flat angles C4'-P-C4' energy: -112.267
flat angles P-C4'-P energy: -81.024
tors. eta vs tors. theta energy: -114.947
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: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1098.100593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.100593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.100593 (E_RNA)
where:
Base-Base interactions energy: -637.435
where: short stacking energy: -321.747
Base-Backbone interact. energy: 0.205
local terms energy: -460.870601
where:
bonds (distance) C4'-P energy: -108.517
bonds (distance) P-C4' energy: -108.856
flat angles C4'-P-C4' energy: -115.737
flat angles P-C4'-P energy: -60.667
tors. eta vs tors. theta energy: -67.094
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: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1059.381292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.381292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.381292 (E_RNA)
where:
Base-Base interactions energy: -594.479
where: short stacking energy: -292.983
Base-Backbone interact. energy: 1.781
local terms energy: -466.683154
where:
bonds (distance) C4'-P energy: -102.741
bonds (distance) P-C4' energy: -116.960
flat angles C4'-P-C4' energy: -107.391
flat angles P-C4'-P energy: -73.388
tors. eta vs tors. theta energy: -66.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -756.407933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.407933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.407933 (E_RNA)
where:
Base-Base interactions energy: -395.083
where: short stacking energy: -198.637
Base-Backbone interact. energy: 1.611
local terms energy: -362.936564
where:
bonds (distance) C4'-P energy: -96.676
bonds (distance) P-C4' energy: -115.137
flat angles C4'-P-C4' energy: -76.516
flat angles P-C4'-P energy: -53.257
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -444.611239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.611239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.611239 (E_RNA)
where:
Base-Base interactions energy: -127.723
where: short stacking energy: -117.517
Base-Backbone interact. energy: -1.720
local terms energy: -315.168060
where:
bonds (distance) C4'-P energy: -98.226
bonds (distance) P-C4' energy: -112.590
flat angles C4'-P-C4' energy: -82.412
flat angles P-C4'-P energy: -42.080
tors. eta vs tors. theta energy: 20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2131.581610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.581610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.581610 (E_RNA)
where:
Base-Base interactions energy: -1477.963
where: short stacking energy: -586.983
Base-Backbone interact. energy: -2.448
local terms energy: -651.170220
where:
bonds (distance) C4'-P energy: -129.963
bonds (distance) P-C4' energy: -133.507
flat angles C4'-P-C4' energy: -128.052
flat angles P-C4'-P energy: -95.145
tors. eta vs tors. theta energy: -164.503
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: 92
Temperature: 0.950000
Total energy: -2023.402225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.402225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.402225 (E_RNA)
where:
Base-Base interactions energy: -1379.891
where: short stacking energy: -596.167
Base-Backbone interact. energy: 1.536
local terms energy: -645.047346
where:
bonds (distance) C4'-P energy: -122.397
bonds (distance) P-C4' energy: -111.224
flat angles C4'-P-C4' energy: -143.238
flat angles P-C4'-P energy: -85.193
tors. eta vs tors. theta energy: -182.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1954.301961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.301961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.301961 (E_RNA)
where:
Base-Base interactions energy: -1358.986
where: short stacking energy: -545.071
Base-Backbone interact. energy: -2.529
local terms energy: -592.786819
where:
bonds (distance) C4'-P energy: -111.940
bonds (distance) P-C4' energy: -98.851
flat angles C4'-P-C4' energy: -128.981
flat angles P-C4'-P energy: -89.888
tors. eta vs tors. theta energy: -163.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1763.621108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.621108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.621108 (E_RNA)
where:
Base-Base interactions energy: -1158.990
where: short stacking energy: -516.173
Base-Backbone interact. energy: -3.340
local terms energy: -601.291298
where:
bonds (distance) C4'-P energy: -110.258
bonds (distance) P-C4' energy: -112.103
flat angles C4'-P-C4' energy: -131.860
flat angles P-C4'-P energy: -90.840
tors. eta vs tors. theta energy: -156.230
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1635.938935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.938935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.938935 (E_RNA)
where:
Base-Base interactions energy: -1090.826
where: short stacking energy: -443.416
Base-Backbone interact. energy: -2.698
local terms energy: -542.415281
where:
bonds (distance) C4'-P energy: -116.460
bonds (distance) P-C4' energy: -102.199
flat angles C4'-P-C4' energy: -119.984
flat angles P-C4'-P energy: -72.124
tors. eta vs tors. theta energy: -131.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1405.324410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.324410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.324410 (E_RNA)
where:
Base-Base interactions energy: -896.194
where: short stacking energy: -416.955
Base-Backbone interact. energy: 0.116
local terms energy: -509.245763
where:
bonds (distance) C4'-P energy: -115.147
bonds (distance) P-C4' energy: -112.939
flat angles C4'-P-C4' energy: -116.740
flat angles P-C4'-P energy: -66.186
tors. eta vs tors. theta energy: -98.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1078.413042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.413042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.413042 (E_RNA)
where:
Base-Base interactions energy: -629.595
where: short stacking energy: -323.520
Base-Backbone interact. energy: -2.204
local terms energy: -446.614193
where:
bonds (distance) C4'-P energy: -106.112
bonds (distance) P-C4' energy: -111.060
flat angles C4'-P-C4' energy: -114.500
flat angles P-C4'-P energy: -51.041
tors. eta vs tors. theta energy: -63.901
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: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1108.908986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.908986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.908986 (E_RNA)
where:
Base-Base interactions energy: -661.377
where: short stacking energy: -295.334
Base-Backbone interact. energy: 0.493
local terms energy: -448.025689
where:
bonds (distance) C4'-P energy: -98.755
bonds (distance) P-C4' energy: -104.535
flat angles C4'-P-C4' energy: -104.687
flat angles P-C4'-P energy: -82.169
tors. eta vs tors. theta energy: -57.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -775.580623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.580623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.580623 (E_RNA)
where:
Base-Base interactions energy: -400.100
where: short stacking energy: -223.875
Base-Backbone interact. energy: 1.799
local terms energy: -377.279039
where:
bonds (distance) C4'-P energy: -86.970
bonds (distance) P-C4' energy: -120.310
flat angles C4'-P-C4' energy: -76.362
flat angles P-C4'-P energy: -67.773
tors. eta vs tors. theta energy: -25.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -451.446414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.446414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.446414 (E_RNA)
where:
Base-Base interactions energy: -137.464
where: short stacking energy: -121.007
Base-Backbone interact. energy: -0.197
local terms energy: -313.785203
where:
bonds (distance) C4'-P energy: -96.958
bonds (distance) P-C4' energy: -115.044
flat angles C4'-P-C4' energy: -77.204
flat angles P-C4'-P energy: -59.956
tors. eta vs tors. theta energy: 35.376
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: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2111.543805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.543805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.543805 (E_RNA)
where:
Base-Base interactions energy: -1464.471
where: short stacking energy: -578.551
Base-Backbone interact. energy: -2.621
local terms energy: -644.451884
where:
bonds (distance) C4'-P energy: -135.291
bonds (distance) P-C4' energy: -115.610
flat angles C4'-P-C4' energy: -136.043
flat angles P-C4'-P energy: -86.963
tors. eta vs tors. theta energy: -170.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2035.726310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.726310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.726310 (E_RNA)
where:
Base-Base interactions energy: -1366.138
where: short stacking energy: -591.207
Base-Backbone interact. energy: 1.758
local terms energy: -671.346525
where:
bonds (distance) C4'-P energy: -117.343
bonds (distance) P-C4' energy: -132.243
flat angles C4'-P-C4' energy: -141.680
flat angles P-C4'-P energy: -101.983
tors. eta vs tors. theta energy: -178.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1959.927854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.927854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.927854 (E_RNA)
where:
Base-Base interactions energy: -1349.900
where: short stacking energy: -548.216
Base-Backbone interact. energy: -5.885
local terms energy: -604.142535
where:
bonds (distance) C4'-P energy: -127.087
bonds (distance) P-C4' energy: -117.870
flat angles C4'-P-C4' energy: -123.036
flat angles P-C4'-P energy: -75.382
tors. eta vs tors. theta energy: -160.768
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: 93
Temperature: 1.050000
Total energy: -1756.368487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.368487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.368487 (E_RNA)
where:
Base-Base interactions energy: -1173.110
where: short stacking energy: -492.789
Base-Backbone interact. energy: -2.109
local terms energy: -581.150405
where:
bonds (distance) C4'-P energy: -113.766
bonds (distance) P-C4' energy: -115.140
flat angles C4'-P-C4' energy: -127.741
flat angles P-C4'-P energy: -79.312
tors. eta vs tors. theta energy: -145.190
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: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1545.137268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.137268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.137268 (E_RNA)
where:
Base-Base interactions energy: -1015.835
where: short stacking energy: -425.864
Base-Backbone interact. energy: 3.603
local terms energy: -532.905522
where:
bonds (distance) C4'-P energy: -98.540
bonds (distance) P-C4' energy: -95.990
flat angles C4'-P-C4' energy: -129.362
flat angles P-C4'-P energy: -79.129
tors. eta vs tors. theta energy: -129.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1362.632474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.632474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.632474 (E_RNA)
where:
Base-Base interactions energy: -836.787
where: short stacking energy: -372.243
Base-Backbone interact. energy: -3.978
local terms energy: -521.868245
where:
bonds (distance) C4'-P energy: -116.761
bonds (distance) P-C4' energy: -115.412
flat angles C4'-P-C4' energy: -120.665
flat angles P-C4'-P energy: -73.217
tors. eta vs tors. theta energy: -95.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1114.752549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.752549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.752549 (E_RNA)
where:
Base-Base interactions energy: -644.751
where: short stacking energy: -327.990
Base-Backbone interact. energy: -3.074
local terms energy: -466.927270
where:
bonds (distance) C4'-P energy: -107.723
bonds (distance) P-C4' energy: -116.921
flat angles C4'-P-C4' energy: -110.903
flat angles P-C4'-P energy: -55.632
tors. eta vs tors. theta energy: -75.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1051.385775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.385775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.385775 (E_RNA)
where:
Base-Base interactions energy: -603.964
where: short stacking energy: -284.588
Base-Backbone interact. energy: 0.491
local terms energy: -447.911814
where:
bonds (distance) C4'-P energy: -90.587
bonds (distance) P-C4' energy: -101.559
flat angles C4'-P-C4' energy: -122.784
flat angles P-C4'-P energy: -72.330
tors. eta vs tors. theta energy: -60.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -726.144477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.144477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.144477 (E_RNA)
where:
Base-Base interactions energy: -354.091
where: short stacking energy: -195.410
Base-Backbone interact. energy: -0.113
local terms energy: -371.940173
where:
bonds (distance) C4'-P energy: -90.417
bonds (distance) P-C4' energy: -114.615
flat angles C4'-P-C4' energy: -95.786
flat angles P-C4'-P energy: -60.364
tors. eta vs tors. theta energy: -10.757
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: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -463.789956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.789956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.789956 (E_RNA)
where:
Base-Base interactions energy: -134.234
where: short stacking energy: -112.433
Base-Backbone interact. energy: 0.111
local terms energy: -329.667064
where:
bonds (distance) C4'-P energy: -93.631
bonds (distance) P-C4' energy: -108.252
flat angles C4'-P-C4' energy: -85.875
flat angles P-C4'-P energy: -73.092
tors. eta vs tors. theta energy: 31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2109.974505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.974505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.974505 (E_RNA)
where:
Base-Base interactions energy: -1428.330
where: short stacking energy: -600.876
Base-Backbone interact. energy: -3.331
local terms energy: -678.313445
where:
bonds (distance) C4'-P energy: -122.511
bonds (distance) P-C4' energy: -131.557
flat angles C4'-P-C4' energy: -142.716
flat angles P-C4'-P energy: -108.477
tors. eta vs tors. theta energy: -173.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2029.324429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.324429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.324429 (E_RNA)
where:
Base-Base interactions energy: -1367.151
where: short stacking energy: -602.106
Base-Backbone interact. energy: -6.048
local terms energy: -656.125261
where:
bonds (distance) C4'-P energy: -114.183
bonds (distance) P-C4' energy: -119.403
flat angles C4'-P-C4' energy: -141.075
flat angles P-C4'-P energy: -93.223
tors. eta vs tors. theta energy: -188.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1957.571650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.571650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.571650 (E_RNA)
where:
Base-Base interactions energy: -1335.906
where: short stacking energy: -554.548
Base-Backbone interact. energy: -0.799
local terms energy: -620.866141
where:
bonds (distance) C4'-P energy: -113.691
bonds (distance) P-C4' energy: -121.785
flat angles C4'-P-C4' energy: -134.799
flat angles P-C4'-P energy: -80.592
tors. eta vs tors. theta energy: -169.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1803.229410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.229410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.229410 (E_RNA)
where:
Base-Base interactions energy: -1218.377
where: short stacking energy: -523.403
Base-Backbone interact. energy: -1.166
local terms energy: -583.685743
where:
bonds (distance) C4'-P energy: -117.691
bonds (distance) P-C4' energy: -111.702
flat angles C4'-P-C4' energy: -129.447
flat angles P-C4'-P energy: -78.924
tors. eta vs tors. theta energy: -145.921
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: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1605.509972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.509972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.509972 (E_RNA)
where:
Base-Base interactions energy: -1046.909
where: short stacking energy: -450.071
Base-Backbone interact. energy: -1.937
local terms energy: -556.663993
where:
bonds (distance) C4'-P energy: -110.347
bonds (distance) P-C4' energy: -107.260
flat angles C4'-P-C4' energy: -114.293
flat angles P-C4'-P energy: -80.917
tors. eta vs tors. theta energy: -143.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1319.735735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.735735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.735735 (E_RNA)
where:
Base-Base interactions energy: -829.793
where: short stacking energy: -377.625
Base-Backbone interact. energy: 4.322
local terms energy: -494.264956
where:
bonds (distance) C4'-P energy: -105.341
bonds (distance) P-C4' energy: -103.222
flat angles C4'-P-C4' energy: -114.994
flat angles P-C4'-P energy: -86.341
tors. eta vs tors. theta energy: -84.368
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: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1115.031416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.031416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.031416 (E_RNA)
where:
Base-Base interactions energy: -643.220
where: short stacking energy: -300.894
Base-Backbone interact. energy: 0.668
local terms energy: -472.478734
where:
bonds (distance) C4'-P energy: -111.092
bonds (distance) P-C4' energy: -120.426
flat angles C4'-P-C4' energy: -104.818
flat angles P-C4'-P energy: -73.923
tors. eta vs tors. theta energy: -62.219
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: 94
Temperature: 1.250000
Total energy: -1072.625000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.625000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.625000 (E_RNA)
where:
Base-Base interactions energy: -650.338
where: short stacking energy: -293.490
Base-Backbone interact. energy: 7.918
local terms energy: -430.204989
where:
bonds (distance) C4'-P energy: -106.613
bonds (distance) P-C4' energy: -106.189
flat angles C4'-P-C4' energy: -111.862
flat angles P-C4'-P energy: -55.501
tors. eta vs tors. theta energy: -50.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -758.320827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.320827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.320827 (E_RNA)
where:
Base-Base interactions energy: -355.546
where: short stacking energy: -192.545
Base-Backbone interact. energy: -0.435
local terms energy: -402.340419
where:
bonds (distance) C4'-P energy: -116.587
bonds (distance) P-C4' energy: -108.945
flat angles C4'-P-C4' energy: -101.498
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -469.253578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.253578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.253578 (E_RNA)
where:
Base-Base interactions energy: -144.934
where: short stacking energy: -132.373
Base-Backbone interact. energy: -2.519
local terms energy: -321.800907
where:
bonds (distance) C4'-P energy: -87.356
bonds (distance) P-C4' energy: -100.413
flat angles C4'-P-C4' energy: -87.731
flat angles P-C4'-P energy: -70.325
tors. eta vs tors. theta energy: 24.024
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: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2112.573658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.573658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.573658 (E_RNA)
where:
Base-Base interactions energy: -1456.141
where: short stacking energy: -581.296
Base-Backbone interact. energy: -0.368
local terms energy: -656.064718
where:
bonds (distance) C4'-P energy: -125.206
bonds (distance) P-C4' energy: -131.686
flat angles C4'-P-C4' energy: -134.888
flat angles P-C4'-P energy: -89.866
tors. eta vs tors. theta energy: -174.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2023.587599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.587599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.587599 (E_RNA)
where:
Base-Base interactions energy: -1355.589
where: short stacking energy: -591.397
Base-Backbone interact. energy: -3.364
local terms energy: -664.635081
where:
bonds (distance) C4'-P energy: -134.616
bonds (distance) P-C4' energy: -120.188
flat angles C4'-P-C4' energy: -128.561
flat angles P-C4'-P energy: -100.679
tors. eta vs tors. theta energy: -180.590
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: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1983.145306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.145306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.145306 (E_RNA)
where:
Base-Base interactions energy: -1385.523
where: short stacking energy: -552.257
Base-Backbone interact. energy: 1.256
local terms energy: -598.878081
where:
bonds (distance) C4'-P energy: -113.280
bonds (distance) P-C4' energy: -112.825
flat angles C4'-P-C4' energy: -131.298
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -154.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1812.639626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.639626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.639626 (E_RNA)
where:
Base-Base interactions energy: -1197.215
where: short stacking energy: -514.957
Base-Backbone interact. energy: -0.184
local terms energy: -615.241103
where:
bonds (distance) C4'-P energy: -114.506
bonds (distance) P-C4' energy: -120.781
flat angles C4'-P-C4' energy: -140.065
flat angles P-C4'-P energy: -89.758
tors. eta vs tors. theta energy: -150.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1646.146852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.146852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.146852 (E_RNA)
where:
Base-Base interactions energy: -1075.094
where: short stacking energy: -443.664
Base-Backbone interact. energy: -0.638
local terms energy: -570.414935
where:
bonds (distance) C4'-P energy: -129.260
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -130.080
flat angles P-C4'-P energy: -73.200
tors. eta vs tors. theta energy: -126.201
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: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1291.181087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.181087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.181087 (E_RNA)
where:
Base-Base interactions energy: -779.399
where: short stacking energy: -361.180
Base-Backbone interact. energy: -1.718
local terms energy: -510.064109
where:
bonds (distance) C4'-P energy: -116.125
bonds (distance) P-C4' energy: -107.266
flat angles C4'-P-C4' energy: -115.658
flat angles P-C4'-P energy: -65.699
tors. eta vs tors. theta energy: -105.315
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: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1118.895381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.895381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.895381 (E_RNA)
where:
Base-Base interactions energy: -645.412
where: short stacking energy: -333.292
Base-Backbone interact. energy: -2.546
local terms energy: -470.936558
where:
bonds (distance) C4'-P energy: -107.438
bonds (distance) P-C4' energy: -100.862
flat angles C4'-P-C4' energy: -102.535
flat angles P-C4'-P energy: -79.263
tors. eta vs tors. theta energy: -80.839
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: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1058.891559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.891559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.891559 (E_RNA)
where:
Base-Base interactions energy: -641.970
where: short stacking energy: -271.859
Base-Backbone interact. energy: -1.553
local terms energy: -415.368496
where:
bonds (distance) C4'-P energy: -96.665
bonds (distance) P-C4' energy: -98.433
flat angles C4'-P-C4' energy: -104.868
flat angles P-C4'-P energy: -59.434
tors. eta vs tors. theta energy: -55.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -765.169256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.169256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.169256 (E_RNA)
where:
Base-Base interactions energy: -402.755
where: short stacking energy: -222.286
Base-Backbone interact. energy: 4.433
local terms energy: -366.847638
where:
bonds (distance) C4'-P energy: -106.167
bonds (distance) P-C4' energy: -93.337
flat angles C4'-P-C4' energy: -89.762
flat angles P-C4'-P energy: -57.715
tors. eta vs tors. theta energy: -19.868
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: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -432.210407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.210407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.210407 (E_RNA)
where:
Base-Base interactions energy: -114.286
where: short stacking energy: -92.112
Base-Backbone interact. energy: 4.207
local terms energy: -322.132005
where:
bonds (distance) C4'-P energy: -123.334
bonds (distance) P-C4' energy: -113.347
flat angles C4'-P-C4' energy: -66.433
flat angles P-C4'-P energy: -45.560
tors. eta vs tors. theta energy: 26.542
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: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2127.825334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.825334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.825334 (E_RNA)
where:
Base-Base interactions energy: -1467.132
where: short stacking energy: -577.932
Base-Backbone interact. energy: -2.665
local terms energy: -658.027799
where:
bonds (distance) C4'-P energy: -138.166
bonds (distance) P-C4' energy: -127.919
flat angles C4'-P-C4' energy: -140.580
flat angles P-C4'-P energy: -84.484
tors. eta vs tors. theta energy: -166.879
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: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2035.167454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.167454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.167454 (E_RNA)
where:
Base-Base interactions energy: -1367.168
where: short stacking energy: -569.029
Base-Backbone interact. energy: -6.346
local terms energy: -661.653031
where:
bonds (distance) C4'-P energy: -123.646
bonds (distance) P-C4' energy: -120.617
flat angles C4'-P-C4' energy: -148.571
flat angles P-C4'-P energy: -94.296
tors. eta vs tors. theta energy: -174.525
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: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1938.947297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.947297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.947297 (E_RNA)
where:
Base-Base interactions energy: -1333.969
where: short stacking energy: -552.543
Base-Backbone interact. energy: -2.223
local terms energy: -602.755010
where:
bonds (distance) C4'-P energy: -102.454
bonds (distance) P-C4' energy: -127.393
flat angles C4'-P-C4' energy: -115.733
flat angles P-C4'-P energy: -94.534
tors. eta vs tors. theta energy: -162.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1759.200632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.200632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.200632 (E_RNA)
where:
Base-Base interactions energy: -1182.274
where: short stacking energy: -494.368
Base-Backbone interact. energy: 6.882
local terms energy: -583.809402
where:
bonds (distance) C4'-P energy: -110.345
bonds (distance) P-C4' energy: -116.188
flat angles C4'-P-C4' energy: -130.653
flat angles P-C4'-P energy: -81.038
tors. eta vs tors. theta energy: -145.585
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: 96
Temperature: 1.100000
Total energy: -1626.146008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.146008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.146008 (E_RNA)
where:
Base-Base interactions energy: -1083.106
where: short stacking energy: -450.707
Base-Backbone interact. energy: -3.980
local terms energy: -539.059700
where:
bonds (distance) C4'-P energy: -100.520
bonds (distance) P-C4' energy: -122.035
flat angles C4'-P-C4' energy: -116.134
flat angles P-C4'-P energy: -66.479
tors. eta vs tors. theta energy: -133.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1324.283050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.283050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.283050 (E_RNA)
where:
Base-Base interactions energy: -855.826
where: short stacking energy: -360.799
Base-Backbone interact. energy: 3.563
local terms energy: -472.020306
where:
bonds (distance) C4'-P energy: -79.237
bonds (distance) P-C4' energy: -123.413
flat angles C4'-P-C4' energy: -95.287
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -103.675
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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1072.954313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.954313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.954313 (E_RNA)
where:
Base-Base interactions energy: -598.258
where: short stacking energy: -301.290
Base-Backbone interact. energy: -3.187
local terms energy: -471.509486
where:
bonds (distance) C4'-P energy: -108.636
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -105.088
flat angles P-C4'-P energy: -70.855
tors. eta vs tors. theta energy: -62.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1069.030566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.030566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.030566 (E_RNA)
where:
Base-Base interactions energy: -633.536
where: short stacking energy: -302.733
Base-Backbone interact. energy: -1.588
local terms energy: -433.906016
where:
bonds (distance) C4'-P energy: -95.217
bonds (distance) P-C4' energy: -110.052
flat angles C4'-P-C4' energy: -104.082
flat angles P-C4'-P energy: -73.144
tors. eta vs tors. theta energy: -51.410
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: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -797.698495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.698495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.698495 (E_RNA)
where:
Base-Base interactions energy: -384.709
where: short stacking energy: -218.611
Base-Backbone interact. energy: -0.139
local terms energy: -412.850886
where:
bonds (distance) C4'-P energy: -112.336
bonds (distance) P-C4' energy: -120.402
flat angles C4'-P-C4' energy: -100.044
flat angles P-C4'-P energy: -41.587
tors. eta vs tors. theta energy: -38.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -468.600787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.600787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.600787 (E_RNA)
where:
Base-Base interactions energy: -159.359
where: short stacking energy: -110.823
Base-Backbone interact. energy: -0.295
local terms energy: -308.946464
where:
bonds (distance) C4'-P energy: -100.647
bonds (distance) P-C4' energy: -115.400
flat angles C4'-P-C4' energy: -78.210
flat angles P-C4'-P energy: -44.492
tors. eta vs tors. theta energy: 29.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2097.748238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.748238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.748238 (E_RNA)
where:
Base-Base interactions energy: -1453.273
where: short stacking energy: -573.007
Base-Backbone interact. energy: -3.886
local terms energy: -640.589422
where:
bonds (distance) C4'-P energy: -121.290
bonds (distance) P-C4' energy: -114.855
flat angles C4'-P-C4' energy: -141.060
flat angles P-C4'-P energy: -89.848
tors. eta vs tors. theta energy: -173.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2017.363112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.363112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.363112 (E_RNA)
where:
Base-Base interactions energy: -1349.157
where: short stacking energy: -622.777
Base-Backbone interact. energy: -4.476
local terms energy: -663.729377
where:
bonds (distance) C4'-P energy: -126.825
bonds (distance) P-C4' energy: -116.883
flat angles C4'-P-C4' energy: -138.629
flat angles P-C4'-P energy: -101.468
tors. eta vs tors. theta energy: -179.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1939.670920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.670920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.670920 (E_RNA)
where:
Base-Base interactions energy: -1327.653
where: short stacking energy: -547.453
Base-Backbone interact. energy: -5.351
local terms energy: -606.666625
where:
bonds (distance) C4'-P energy: -112.736
bonds (distance) P-C4' energy: -118.705
flat angles C4'-P-C4' energy: -132.183
flat angles P-C4'-P energy: -84.723
tors. eta vs tors. theta energy: -158.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1775.042196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.042196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.042196 (E_RNA)
where:
Base-Base interactions energy: -1181.971
where: short stacking energy: -467.604
Base-Backbone interact. energy: 0.418
local terms energy: -593.489429
where:
bonds (distance) C4'-P energy: -133.558
bonds (distance) P-C4' energy: -108.376
flat angles C4'-P-C4' energy: -128.301
flat angles P-C4'-P energy: -81.477
tors. eta vs tors. theta energy: -141.777
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1658.541759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.541759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.541759 (E_RNA)
where:
Base-Base interactions energy: -1079.079
where: short stacking energy: -464.994
Base-Backbone interact. energy: 0.195
local terms energy: -579.657643
where:
bonds (distance) C4'-P energy: -106.185
bonds (distance) P-C4' energy: -109.568
flat angles C4'-P-C4' energy: -138.384
flat angles P-C4'-P energy: -88.032
tors. eta vs tors. theta energy: -137.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1364.264406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.264406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.264406 (E_RNA)
where:
Base-Base interactions energy: -859.210
where: short stacking energy: -368.575
Base-Backbone interact. energy: -3.036
local terms energy: -502.018807
where:
bonds (distance) C4'-P energy: -103.714
bonds (distance) P-C4' energy: -114.863
flat angles C4'-P-C4' energy: -104.079
flat angles P-C4'-P energy: -75.669
tors. eta vs tors. theta energy: -103.695
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: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1070.733628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.733628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.733628 (E_RNA)
where:
Base-Base interactions energy: -617.265
where: short stacking energy: -303.097
Base-Backbone interact. energy: 1.128
local terms energy: -454.597125
where:
bonds (distance) C4'-P energy: -101.460
bonds (distance) P-C4' energy: -98.948
flat angles C4'-P-C4' energy: -118.353
flat angles P-C4'-P energy: -76.365
tors. eta vs tors. theta energy: -59.471
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: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -993.549700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.549700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.549700 (E_RNA)
where:
Base-Base interactions energy: -584.376
where: short stacking energy: -277.064
Base-Backbone interact. energy: 0.380
local terms energy: -409.554224
where:
bonds (distance) C4'-P energy: -89.056
bonds (distance) P-C4' energy: -95.553
flat angles C4'-P-C4' energy: -104.460
flat angles P-C4'-P energy: -65.715
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: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -728.961070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.961070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.961070 (E_RNA)
where:
Base-Base interactions energy: -369.791
where: short stacking energy: -184.071
Base-Backbone interact. energy: 1.568
local terms energy: -360.738532
where:
bonds (distance) C4'-P energy: -109.719
bonds (distance) P-C4' energy: -117.712
flat angles C4'-P-C4' energy: -83.033
flat angles P-C4'-P energy: -49.444
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -439.151158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.151158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.151158 (E_RNA)
where:
Base-Base interactions energy: -148.586
where: short stacking energy: -125.482
Base-Backbone interact. energy: 4.475
local terms energy: -295.041009
where:
bonds (distance) C4'-P energy: -90.550
bonds (distance) P-C4' energy: -95.186
flat angles C4'-P-C4' energy: -99.116
flat angles P-C4'-P energy: -40.669
tors. eta vs tors. theta energy: 30.480
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: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2111.700314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.700314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.700314 (E_RNA)
where:
Base-Base interactions energy: -1446.684
where: short stacking energy: -571.964
Base-Backbone interact. energy: -3.133
local terms energy: -661.883172
where:
bonds (distance) C4'-P energy: -136.583
bonds (distance) P-C4' energy: -121.112
flat angles C4'-P-C4' energy: -141.675
flat angles P-C4'-P energy: -95.634
tors. eta vs tors. theta energy: -166.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2050.384296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.384296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.384296 (E_RNA)
where:
Base-Base interactions energy: -1376.764
where: short stacking energy: -606.710
Base-Backbone interact. energy: -1.427
local terms energy: -672.193174
where:
bonds (distance) C4'-P energy: -125.639
bonds (distance) P-C4' energy: -141.432
flat angles C4'-P-C4' energy: -127.791
flat angles P-C4'-P energy: -94.463
tors. eta vs tors. theta energy: -182.868
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: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1984.287848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.287848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.287848 (E_RNA)
where:
Base-Base interactions energy: -1372.823
where: short stacking energy: -559.435
Base-Backbone interact. energy: -1.485
local terms energy: -609.979885
where:
bonds (distance) C4'-P energy: -115.034
bonds (distance) P-C4' energy: -106.526
flat angles C4'-P-C4' energy: -143.523
flat angles P-C4'-P energy: -76.605
tors. eta vs tors. theta energy: -168.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1789.466034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.466034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.466034 (E_RNA)
where:
Base-Base interactions energy: -1197.816
where: short stacking energy: -516.252
Base-Backbone interact. energy: -1.716
local terms energy: -589.933675
where:
bonds (distance) C4'-P energy: -107.562
bonds (distance) P-C4' energy: -124.572
flat angles C4'-P-C4' energy: -140.437
flat angles P-C4'-P energy: -81.702
tors. eta vs tors. theta energy: -135.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1661.685164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.685164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.685164 (E_RNA)
where:
Base-Base interactions energy: -1096.725
where: short stacking energy: -476.102
Base-Backbone interact. energy: -3.894
local terms energy: -561.066383
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -114.971
flat angles C4'-P-C4' energy: -121.451
flat angles P-C4'-P energy: -79.858
tors. eta vs tors. theta energy: -141.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1383.445690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.445690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.445690 (E_RNA)
where:
Base-Base interactions energy: -904.168
where: short stacking energy: -417.674
Base-Backbone interact. energy: -1.696
local terms energy: -477.581848
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -103.978
flat angles C4'-P-C4' energy: -108.762
flat angles P-C4'-P energy: -77.409
tors. eta vs tors. theta energy: -97.904
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1106.028845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.028845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.028845 (E_RNA)
where:
Base-Base interactions energy: -666.047
where: short stacking energy: -311.909
Base-Backbone interact. energy: 1.695
local terms energy: -441.676458
where:
bonds (distance) C4'-P energy: -94.808
bonds (distance) P-C4' energy: -104.842
flat angles C4'-P-C4' energy: -106.857
flat angles P-C4'-P energy: -70.213
tors. eta vs tors. theta energy: -64.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1042.199485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.199485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.199485 (E_RNA)
where:
Base-Base interactions energy: -606.083
where: short stacking energy: -278.998
Base-Backbone interact. energy: 0.643
local terms energy: -436.759113
where:
bonds (distance) C4'-P energy: -107.104
bonds (distance) P-C4' energy: -93.239
flat angles C4'-P-C4' energy: -97.749
flat angles P-C4'-P energy: -76.686
tors. eta vs tors. theta energy: -61.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -767.337249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.337249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.337249 (E_RNA)
where:
Base-Base interactions energy: -413.558
where: short stacking energy: -229.341
Base-Backbone interact. energy: -1.948
local terms energy: -351.830998
where:
bonds (distance) C4'-P energy: -95.085
bonds (distance) P-C4' energy: -93.940
flat angles C4'-P-C4' energy: -89.047
flat angles P-C4'-P energy: -57.982
tors. eta vs tors. theta energy: -15.777
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: 98
Temperature: 1.350000
Total energy: -441.108547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.108547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.108547 (E_RNA)
where:
Base-Base interactions energy: -129.362
where: short stacking energy: -117.147
Base-Backbone interact. energy: 0.936
local terms energy: -312.682053
where:
bonds (distance) C4'-P energy: -101.901
bonds (distance) P-C4' energy: -98.443
flat angles C4'-P-C4' energy: -79.493
flat angles P-C4'-P energy: -61.013
tors. eta vs tors. theta energy: 28.169
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: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2111.401058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.401058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.401058 (E_RNA)
where:
Base-Base interactions energy: -1456.764
where: short stacking energy: -585.658
Base-Backbone interact. energy: -2.358
local terms energy: -652.279978
where:
bonds (distance) C4'-P energy: -123.265
bonds (distance) P-C4' energy: -129.173
flat angles C4'-P-C4' energy: -134.168
flat angles P-C4'-P energy: -90.179
tors. eta vs tors. theta energy: -175.495
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: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2026.567300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.567300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.567300 (E_RNA)
where:
Base-Base interactions energy: -1374.999
where: short stacking energy: -591.349
Base-Backbone interact. energy: -4.049
local terms energy: -647.519823
where:
bonds (distance) C4'-P energy: -117.669
bonds (distance) P-C4' energy: -128.469
flat angles C4'-P-C4' energy: -140.058
flat angles P-C4'-P energy: -79.053
tors. eta vs tors. theta energy: -182.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2019.585201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.585201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.585201 (E_RNA)
where:
Base-Base interactions energy: -1383.715
where: short stacking energy: -585.666
Base-Backbone interact. energy: -3.470
local terms energy: -632.400381
where:
bonds (distance) C4'-P energy: -119.788
bonds (distance) P-C4' energy: -128.379
flat angles C4'-P-C4' energy: -128.249
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -184.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1783.714455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.714455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.714455 (E_RNA)
where:
Base-Base interactions energy: -1218.452
where: short stacking energy: -505.259
Base-Backbone interact. energy: -0.016
local terms energy: -565.245667
where:
bonds (distance) C4'-P energy: -98.075
bonds (distance) P-C4' energy: -105.113
flat angles C4'-P-C4' energy: -135.576
flat angles P-C4'-P energy: -80.477
tors. eta vs tors. theta energy: -146.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1637.262976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.262976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.262976 (E_RNA)
where:
Base-Base interactions energy: -1088.184
where: short stacking energy: -448.724
Base-Backbone interact. energy: -4.077
local terms energy: -545.001546
where:
bonds (distance) C4'-P energy: -90.084
bonds (distance) P-C4' energy: -117.525
flat angles C4'-P-C4' energy: -127.360
flat angles P-C4'-P energy: -76.726
tors. eta vs tors. theta energy: -133.307
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: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1330.588388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.588388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.588388 (E_RNA)
where:
Base-Base interactions energy: -840.846
where: short stacking energy: -378.851
Base-Backbone interact. energy: -1.551
local terms energy: -488.191374
where:
bonds (distance) C4'-P energy: -92.263
bonds (distance) P-C4' energy: -119.415
flat angles C4'-P-C4' energy: -117.212
flat angles P-C4'-P energy: -69.922
tors. eta vs tors. theta energy: -89.379
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: 99
Temperature: 1.200000
Total energy: -1105.159195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.159195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.159195 (E_RNA)
where:
Base-Base interactions energy: -637.513
where: short stacking energy: -293.647
Base-Backbone interact. energy: -3.499
local terms energy: -464.146865
where:
bonds (distance) C4'-P energy: -115.561
bonds (distance) P-C4' energy: -124.751
flat angles C4'-P-C4' energy: -104.480
flat angles P-C4'-P energy: -69.864
tors. eta vs tors. theta energy: -49.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1021.779872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.779872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.779872 (E_RNA)
where:
Base-Base interactions energy: -616.773
where: short stacking energy: -271.290
Base-Backbone interact. energy: -2.171
local terms energy: -402.835709
where:
bonds (distance) C4'-P energy: -86.796
bonds (distance) P-C4' energy: -113.372
flat angles C4'-P-C4' energy: -79.570
flat angles P-C4'-P energy: -72.877
tors. eta vs tors. theta energy: -50.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -750.679102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.679102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.679102 (E_RNA)
where:
Base-Base interactions energy: -352.985
where: short stacking energy: -193.903
Base-Backbone interact. energy: 7.311
local terms energy: -405.004441
where:
bonds (distance) C4'-P energy: -112.828
bonds (distance) P-C4' energy: -115.689
flat angles C4'-P-C4' energy: -99.781
flat angles P-C4'-P energy: -55.913
tors. eta vs tors. theta energy: -20.793
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: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -439.993554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.993554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.993554 (E_RNA)
where:
Base-Base interactions energy: -115.486
where: short stacking energy: -93.130
Base-Backbone interact. energy: 11.889
local terms energy: -336.396545
where:
bonds (distance) C4'-P energy: -109.946
bonds (distance) P-C4' energy: -105.851
flat angles C4'-P-C4' energy: -101.344
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: 21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2136.234425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.234425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.234425 (E_RNA)
where:
Base-Base interactions energy: -1469.070
where: short stacking energy: -587.719
Base-Backbone interact. energy: -4.066
local terms energy: -663.098590
where:
bonds (distance) C4'-P energy: -124.231
bonds (distance) P-C4' energy: -127.357
flat angles C4'-P-C4' energy: -152.873
flat angles P-C4'-P energy: -99.167
tors. eta vs tors. theta energy: -159.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2048.568598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.568598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.568598 (E_RNA)
where:
Base-Base interactions energy: -1394.189
where: short stacking energy: -596.436
Base-Backbone interact. energy: -2.389
local terms energy: -651.990871
where:
bonds (distance) C4'-P energy: -111.975
bonds (distance) P-C4' energy: -135.200
flat angles C4'-P-C4' energy: -136.526
flat angles P-C4'-P energy: -85.279
tors. eta vs tors. theta energy: -183.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1999.427864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.427864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.427864 (E_RNA)
where:
Base-Base interactions energy: -1366.485
where: short stacking energy: -581.191
Base-Backbone interact. energy: -0.742
local terms energy: -632.200336
where:
bonds (distance) C4'-P energy: -107.116
bonds (distance) P-C4' energy: -121.410
flat angles C4'-P-C4' energy: -146.605
flat angles P-C4'-P energy: -84.940
tors. eta vs tors. theta energy: -172.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1788.429386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.429386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.429386 (E_RNA)
where:
Base-Base interactions energy: -1209.510
where: short stacking energy: -502.133
Base-Backbone interact. energy: 6.867
local terms energy: -585.786902
where:
bonds (distance) C4'-P energy: -107.858
bonds (distance) P-C4' energy: -124.712
flat angles C4'-P-C4' energy: -133.397
flat angles P-C4'-P energy: -71.975
tors. eta vs tors. theta energy: -147.845
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: 100
Temperature: 1.100000
Total energy: -1633.312805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.312805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.312805 (E_RNA)
where:
Base-Base interactions energy: -1087.901
where: short stacking energy: -460.383
Base-Backbone interact. energy: 1.547
local terms energy: -546.959178
where:
bonds (distance) C4'-P energy: -103.320
bonds (distance) P-C4' energy: -121.663
flat angles C4'-P-C4' energy: -116.091
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -135.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1337.570909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.570909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.570909 (E_RNA)
where:
Base-Base interactions energy: -826.103
where: short stacking energy: -387.653
Base-Backbone interact. energy: 4.010
local terms energy: -515.477150
where:
bonds (distance) C4'-P energy: -126.108
bonds (distance) P-C4' energy: -105.271
flat angles C4'-P-C4' energy: -122.318
flat angles P-C4'-P energy: -60.601
tors. eta vs tors. theta energy: -101.179
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1142.192818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.192818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.192818 (E_RNA)
where:
Base-Base interactions energy: -693.816
where: short stacking energy: -317.787
Base-Backbone interact. energy: -0.089
local terms energy: -448.287072
where:
bonds (distance) C4'-P energy: -104.771
bonds (distance) P-C4' energy: -106.940
flat angles C4'-P-C4' energy: -111.771
flat angles P-C4'-P energy: -65.048
tors. eta vs tors. theta energy: -59.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1034.656022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.656022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.656022 (E_RNA)
where:
Base-Base interactions energy: -606.507
where: short stacking energy: -280.277
Base-Backbone interact. energy: -0.261
local terms energy: -427.888696
where:
bonds (distance) C4'-P energy: -104.147
bonds (distance) P-C4' energy: -104.537
flat angles C4'-P-C4' energy: -99.660
flat angles P-C4'-P energy: -72.233
tors. eta vs tors. theta energy: -47.312
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: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -726.518003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.518003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.518003 (E_RNA)
where:
Base-Base interactions energy: -345.359
where: short stacking energy: -189.703
Base-Backbone interact. energy: 3.740
local terms energy: -384.898640
where:
bonds (distance) C4'-P energy: -93.847
bonds (distance) P-C4' energy: -112.492
flat angles C4'-P-C4' energy: -101.786
flat angles P-C4'-P energy: -67.256
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -461.632086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.632086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.632086 (E_RNA)
where:
Base-Base interactions energy: -109.111
where: short stacking energy: -98.107
Base-Backbone interact. energy: 2.377
local terms energy: -354.897744
where:
bonds (distance) C4'-P energy: -102.086
bonds (distance) P-C4' energy: -106.188
flat angles C4'-P-C4' energy: -98.013
flat angles P-C4'-P energy: -51.942
tors. eta vs tors. theta energy: 3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2154.630044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.630044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.630044 (E_RNA)
where:
Base-Base interactions energy: -1502.486
where: short stacking energy: -591.908
Base-Backbone interact. energy: -3.202
local terms energy: -648.942097
where:
bonds (distance) C4'-P energy: -133.389
bonds (distance) P-C4' energy: -110.833
flat angles C4'-P-C4' energy: -136.922
flat angles P-C4'-P energy: -92.983
tors. eta vs tors. theta energy: -174.815
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: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2048.833331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.833331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.833331 (E_RNA)
where:
Base-Base interactions energy: -1395.688
where: short stacking energy: -577.285
Base-Backbone interact. energy: -4.355
local terms energy: -648.790338
where:
bonds (distance) C4'-P energy: -117.488
bonds (distance) P-C4' energy: -120.470
flat angles C4'-P-C4' energy: -133.933
flat angles P-C4'-P energy: -96.061
tors. eta vs tors. theta energy: -180.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1998.000058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.000058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.000058 (E_RNA)
where:
Base-Base interactions energy: -1346.293
where: short stacking energy: -556.823
Base-Backbone interact. energy: -5.433
local terms energy: -646.273987
where:
bonds (distance) C4'-P energy: -122.967
bonds (distance) P-C4' energy: -134.031
flat angles C4'-P-C4' energy: -138.021
flat angles P-C4'-P energy: -80.811
tors. eta vs tors. theta energy: -170.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1852.246978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.246978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.246978 (E_RNA)
where:
Base-Base interactions energy: -1224.646
where: short stacking energy: -502.203
Base-Backbone interact. energy: -2.734
local terms energy: -624.866698
where:
bonds (distance) C4'-P energy: -124.292
bonds (distance) P-C4' energy: -131.491
flat angles C4'-P-C4' energy: -127.546
flat angles P-C4'-P energy: -87.959
tors. eta vs tors. theta energy: -153.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1652.870105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.870105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.870105 (E_RNA)
where:
Base-Base interactions energy: -1077.247
where: short stacking energy: -472.316
Base-Backbone interact. energy: -3.384
local terms energy: -572.239167
where:
bonds (distance) C4'-P energy: -87.101
bonds (distance) P-C4' energy: -123.553
flat angles C4'-P-C4' energy: -124.062
flat angles P-C4'-P energy: -90.651
tors. eta vs tors. theta energy: -146.872
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: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1317.458980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.458980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.458980 (E_RNA)
where:
Base-Base interactions energy: -823.685
where: short stacking energy: -362.990
Base-Backbone interact. energy: -1.636
local terms energy: -492.138096
where:
bonds (distance) C4'-P energy: -102.359
bonds (distance) P-C4' energy: -118.260
flat angles C4'-P-C4' energy: -124.232
flat angles P-C4'-P energy: -62.230
tors. eta vs tors. theta energy: -85.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1171.777716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.777716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.777716 (E_RNA)
where:
Base-Base interactions energy: -687.253
where: short stacking energy: -316.154
Base-Backbone interact. energy: -0.611
local terms energy: -483.913192
where:
bonds (distance) C4'-P energy: -97.970
bonds (distance) P-C4' energy: -112.572
flat angles C4'-P-C4' energy: -114.642
flat angles P-C4'-P energy: -79.248
tors. eta vs tors. theta energy: -79.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1037.385536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.385536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.385536 (E_RNA)
where:
Base-Base interactions energy: -636.872
where: short stacking energy: -286.325
Base-Backbone interact. energy: 0.177
local terms energy: -400.689932
where:
bonds (distance) C4'-P energy: -90.706
bonds (distance) P-C4' energy: -107.086
flat angles C4'-P-C4' energy: -112.426
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -43.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -757.494473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.494473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.494473 (E_RNA)
where:
Base-Base interactions energy: -374.691
where: short stacking energy: -222.839
Base-Backbone interact. energy: 1.308
local terms energy: -384.112025
where:
bonds (distance) C4'-P energy: -93.296
bonds (distance) P-C4' energy: -123.256
flat angles C4'-P-C4' energy: -93.229
flat angles P-C4'-P energy: -55.643
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -478.127511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.127511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.127511 (E_RNA)
where:
Base-Base interactions energy: -197.559
where: short stacking energy: -130.372
Base-Backbone interact. energy: -4.976
local terms energy: -275.592530
where:
bonds (distance) C4'-P energy: -80.337
bonds (distance) P-C4' energy: -92.662
flat angles C4'-P-C4' energy: -102.802
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: 31.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2152.290807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.290807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.290807 (E_RNA)
where:
Base-Base interactions energy: -1500.131
where: short stacking energy: -590.832
Base-Backbone interact. energy: -0.744
local terms energy: -651.415775
where:
bonds (distance) C4'-P energy: -111.518
bonds (distance) P-C4' energy: -125.150
flat angles C4'-P-C4' energy: -144.630
flat angles P-C4'-P energy: -98.926
tors. eta vs tors. theta energy: -171.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2036.858022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.858022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.858022 (E_RNA)
where:
Base-Base interactions energy: -1365.291
where: short stacking energy: -584.012
Base-Backbone interact. energy: -3.376
local terms energy: -668.191365
where:
bonds (distance) C4'-P energy: -114.889
bonds (distance) P-C4' energy: -116.551
flat angles C4'-P-C4' energy: -142.977
flat angles P-C4'-P energy: -98.209
tors. eta vs tors. theta energy: -195.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2028.426063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.426063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.426063 (E_RNA)
where:
Base-Base interactions energy: -1382.995
where: short stacking energy: -563.168
Base-Backbone interact. energy: -4.715
local terms energy: -640.716198
where:
bonds (distance) C4'-P energy: -115.117
bonds (distance) P-C4' energy: -128.851
flat angles C4'-P-C4' energy: -134.077
flat angles P-C4'-P energy: -89.941
tors. eta vs tors. theta energy: -172.730
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: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1784.001784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.001784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.001784 (E_RNA)
where:
Base-Base interactions energy: -1169.119
where: short stacking energy: -492.747
Base-Backbone interact. energy: 0.455
local terms energy: -615.337712
where:
bonds (distance) C4'-P energy: -123.827
bonds (distance) P-C4' energy: -118.067
flat angles C4'-P-C4' energy: -135.931
flat angles P-C4'-P energy: -90.690
tors. eta vs tors. theta energy: -146.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1696.019879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.019879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.019879 (E_RNA)
where:
Base-Base interactions energy: -1145.090
where: short stacking energy: -484.919
Base-Backbone interact. energy: 1.704
local terms energy: -552.633334
where:
bonds (distance) C4'-P energy: -110.043
bonds (distance) P-C4' energy: -99.123
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -72.959
tors. eta vs tors. theta energy: -152.271
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: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1338.463701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.463701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.463701 (E_RNA)
where:
Base-Base interactions energy: -848.358
where: short stacking energy: -387.026
Base-Backbone interact. energy: 1.230
local terms energy: -491.336416
where:
bonds (distance) C4'-P energy: -94.766
bonds (distance) P-C4' energy: -105.822
flat angles C4'-P-C4' energy: -117.988
flat angles P-C4'-P energy: -68.335
tors. eta vs tors. theta energy: -104.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1174.607188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.607188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.607188 (E_RNA)
where:
Base-Base interactions energy: -687.368
where: short stacking energy: -318.612
Base-Backbone interact. energy: 1.285
local terms energy: -488.523631
where:
bonds (distance) C4'-P energy: -110.151
bonds (distance) P-C4' energy: -107.006
flat angles C4'-P-C4' energy: -117.546
flat angles P-C4'-P energy: -80.192
tors. eta vs tors. theta energy: -73.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1027.127059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.127059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.127059 (E_RNA)
where:
Base-Base interactions energy: -620.831
where: short stacking energy: -307.428
Base-Backbone interact. energy: 0.573
local terms energy: -406.869351
where:
bonds (distance) C4'-P energy: -98.656
bonds (distance) P-C4' energy: -106.338
flat angles C4'-P-C4' energy: -105.754
flat angles P-C4'-P energy: -52.658
tors. eta vs tors. theta energy: -43.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -733.675757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.675757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.675757 (E_RNA)
where:
Base-Base interactions energy: -363.595
where: short stacking energy: -196.674
Base-Backbone interact. energy: 1.375
local terms energy: -371.456044
where:
bonds (distance) C4'-P energy: -80.595
bonds (distance) P-C4' energy: -95.498
flat angles C4'-P-C4' energy: -112.412
flat angles P-C4'-P energy: -72.621
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -474.626386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.626386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.626386 (E_RNA)
where:
Base-Base interactions energy: -166.055
where: short stacking energy: -134.374
Base-Backbone interact. energy: -1.590
local terms energy: -306.981149
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -98.953
flat angles C4'-P-C4' energy: -64.389
flat angles P-C4'-P energy: -63.529
tors. eta vs tors. theta energy: 13.535
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: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2136.851308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.851308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.851308 (E_RNA)
where:
Base-Base interactions energy: -1488.925
where: short stacking energy: -576.379
Base-Backbone interact. energy: 0.373
local terms energy: -648.299282
where:
bonds (distance) C4'-P energy: -118.032
bonds (distance) P-C4' energy: -124.257
flat angles C4'-P-C4' energy: -135.148
flat angles P-C4'-P energy: -106.295
tors. eta vs tors. theta energy: -164.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2053.863600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.863600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.863600 (E_RNA)
where:
Base-Base interactions energy: -1369.886
where: short stacking energy: -592.855
Base-Backbone interact. energy: -0.128
local terms energy: -683.849506
where:
bonds (distance) C4'-P energy: -121.375
bonds (distance) P-C4' energy: -132.833
flat angles C4'-P-C4' energy: -149.126
flat angles P-C4'-P energy: -92.515
tors. eta vs tors. theta energy: -188.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1994.043209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.043209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.043209 (E_RNA)
where:
Base-Base interactions energy: -1382.847
where: short stacking energy: -579.993
Base-Backbone interact. energy: -2.944
local terms energy: -608.252726
where:
bonds (distance) C4'-P energy: -117.974
bonds (distance) P-C4' energy: -106.377
flat angles C4'-P-C4' energy: -135.917
flat angles P-C4'-P energy: -80.580
tors. eta vs tors. theta energy: -167.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1789.178093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.178093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.178093 (E_RNA)
where:
Base-Base interactions energy: -1206.928
where: short stacking energy: -505.467
Base-Backbone interact. energy: -3.096
local terms energy: -579.154209
where:
bonds (distance) C4'-P energy: -108.103
bonds (distance) P-C4' energy: -116.279
flat angles C4'-P-C4' energy: -135.534
flat angles P-C4'-P energy: -76.642
tors. eta vs tors. theta energy: -142.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1656.996525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.996525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.996525 (E_RNA)
where:
Base-Base interactions energy: -1103.218
where: short stacking energy: -447.654
Base-Backbone interact. energy: 0.950
local terms energy: -554.728249
where:
bonds (distance) C4'-P energy: -115.206
bonds (distance) P-C4' energy: -109.112
flat angles C4'-P-C4' energy: -129.709
flat angles P-C4'-P energy: -66.569
tors. eta vs tors. theta energy: -134.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1332.423866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.423866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.423866 (E_RNA)
where:
Base-Base interactions energy: -800.726
where: short stacking energy: -349.232
Base-Backbone interact. energy: 0.424
local terms energy: -532.121781
where:
bonds (distance) C4'-P energy: -108.118
bonds (distance) P-C4' energy: -127.366
flat angles C4'-P-C4' energy: -125.784
flat angles P-C4'-P energy: -82.412
tors. eta vs tors. theta energy: -88.442
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: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1234.852563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.852563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.852563 (E_RNA)
where:
Base-Base interactions energy: -752.702
where: short stacking energy: -323.451
Base-Backbone interact. energy: 0.630
local terms energy: -482.780534
where:
bonds (distance) C4'-P energy: -112.449
bonds (distance) P-C4' energy: -119.226
flat angles C4'-P-C4' energy: -113.882
flat angles P-C4'-P energy: -71.491
tors. eta vs tors. theta energy: -65.732
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: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1096.697036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.697036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.697036 (E_RNA)
where:
Base-Base interactions energy: -697.004
where: short stacking energy: -297.041
Base-Backbone interact. energy: 1.315
local terms energy: -401.007237
where:
bonds (distance) C4'-P energy: -97.504
bonds (distance) P-C4' energy: -83.869
flat angles C4'-P-C4' energy: -101.879
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -55.577
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -762.891122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.891122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.891122 (E_RNA)
where:
Base-Base interactions energy: -391.171
where: short stacking energy: -195.265
Base-Backbone interact. energy: 4.698
local terms energy: -376.417662
where:
bonds (distance) C4'-P energy: -94.123
bonds (distance) P-C4' energy: -102.192
flat angles C4'-P-C4' energy: -105.170
flat angles P-C4'-P energy: -63.104
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -468.141439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.141439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.141439 (E_RNA)
where:
Base-Base interactions energy: -133.890
where: short stacking energy: -121.009
Base-Backbone interact. energy: -1.563
local terms energy: -332.687834
where:
bonds (distance) C4'-P energy: -98.428
bonds (distance) P-C4' energy: -117.076
flat angles C4'-P-C4' energy: -108.795
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: 37.790
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: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2156.416352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.416352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.416352 (E_RNA)
where:
Base-Base interactions energy: -1502.930
where: short stacking energy: -591.682
Base-Backbone interact. energy: -3.405
local terms energy: -650.081329
where:
bonds (distance) C4'-P energy: -118.877
bonds (distance) P-C4' energy: -121.717
flat angles C4'-P-C4' energy: -144.387
flat angles P-C4'-P energy: -95.275
tors. eta vs tors. theta energy: -169.825
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: 104
Temperature: 0.950000
Total energy: -2010.017798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.017798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.017798 (E_RNA)
where:
Base-Base interactions energy: -1327.682
where: short stacking energy: -571.897
Base-Backbone interact. energy: -3.834
local terms energy: -678.502105
where:
bonds (distance) C4'-P energy: -119.047
bonds (distance) P-C4' energy: -141.205
flat angles C4'-P-C4' energy: -153.407
flat angles P-C4'-P energy: -84.158
tors. eta vs tors. theta energy: -180.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1981.957340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.957340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.957340 (E_RNA)
where:
Base-Base interactions energy: -1346.540
where: short stacking energy: -534.722
Base-Backbone interact. energy: -6.351
local terms energy: -629.065843
where:
bonds (distance) C4'-P energy: -121.184
bonds (distance) P-C4' energy: -121.168
flat angles C4'-P-C4' energy: -145.490
flat angles P-C4'-P energy: -79.716
tors. eta vs tors. theta energy: -161.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1797.501505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.501505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.501505 (E_RNA)
where:
Base-Base interactions energy: -1220.261
where: short stacking energy: -488.338
Base-Backbone interact. energy: -2.969
local terms energy: -574.271124
where:
bonds (distance) C4'-P energy: -102.070
bonds (distance) P-C4' energy: -122.145
flat angles C4'-P-C4' energy: -125.267
flat angles P-C4'-P energy: -86.479
tors. eta vs tors. theta energy: -138.310
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: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1763.299778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.299778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.299778 (E_RNA)
where:
Base-Base interactions energy: -1206.247
where: short stacking energy: -488.780
Base-Backbone interact. energy: 0.836
local terms energy: -557.888593
where:
bonds (distance) C4'-P energy: -111.319
bonds (distance) P-C4' energy: -109.900
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -80.463
tors. eta vs tors. theta energy: -137.230
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: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1400.136646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.136646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.136646 (E_RNA)
where:
Base-Base interactions energy: -872.379
where: short stacking energy: -381.247
Base-Backbone interact. energy: -1.653
local terms energy: -526.104735
where:
bonds (distance) C4'-P energy: -113.310
bonds (distance) P-C4' energy: -120.552
flat angles C4'-P-C4' energy: -119.643
flat angles P-C4'-P energy: -77.678
tors. eta vs tors. theta energy: -94.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1154.929056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.929056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.929056 (E_RNA)
where:
Base-Base interactions energy: -703.440
where: short stacking energy: -302.367
Base-Backbone interact. energy: 0.634
local terms energy: -452.123623
where:
bonds (distance) C4'-P energy: -106.750
bonds (distance) P-C4' energy: -109.539
flat angles C4'-P-C4' energy: -117.606
flat angles P-C4'-P energy: -70.875
tors. eta vs tors. theta energy: -47.354
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: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1103.353979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.353979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.353979 (E_RNA)
where:
Base-Base interactions energy: -674.838
where: short stacking energy: -288.299
Base-Backbone interact. energy: -1.668
local terms energy: -426.848777
where:
bonds (distance) C4'-P energy: -117.240
bonds (distance) P-C4' energy: -99.008
flat angles C4'-P-C4' energy: -97.553
flat angles P-C4'-P energy: -68.012
tors. eta vs tors. theta energy: -45.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -717.674182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.674182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.674182 (E_RNA)
where:
Base-Base interactions energy: -366.296
where: short stacking energy: -200.353
Base-Backbone interact. energy: 2.561
local terms energy: -353.939060
where:
bonds (distance) C4'-P energy: -95.072
bonds (distance) P-C4' energy: -104.934
flat angles C4'-P-C4' energy: -84.937
flat angles P-C4'-P energy: -57.570
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -464.804045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.804045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.804045 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -102.077
Base-Backbone interact. energy: 3.582
local terms energy: -312.359211
where:
bonds (distance) C4'-P energy: -106.963
bonds (distance) P-C4' energy: -121.270
flat angles C4'-P-C4' energy: -71.879
flat angles P-C4'-P energy: -45.270
tors. eta vs tors. theta energy: 33.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2163.459835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.459835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.459835 (E_RNA)
where:
Base-Base interactions energy: -1524.407
where: short stacking energy: -588.103
Base-Backbone interact. energy: 0.192
local terms energy: -639.244180
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -117.340
flat angles C4'-P-C4' energy: -133.811
flat angles P-C4'-P energy: -105.469
tors. eta vs tors. theta energy: -162.674
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: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2040.912467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.912467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.912467 (E_RNA)
where:
Base-Base interactions energy: -1421.140
where: short stacking energy: -585.984
Base-Backbone interact. energy: -4.757
local terms energy: -615.015942
where:
bonds (distance) C4'-P energy: -113.637
bonds (distance) P-C4' energy: -116.785
flat angles C4'-P-C4' energy: -127.772
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -171.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1968.669902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.669902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.669902 (E_RNA)
where:
Base-Base interactions energy: -1317.141
where: short stacking energy: -572.275
Base-Backbone interact. energy: 0.118
local terms energy: -651.646674
where:
bonds (distance) C4'-P energy: -124.178
bonds (distance) P-C4' energy: -116.766
flat angles C4'-P-C4' energy: -138.370
flat angles P-C4'-P energy: -90.181
tors. eta vs tors. theta energy: -182.152
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: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1800.465268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.465268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.465268 (E_RNA)
where:
Base-Base interactions energy: -1249.110
where: short stacking energy: -509.118
Base-Backbone interact. energy: -2.406
local terms energy: -548.949543
where:
bonds (distance) C4'-P energy: -103.469
bonds (distance) P-C4' energy: -104.898
flat angles C4'-P-C4' energy: -117.974
flat angles P-C4'-P energy: -81.464
tors. eta vs tors. theta energy: -141.146
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: 105
Temperature: 1.100000
Total energy: -1734.756763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.756763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.756763 (E_RNA)
where:
Base-Base interactions energy: -1162.118
where: short stacking energy: -462.968
Base-Backbone interact. energy: -0.579
local terms energy: -572.059894
where:
bonds (distance) C4'-P energy: -118.093
bonds (distance) P-C4' energy: -109.217
flat angles C4'-P-C4' energy: -117.977
flat angles P-C4'-P energy: -87.889
tors. eta vs tors. theta energy: -138.883
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: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1342.013213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.013213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.013213 (E_RNA)
where:
Base-Base interactions energy: -811.553
where: short stacking energy: -384.964
Base-Backbone interact. energy: 0.179
local terms energy: -530.639023
where:
bonds (distance) C4'-P energy: -112.484
bonds (distance) P-C4' energy: -107.446
flat angles C4'-P-C4' energy: -127.503
flat angles P-C4'-P energy: -78.088
tors. eta vs tors. theta energy: -105.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1179.696286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.696286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.696286 (E_RNA)
where:
Base-Base interactions energy: -693.519
where: short stacking energy: -313.328
Base-Backbone interact. energy: -2.801
local terms energy: -483.376728
where:
bonds (distance) C4'-P energy: -112.580
bonds (distance) P-C4' energy: -120.236
flat angles C4'-P-C4' energy: -107.458
flat angles P-C4'-P energy: -84.905
tors. eta vs tors. theta energy: -58.198
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: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1145.537265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.537265 (E_RNA)
where:
Base-Base interactions energy: -734.482
where: short stacking energy: -330.969
Base-Backbone interact. energy: 1.670
local terms energy: -412.724757
where:
bonds (distance) C4'-P energy: -96.354
bonds (distance) P-C4' energy: -91.063
flat angles C4'-P-C4' energy: -88.893
flat angles P-C4'-P energy: -65.135
tors. eta vs tors. theta energy: -71.280
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -743.722208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.722208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.722208 (E_RNA)
where:
Base-Base interactions energy: -384.162
where: short stacking energy: -223.110
Base-Backbone interact. energy: 1.895
local terms energy: -361.455425
where:
bonds (distance) C4'-P energy: -68.614
bonds (distance) P-C4' energy: -108.211
flat angles C4'-P-C4' energy: -99.557
flat angles P-C4'-P energy: -58.090
tors. eta vs tors. theta energy: -26.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -543.889666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.889666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.889666 (E_RNA)
where:
Base-Base interactions energy: -204.399
where: short stacking energy: -115.540
Base-Backbone interact. energy: 1.281
local terms energy: -340.771541
where:
bonds (distance) C4'-P energy: -114.466
bonds (distance) P-C4' energy: -110.186
flat angles C4'-P-C4' energy: -90.419
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: 13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2179.888999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.888999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.888999 (E_RNA)
where:
Base-Base interactions energy: -1501.348
where: short stacking energy: -599.495
Base-Backbone interact. energy: -2.885
local terms energy: -675.656015
where:
bonds (distance) C4'-P energy: -130.394
bonds (distance) P-C4' energy: -131.760
flat angles C4'-P-C4' energy: -144.569
flat angles P-C4'-P energy: -96.849
tors. eta vs tors. theta energy: -172.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2032.264882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.264882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.264882 (E_RNA)
where:
Base-Base interactions energy: -1383.830
where: short stacking energy: -582.819
Base-Backbone interact. energy: -0.984
local terms energy: -647.450651
where:
bonds (distance) C4'-P energy: -113.231
bonds (distance) P-C4' energy: -122.791
flat angles C4'-P-C4' energy: -138.749
flat angles P-C4'-P energy: -98.882
tors. eta vs tors. theta energy: -173.798
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: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1946.283373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.283373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.283373 (E_RNA)
where:
Base-Base interactions energy: -1331.392
where: short stacking energy: -559.677
Base-Backbone interact. energy: -3.893
local terms energy: -610.998629
where:
bonds (distance) C4'-P energy: -100.480
bonds (distance) P-C4' energy: -119.901
flat angles C4'-P-C4' energy: -139.652
flat angles P-C4'-P energy: -82.200
tors. eta vs tors. theta energy: -168.766
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: 106
Temperature: 1.050000
Total energy: -1785.831214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.831214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.831214 (E_RNA)
where:
Base-Base interactions energy: -1197.138
where: short stacking energy: -495.862
Base-Backbone interact. energy: -2.078
local terms energy: -586.614822
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -116.631
flat angles C4'-P-C4' energy: -128.454
flat angles P-C4'-P energy: -92.212
tors. eta vs tors. theta energy: -145.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1780.027509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.027509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.027509 (E_RNA)
where:
Base-Base interactions energy: -1190.780
where: short stacking energy: -475.765
Base-Backbone interact. energy: -1.340
local terms energy: -587.907935
where:
bonds (distance) C4'-P energy: -117.659
bonds (distance) P-C4' energy: -117.524
flat angles C4'-P-C4' energy: -119.596
flat angles P-C4'-P energy: -97.760
tors. eta vs tors. theta energy: -135.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1365.395112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.395112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.395112 (E_RNA)
where:
Base-Base interactions energy: -866.105
where: short stacking energy: -420.149
Base-Backbone interact. energy: -1.417
local terms energy: -497.872628
where:
bonds (distance) C4'-P energy: -108.271
bonds (distance) P-C4' energy: -98.493
flat angles C4'-P-C4' energy: -114.412
flat angles P-C4'-P energy: -61.097
tors. eta vs tors. theta energy: -115.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1189.216314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.216314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.216314 (E_RNA)
where:
Base-Base interactions energy: -717.808
where: short stacking energy: -338.975
Base-Backbone interact. energy: 2.888
local terms energy: -474.296149
where:
bonds (distance) C4'-P energy: -110.022
bonds (distance) P-C4' energy: -114.821
flat angles C4'-P-C4' energy: -97.578
flat angles P-C4'-P energy: -73.977
tors. eta vs tors. theta energy: -77.898
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: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1175.227604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.227604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.227604 (E_RNA)
where:
Base-Base interactions energy: -737.319
where: short stacking energy: -303.456
Base-Backbone interact. energy: -1.114
local terms energy: -436.794566
where:
bonds (distance) C4'-P energy: -101.700
bonds (distance) P-C4' energy: -110.271
flat angles C4'-P-C4' energy: -94.723
flat angles P-C4'-P energy: -73.464
tors. eta vs tors. theta energy: -56.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -734.513950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.513950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.513950 (E_RNA)
where:
Base-Base interactions energy: -376.717
where: short stacking energy: -192.518
Base-Backbone interact. energy: -1.971
local terms energy: -355.825816
where:
bonds (distance) C4'-P energy: -97.919
bonds (distance) P-C4' energy: -102.016
flat angles C4'-P-C4' energy: -72.398
flat angles P-C4'-P energy: -70.407
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -459.924104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.924104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.924104 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -125.028
Base-Backbone interact. energy: 1.539
local terms energy: -299.864839
where:
bonds (distance) C4'-P energy: -96.127
bonds (distance) P-C4' energy: -89.391
flat angles C4'-P-C4' energy: -88.541
flat angles P-C4'-P energy: -50.402
tors. eta vs tors. theta energy: 24.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2195.042030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.042030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.042030 (E_RNA)
where:
Base-Base interactions energy: -1534.595
where: short stacking energy: -597.414
Base-Backbone interact. energy: -0.427
local terms energy: -660.020412
where:
bonds (distance) C4'-P energy: -128.219
bonds (distance) P-C4' energy: -126.972
flat angles C4'-P-C4' energy: -140.312
flat angles P-C4'-P energy: -96.552
tors. eta vs tors. theta energy: -167.965
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: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2067.655881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.655881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.655881 (E_RNA)
where:
Base-Base interactions energy: -1415.448
where: short stacking energy: -583.798
Base-Backbone interact. energy: -1.895
local terms energy: -650.313646
where:
bonds (distance) C4'-P energy: -113.577
bonds (distance) P-C4' energy: -124.850
flat angles C4'-P-C4' energy: -136.463
flat angles P-C4'-P energy: -91.288
tors. eta vs tors. theta energy: -184.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1906.701805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.701805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.701805 (E_RNA)
where:
Base-Base interactions energy: -1287.520
where: short stacking energy: -539.530
Base-Backbone interact. energy: -3.584
local terms energy: -615.597376
where:
bonds (distance) C4'-P energy: -122.933
bonds (distance) P-C4' energy: -119.536
flat angles C4'-P-C4' energy: -123.710
flat angles P-C4'-P energy: -89.872
tors. eta vs tors. theta energy: -159.547
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: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1760.142680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.142680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.142680 (E_RNA)
where:
Base-Base interactions energy: -1193.925
where: short stacking energy: -472.834
Base-Backbone interact. energy: -3.012
local terms energy: -563.205152
where:
bonds (distance) C4'-P energy: -101.805
bonds (distance) P-C4' energy: -127.420
flat angles C4'-P-C4' energy: -131.299
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -126.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1772.797901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.797901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.797901 (E_RNA)
where:
Base-Base interactions energy: -1210.372
where: short stacking energy: -533.929
Base-Backbone interact. energy: -1.701
local terms energy: -560.725113
where:
bonds (distance) C4'-P energy: -92.359
bonds (distance) P-C4' energy: -105.066
flat angles C4'-P-C4' energy: -126.895
flat angles P-C4'-P energy: -79.885
tors. eta vs tors. theta energy: -156.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1382.888048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.888048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.888048 (E_RNA)
where:
Base-Base interactions energy: -876.929
where: short stacking energy: -406.318
Base-Backbone interact. energy: -0.977
local terms energy: -504.981460
where:
bonds (distance) C4'-P energy: -108.087
bonds (distance) P-C4' energy: -93.781
flat angles C4'-P-C4' energy: -110.981
flat angles P-C4'-P energy: -71.022
tors. eta vs tors. theta energy: -121.112
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: 107
Temperature: 1.200000
Total energy: -1207.776344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.776344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.776344 (E_RNA)
where:
Base-Base interactions energy: -736.575
where: short stacking energy: -314.671
Base-Backbone interact. energy: 2.170
local terms energy: -473.371451
where:
bonds (distance) C4'-P energy: -136.592
bonds (distance) P-C4' energy: -93.731
flat angles C4'-P-C4' energy: -108.841
flat angles P-C4'-P energy: -58.045
tors. eta vs tors. theta energy: -76.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1164.802233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.802233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.802233 (E_RNA)
where:
Base-Base interactions energy: -709.512
where: short stacking energy: -296.155
Base-Backbone interact. energy: 0.290
local terms energy: -455.580513
where:
bonds (distance) C4'-P energy: -120.277
bonds (distance) P-C4' energy: -118.524
flat angles C4'-P-C4' energy: -88.058
flat angles P-C4'-P energy: -60.918
tors. eta vs tors. theta energy: -67.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -726.183834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.183834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.183834 (E_RNA)
where:
Base-Base interactions energy: -353.347
where: short stacking energy: -200.364
Base-Backbone interact. energy: -1.300
local terms energy: -371.537559
where:
bonds (distance) C4'-P energy: -105.573
bonds (distance) P-C4' energy: -103.977
flat angles C4'-P-C4' energy: -98.339
flat angles P-C4'-P energy: -62.964
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: 107
Temperature: 1.350000
Total energy: -454.596573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.596573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.596573 (E_RNA)
where:
Base-Base interactions energy: -152.274
where: short stacking energy: -95.384
Base-Backbone interact. energy: 0.957
local terms energy: -303.279325
where:
bonds (distance) C4'-P energy: -98.684
bonds (distance) P-C4' energy: -100.821
flat angles C4'-P-C4' energy: -84.606
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: 29.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2196.583540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.583540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.583540 (E_RNA)
where:
Base-Base interactions energy: -1545.413
where: short stacking energy: -584.186
Base-Backbone interact. energy: -4.248
local terms energy: -646.922532
where:
bonds (distance) C4'-P energy: -119.523
bonds (distance) P-C4' energy: -122.829
flat angles C4'-P-C4' energy: -141.162
flat angles P-C4'-P energy: -92.620
tors. eta vs tors. theta energy: -170.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2064.729274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.729274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.729274 (E_RNA)
where:
Base-Base interactions energy: -1424.584
where: short stacking energy: -605.999
Base-Backbone interact. energy: -0.961
local terms energy: -639.184188
where:
bonds (distance) C4'-P energy: -118.515
bonds (distance) P-C4' energy: -111.922
flat angles C4'-P-C4' energy: -136.036
flat angles P-C4'-P energy: -92.448
tors. eta vs tors. theta energy: -180.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1900.404003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.404003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.404003 (E_RNA)
where:
Base-Base interactions energy: -1283.451
where: short stacking energy: -526.060
Base-Backbone interact. energy: 2.188
local terms energy: -619.140202
where:
bonds (distance) C4'-P energy: -117.895
bonds (distance) P-C4' energy: -121.321
flat angles C4'-P-C4' energy: -137.025
flat angles P-C4'-P energy: -87.611
tors. eta vs tors. theta energy: -155.289
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1822.254465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.254465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.254465 (E_RNA)
where:
Base-Base interactions energy: -1214.227
where: short stacking energy: -524.872
Base-Backbone interact. energy: -2.506
local terms energy: -605.521931
where:
bonds (distance) C4'-P energy: -112.542
bonds (distance) P-C4' energy: -119.380
flat angles C4'-P-C4' energy: -126.898
flat angles P-C4'-P energy: -99.390
tors. eta vs tors. theta energy: -147.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1712.063188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.063188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.063188 (E_RNA)
where:
Base-Base interactions energy: -1136.190
where: short stacking energy: -501.260
Base-Backbone interact. energy: -0.736
local terms energy: -575.137163
where:
bonds (distance) C4'-P energy: -91.069
bonds (distance) P-C4' energy: -107.949
flat angles C4'-P-C4' energy: -126.980
flat angles P-C4'-P energy: -100.520
tors. eta vs tors. theta energy: -148.619
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: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1383.999521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.999521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.999521 (E_RNA)
where:
Base-Base interactions energy: -846.978
where: short stacking energy: -392.426
Base-Backbone interact. energy: 0.556
local terms energy: -537.577958
where:
bonds (distance) C4'-P energy: -126.281
bonds (distance) P-C4' energy: -119.274
flat angles C4'-P-C4' energy: -107.273
flat angles P-C4'-P energy: -79.694
tors. eta vs tors. theta energy: -105.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1263.703066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.703066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.703066 (E_RNA)
where:
Base-Base interactions energy: -768.713
where: short stacking energy: -347.277
Base-Backbone interact. energy: -1.628
local terms energy: -493.361759
where:
bonds (distance) C4'-P energy: -104.333
bonds (distance) P-C4' energy: -130.496
flat angles C4'-P-C4' energy: -115.587
flat angles P-C4'-P energy: -66.363
tors. eta vs tors. theta energy: -76.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1088.382354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.382354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.382354 (E_RNA)
where:
Base-Base interactions energy: -652.129
where: short stacking energy: -322.690
Base-Backbone interact. energy: 2.183
local terms energy: -438.435966
where:
bonds (distance) C4'-P energy: -106.036
bonds (distance) P-C4' energy: -99.938
flat angles C4'-P-C4' energy: -108.570
flat angles P-C4'-P energy: -63.677
tors. eta vs tors. theta energy: -60.214
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: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -757.763296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.763296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.763296 (E_RNA)
where:
Base-Base interactions energy: -344.568
where: short stacking energy: -189.621
Base-Backbone interact. energy: 0.791
local terms energy: -413.986713
where:
bonds (distance) C4'-P energy: -106.855
bonds (distance) P-C4' energy: -121.964
flat angles C4'-P-C4' energy: -81.823
flat angles P-C4'-P energy: -76.247
tors. eta vs tors. theta energy: -27.098
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: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -447.781067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.781067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.781067 (E_RNA)
where:
Base-Base interactions energy: -130.763
where: short stacking energy: -99.704
Base-Backbone interact. energy: -2.217
local terms energy: -314.800434
where:
bonds (distance) C4'-P energy: -83.641
bonds (distance) P-C4' energy: -125.028
flat angles C4'-P-C4' energy: -108.724
flat angles P-C4'-P energy: -34.006
tors. eta vs tors. theta energy: 36.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2142.297088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.297088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.297088 (E_RNA)
where:
Base-Base interactions energy: -1491.917
where: short stacking energy: -589.139
Base-Backbone interact. energy: -3.418
local terms energy: -646.961546
where:
bonds (distance) C4'-P energy: -128.802
bonds (distance) P-C4' energy: -116.072
flat angles C4'-P-C4' energy: -146.320
flat angles P-C4'-P energy: -90.892
tors. eta vs tors. theta energy: -164.876
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: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2060.533741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.533741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.533741 (E_RNA)
where:
Base-Base interactions energy: -1432.256
where: short stacking energy: -585.447
Base-Backbone interact. energy: -1.969
local terms energy: -626.309026
where:
bonds (distance) C4'-P energy: -113.795
bonds (distance) P-C4' energy: -121.320
flat angles C4'-P-C4' energy: -144.906
flat angles P-C4'-P energy: -75.210
tors. eta vs tors. theta energy: -171.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1919.326466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.326466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.326466 (E_RNA)
where:
Base-Base interactions energy: -1286.891
where: short stacking energy: -546.405
Base-Backbone interact. energy: -3.268
local terms energy: -629.166942
where:
bonds (distance) C4'-P energy: -118.557
bonds (distance) P-C4' energy: -108.012
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -98.026
tors. eta vs tors. theta energy: -165.811
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1810.735066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.735066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.735066 (E_RNA)
where:
Base-Base interactions energy: -1203.219
where: short stacking energy: -501.403
Base-Backbone interact. energy: -2.635
local terms energy: -604.881027
where:
bonds (distance) C4'-P energy: -98.045
bonds (distance) P-C4' energy: -132.078
flat angles C4'-P-C4' energy: -140.122
flat angles P-C4'-P energy: -69.098
tors. eta vs tors. theta energy: -165.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1703.625325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.625325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.625325 (E_RNA)
where:
Base-Base interactions energy: -1163.552
where: short stacking energy: -460.747
Base-Backbone interact. energy: 2.036
local terms energy: -542.109691
where:
bonds (distance) C4'-P energy: -110.732
bonds (distance) P-C4' energy: -107.984
flat angles C4'-P-C4' energy: -110.582
flat angles P-C4'-P energy: -89.549
tors. eta vs tors. theta energy: -123.263
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: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1370.575123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.575123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.575123 (E_RNA)
where:
Base-Base interactions energy: -864.143
where: short stacking energy: -400.646
Base-Backbone interact. energy: -2.027
local terms energy: -504.405234
where:
bonds (distance) C4'-P energy: -104.363
bonds (distance) P-C4' energy: -103.806
flat angles C4'-P-C4' energy: -121.438
flat angles P-C4'-P energy: -71.901
tors. eta vs tors. theta energy: -102.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1278.161296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.161296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.161296 (E_RNA)
where:
Base-Base interactions energy: -796.096
where: short stacking energy: -353.599
Base-Backbone interact. energy: -2.323
local terms energy: -479.741631
where:
bonds (distance) C4'-P energy: -100.538
bonds (distance) P-C4' energy: -100.798
flat angles C4'-P-C4' energy: -117.714
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -87.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1122.451731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.451731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.451731 (E_RNA)
where:
Base-Base interactions energy: -659.882
where: short stacking energy: -292.220
Base-Backbone interact. energy: -0.869
local terms energy: -461.700484
where:
bonds (distance) C4'-P energy: -109.540
bonds (distance) P-C4' energy: -104.619
flat angles C4'-P-C4' energy: -110.017
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -75.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -752.906673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.906673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.906673 (E_RNA)
where:
Base-Base interactions energy: -361.084
where: short stacking energy: -213.473
Base-Backbone interact. energy: 0.093
local terms energy: -391.916102
where:
bonds (distance) C4'-P energy: -86.028
bonds (distance) P-C4' energy: -100.839
flat angles C4'-P-C4' energy: -108.254
flat angles P-C4'-P energy: -62.373
tors. eta vs tors. theta energy: -34.422
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: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -435.407290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.407290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.407290 (E_RNA)
where:
Base-Base interactions energy: -112.928
where: short stacking energy: -101.183
Base-Backbone interact. energy: -0.336
local terms energy: -322.143819
where:
bonds (distance) C4'-P energy: -101.695
bonds (distance) P-C4' energy: -105.819
flat angles C4'-P-C4' energy: -83.120
flat angles P-C4'-P energy: -58.654
tors. eta vs tors. theta energy: 27.145
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: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2150.525549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.525549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.525549 (E_RNA)
where:
Base-Base interactions energy: -1504.839
where: short stacking energy: -568.962
Base-Backbone interact. energy: 0.478
local terms energy: -646.164522
where:
bonds (distance) C4'-P energy: -126.655
bonds (distance) P-C4' energy: -129.336
flat angles C4'-P-C4' energy: -140.821
flat angles P-C4'-P energy: -82.792
tors. eta vs tors. theta energy: -166.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2093.729006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.729006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.729006 (E_RNA)
where:
Base-Base interactions energy: -1417.424
where: short stacking energy: -588.292
Base-Backbone interact. energy: -3.678
local terms energy: -672.626272
where:
bonds (distance) C4'-P energy: -127.410
bonds (distance) P-C4' energy: -114.444
flat angles C4'-P-C4' energy: -148.024
flat angles P-C4'-P energy: -95.928
tors. eta vs tors. theta energy: -186.821
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: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1853.516566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.516566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.516566 (E_RNA)
where:
Base-Base interactions energy: -1224.635
where: short stacking energy: -516.230
Base-Backbone interact. energy: -2.263
local terms energy: -626.618586
where:
bonds (distance) C4'-P energy: -128.275
bonds (distance) P-C4' energy: -125.689
flat angles C4'-P-C4' energy: -130.524
flat angles P-C4'-P energy: -91.895
tors. eta vs tors. theta energy: -150.236
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: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1846.968799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.968799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.968799 (E_RNA)
where:
Base-Base interactions energy: -1243.783
where: short stacking energy: -551.055
Base-Backbone interact. energy: 4.040
local terms energy: -607.225537
where:
bonds (distance) C4'-P energy: -109.782
bonds (distance) P-C4' energy: -121.285
flat angles C4'-P-C4' energy: -119.977
flat angles P-C4'-P energy: -87.089
tors. eta vs tors. theta energy: -169.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1710.162974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.162974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.162974 (E_RNA)
where:
Base-Base interactions energy: -1151.320
where: short stacking energy: -450.222
Base-Backbone interact. energy: -1.228
local terms energy: -557.614888
where:
bonds (distance) C4'-P energy: -103.500
bonds (distance) P-C4' energy: -121.496
flat angles C4'-P-C4' energy: -124.893
flat angles P-C4'-P energy: -80.893
tors. eta vs tors. theta energy: -126.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1345.837756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.837756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.837756 (E_RNA)
where:
Base-Base interactions energy: -835.368
where: short stacking energy: -380.183
Base-Backbone interact. energy: -2.398
local terms energy: -508.071777
where:
bonds (distance) C4'-P energy: -90.496
bonds (distance) P-C4' energy: -111.935
flat angles C4'-P-C4' energy: -126.672
flat angles P-C4'-P energy: -68.180
tors. eta vs tors. theta energy: -110.789
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: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1240.433905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.433905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.433905 (E_RNA)
where:
Base-Base interactions energy: -779.927
where: short stacking energy: -354.885
Base-Backbone interact. energy: 2.368
local terms energy: -462.875290
where:
bonds (distance) C4'-P energy: -106.688
bonds (distance) P-C4' energy: -117.783
flat angles C4'-P-C4' energy: -110.128
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -75.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1112.047195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.047195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.047195 (E_RNA)
where:
Base-Base interactions energy: -663.517
where: short stacking energy: -312.183
Base-Backbone interact. energy: -1.261
local terms energy: -447.268465
where:
bonds (distance) C4'-P energy: -96.710
bonds (distance) P-C4' energy: -101.962
flat angles C4'-P-C4' energy: -102.872
flat angles P-C4'-P energy: -77.644
tors. eta vs tors. theta energy: -68.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -738.318629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.318629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.318629 (E_RNA)
where:
Base-Base interactions energy: -377.759
where: short stacking energy: -216.208
Base-Backbone interact. energy: -0.897
local terms energy: -359.663134
where:
bonds (distance) C4'-P energy: -94.428
bonds (distance) P-C4' energy: -105.720
flat angles C4'-P-C4' energy: -83.139
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -460.871197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.871197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.871197 (E_RNA)
where:
Base-Base interactions energy: -133.077
where: short stacking energy: -117.431
Base-Backbone interact. energy: 2.903
local terms energy: -330.697213
where:
bonds (distance) C4'-P energy: -112.876
bonds (distance) P-C4' energy: -116.146
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -59.824
tors. eta vs tors. theta energy: 27.189
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: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2185.725452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.725452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.725452 (E_RNA)
where:
Base-Base interactions energy: -1531.369
where: short stacking energy: -561.290
Base-Backbone interact. energy: -7.710
local terms energy: -646.646323
where:
bonds (distance) C4'-P energy: -134.023
bonds (distance) P-C4' energy: -131.268
flat angles C4'-P-C4' energy: -145.844
flat angles P-C4'-P energy: -79.571
tors. eta vs tors. theta energy: -155.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2075.136044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.136044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.136044 (E_RNA)
where:
Base-Base interactions energy: -1408.939
where: short stacking energy: -577.459
Base-Backbone interact. energy: -3.872
local terms energy: -662.324760
where:
bonds (distance) C4'-P energy: -110.889
bonds (distance) P-C4' energy: -127.523
flat angles C4'-P-C4' energy: -153.776
flat angles P-C4'-P energy: -97.240
tors. eta vs tors. theta energy: -172.897
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: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1916.188441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.188441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.188441 (E_RNA)
where:
Base-Base interactions energy: -1271.378
where: short stacking energy: -533.955
Base-Backbone interact. energy: -1.706
local terms energy: -643.104570
where:
bonds (distance) C4'-P energy: -137.269
bonds (distance) P-C4' energy: -128.467
flat angles C4'-P-C4' energy: -135.501
flat angles P-C4'-P energy: -88.066
tors. eta vs tors. theta energy: -153.802
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1751.024841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.024841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.024841 (E_RNA)
where:
Base-Base interactions energy: -1171.671
where: short stacking energy: -477.672
Base-Backbone interact. energy: -0.781
local terms energy: -578.572477
where:
bonds (distance) C4'-P energy: -114.825
bonds (distance) P-C4' energy: -110.071
flat angles C4'-P-C4' energy: -131.063
flat angles P-C4'-P energy: -86.397
tors. eta vs tors. theta energy: -136.216
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: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1761.119814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.119814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.119814 (E_RNA)
where:
Base-Base interactions energy: -1164.841
where: short stacking energy: -533.225
Base-Backbone interact. energy: -2.281
local terms energy: -593.997643
where:
bonds (distance) C4'-P energy: -106.579
bonds (distance) P-C4' energy: -130.248
flat angles C4'-P-C4' energy: -123.198
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -158.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1327.067614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.067614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.067614 (E_RNA)
where:
Base-Base interactions energy: -846.817
where: short stacking energy: -378.793
Base-Backbone interact. energy: -2.516
local terms energy: -477.734319
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -106.376
flat angles C4'-P-C4' energy: -105.327
flat angles P-C4'-P energy: -69.806
tors. eta vs tors. theta energy: -100.630
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: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1295.490051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.490051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.490051 (E_RNA)
where:
Base-Base interactions energy: -818.420
where: short stacking energy: -357.249
Base-Backbone interact. energy: -3.330
local terms energy: -473.740358
where:
bonds (distance) C4'-P energy: -97.142
bonds (distance) P-C4' energy: -104.599
flat angles C4'-P-C4' energy: -116.227
flat angles P-C4'-P energy: -62.748
tors. eta vs tors. theta energy: -93.024
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: 111
Temperature: 1.250000
Total energy: -1090.919406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.919406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.919406 (E_RNA)
where:
Base-Base interactions energy: -654.592
where: short stacking energy: -326.678
Base-Backbone interact. energy: 0.246
local terms energy: -436.573443
where:
bonds (distance) C4'-P energy: -88.247
bonds (distance) P-C4' energy: -102.826
flat angles C4'-P-C4' energy: -113.021
flat angles P-C4'-P energy: -70.830
tors. eta vs tors. theta energy: -61.649
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -737.682953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.682953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.682953 (E_RNA)
where:
Base-Base interactions energy: -377.293
where: short stacking energy: -205.293
Base-Backbone interact. energy: -1.959
local terms energy: -358.430310
where:
bonds (distance) C4'-P energy: -103.954
bonds (distance) P-C4' energy: -91.756
flat angles C4'-P-C4' energy: -83.483
flat angles P-C4'-P energy: -60.950
tors. eta vs tors. theta energy: -18.288
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: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -480.666527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.666527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.666527 (E_RNA)
where:
Base-Base interactions energy: -163.586
where: short stacking energy: -134.095
Base-Backbone interact. energy: -0.963
local terms energy: -316.117404
where:
bonds (distance) C4'-P energy: -102.585
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -96.345
flat angles P-C4'-P energy: -47.702
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: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2203.101665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.101665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.101665 (E_RNA)
where:
Base-Base interactions energy: -1535.691
where: short stacking energy: -577.732
Base-Backbone interact. energy: -4.010
local terms energy: -663.400717
where:
bonds (distance) C4'-P energy: -123.389
bonds (distance) P-C4' energy: -131.422
flat angles C4'-P-C4' energy: -136.519
flat angles P-C4'-P energy: -92.281
tors. eta vs tors. theta energy: -179.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2034.132800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.132800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.132800 (E_RNA)
where:
Base-Base interactions energy: -1408.414
where: short stacking energy: -580.029
Base-Backbone interact. energy: -1.973
local terms energy: -623.745649
where:
bonds (distance) C4'-P energy: -118.895
bonds (distance) P-C4' energy: -116.902
flat angles C4'-P-C4' energy: -135.452
flat angles P-C4'-P energy: -82.185
tors. eta vs tors. theta energy: -170.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1895.990784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.990784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.990784 (E_RNA)
where:
Base-Base interactions energy: -1263.213
where: short stacking energy: -558.339
Base-Backbone interact. energy: -1.973
local terms energy: -630.805585
where:
bonds (distance) C4'-P energy: -122.000
bonds (distance) P-C4' energy: -116.327
flat angles C4'-P-C4' energy: -137.991
flat angles P-C4'-P energy: -84.542
tors. eta vs tors. theta energy: -169.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1751.666929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.666929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.666929 (E_RNA)
where:
Base-Base interactions energy: -1200.812
where: short stacking energy: -505.590
Base-Backbone interact. energy: -3.244
local terms energy: -547.611224
where:
bonds (distance) C4'-P energy: -112.397
bonds (distance) P-C4' energy: -108.820
flat angles C4'-P-C4' energy: -115.188
flat angles P-C4'-P energy: -81.036
tors. eta vs tors. theta energy: -130.169
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: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1713.402250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.402250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.402250 (E_RNA)
where:
Base-Base interactions energy: -1145.436
where: short stacking energy: -476.959
Base-Backbone interact. energy: -5.245
local terms energy: -562.720489
where:
bonds (distance) C4'-P energy: -115.979
bonds (distance) P-C4' energy: -110.155
flat angles C4'-P-C4' energy: -119.295
flat angles P-C4'-P energy: -79.101
tors. eta vs tors. theta energy: -138.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1347.746859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.746859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.746859 (E_RNA)
where:
Base-Base interactions energy: -860.378
where: short stacking energy: -392.306
Base-Backbone interact. energy: 2.393
local terms energy: -489.761331
where:
bonds (distance) C4'-P energy: -93.995
bonds (distance) P-C4' energy: -103.665
flat angles C4'-P-C4' energy: -117.598
flat angles P-C4'-P energy: -67.331
tors. eta vs tors. theta energy: -107.172
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1257.772826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.772826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.772826 (E_RNA)
where:
Base-Base interactions energy: -784.349
where: short stacking energy: -329.056
Base-Backbone interact. energy: -3.648
local terms energy: -469.775211
where:
bonds (distance) C4'-P energy: -104.803
bonds (distance) P-C4' energy: -110.045
flat angles C4'-P-C4' energy: -99.013
flat angles P-C4'-P energy: -81.669
tors. eta vs tors. theta energy: -74.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1091.604410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.604410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.604410 (E_RNA)
where:
Base-Base interactions energy: -664.022
where: short stacking energy: -330.959
Base-Backbone interact. energy: 0.415
local terms energy: -427.996985
where:
bonds (distance) C4'-P energy: -114.078
bonds (distance) P-C4' energy: -79.978
flat angles C4'-P-C4' energy: -105.254
flat angles P-C4'-P energy: -65.382
tors. eta vs tors. theta energy: -63.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -714.472467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.472467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.472467 (E_RNA)
where:
Base-Base interactions energy: -347.429
where: short stacking energy: -203.139
Base-Backbone interact. energy: 1.678
local terms energy: -368.721087
where:
bonds (distance) C4'-P energy: -110.122
bonds (distance) P-C4' energy: -89.286
flat angles C4'-P-C4' energy: -105.639
flat angles P-C4'-P energy: -59.073
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -490.461180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.461180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.461180 (E_RNA)
where:
Base-Base interactions energy: -173.448
where: short stacking energy: -109.034
Base-Backbone interact. energy: -0.727
local terms energy: -316.285890
where:
bonds (distance) C4'-P energy: -109.753
bonds (distance) P-C4' energy: -101.106
flat angles C4'-P-C4' energy: -102.104
flat angles P-C4'-P energy: -49.341
tors. eta vs tors. theta energy: 46.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2200.730249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.730249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.730249 (E_RNA)
where:
Base-Base interactions energy: -1551.382
where: short stacking energy: -587.646
Base-Backbone interact. energy: -5.469
local terms energy: -643.879483
where:
bonds (distance) C4'-P energy: -120.259
bonds (distance) P-C4' energy: -125.772
flat angles C4'-P-C4' energy: -133.775
flat angles P-C4'-P energy: -81.892
tors. eta vs tors. theta energy: -182.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2051.353221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.353221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.353221 (E_RNA)
where:
Base-Base interactions energy: -1417.835
where: short stacking energy: -592.575
Base-Backbone interact. energy: -1.553
local terms energy: -631.965707
where:
bonds (distance) C4'-P energy: -117.947
bonds (distance) P-C4' energy: -114.018
flat angles C4'-P-C4' energy: -147.643
flat angles P-C4'-P energy: -75.936
tors. eta vs tors. theta energy: -176.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1933.719228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.719228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.719228 (E_RNA)
where:
Base-Base interactions energy: -1279.713
where: short stacking energy: -565.810
Base-Backbone interact. energy: -2.029
local terms energy: -651.976903
where:
bonds (distance) C4'-P energy: -121.006
bonds (distance) P-C4' energy: -119.271
flat angles C4'-P-C4' energy: -137.510
flat angles P-C4'-P energy: -93.474
tors. eta vs tors. theta energy: -180.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1767.027683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.027683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.027683 (E_RNA)
where:
Base-Base interactions energy: -1171.133
where: short stacking energy: -497.347
Base-Backbone interact. energy: -3.223
local terms energy: -592.671775
where:
bonds (distance) C4'-P energy: -124.549
bonds (distance) P-C4' energy: -117.553
flat angles C4'-P-C4' energy: -131.643
flat angles P-C4'-P energy: -74.488
tors. eta vs tors. theta energy: -144.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1736.085735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.085735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.085735 (E_RNA)
where:
Base-Base interactions energy: -1178.883
where: short stacking energy: -491.190
Base-Backbone interact. energy: -3.175
local terms energy: -554.027335
where:
bonds (distance) C4'-P energy: -107.839
bonds (distance) P-C4' energy: -96.698
flat angles C4'-P-C4' energy: -127.170
flat angles P-C4'-P energy: -69.544
tors. eta vs tors. theta energy: -152.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1309.818495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.818495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.818495 (E_RNA)
where:
Base-Base interactions energy: -788.274
where: short stacking energy: -370.874
Base-Backbone interact. energy: -2.431
local terms energy: -519.113712
where:
bonds (distance) C4'-P energy: -115.201
bonds (distance) P-C4' energy: -111.254
flat angles C4'-P-C4' energy: -121.144
flat angles P-C4'-P energy: -81.303
tors. eta vs tors. theta energy: -90.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1206.777213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.777213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.777213 (E_RNA)
where:
Base-Base interactions energy: -735.009
where: short stacking energy: -364.124
Base-Backbone interact. energy: 1.416
local terms energy: -473.184715
where:
bonds (distance) C4'-P energy: -97.236
bonds (distance) P-C4' energy: -95.609
flat angles C4'-P-C4' energy: -127.469
flat angles P-C4'-P energy: -71.816
tors. eta vs tors. theta energy: -81.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1064.813093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.813093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.813093 (E_RNA)
where:
Base-Base interactions energy: -625.486
where: short stacking energy: -296.597
Base-Backbone interact. energy: -1.527
local terms energy: -437.800064
where:
bonds (distance) C4'-P energy: -98.306
bonds (distance) P-C4' energy: -113.395
flat angles C4'-P-C4' energy: -100.217
flat angles P-C4'-P energy: -73.528
tors. eta vs tors. theta energy: -52.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -737.405246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.405246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.405246 (E_RNA)
where:
Base-Base interactions energy: -374.276
where: short stacking energy: -208.253
Base-Backbone interact. energy: -0.706
local terms energy: -362.423311
where:
bonds (distance) C4'-P energy: -104.706
bonds (distance) P-C4' energy: -112.918
flat angles C4'-P-C4' energy: -106.610
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: 1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -453.707515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.707515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.707515 (E_RNA)
where:
Base-Base interactions energy: -126.348
where: short stacking energy: -108.144
Base-Backbone interact. energy: 1.101
local terms energy: -328.461078
where:
bonds (distance) C4'-P energy: -88.131
bonds (distance) P-C4' energy: -126.551
flat angles C4'-P-C4' energy: -90.951
flat angles P-C4'-P energy: -46.920
tors. eta vs tors. theta energy: 24.092
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: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2207.789513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.789513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.789513 (E_RNA)
where:
Base-Base interactions energy: -1564.890
where: short stacking energy: -603.266
Base-Backbone interact. energy: -4.153
local terms energy: -638.746793
where:
bonds (distance) C4'-P energy: -112.481
bonds (distance) P-C4' energy: -133.618
flat angles C4'-P-C4' energy: -124.234
flat angles P-C4'-P energy: -85.814
tors. eta vs tors. theta energy: -182.601
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: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2047.919378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.919378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.919378 (E_RNA)
where:
Base-Base interactions energy: -1402.946
where: short stacking energy: -571.237
Base-Backbone interact. energy: -2.723
local terms energy: -642.251072
where:
bonds (distance) C4'-P energy: -128.913
bonds (distance) P-C4' energy: -126.508
flat angles C4'-P-C4' energy: -131.624
flat angles P-C4'-P energy: -84.724
tors. eta vs tors. theta energy: -170.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1923.690037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.690037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.690037 (E_RNA)
where:
Base-Base interactions energy: -1286.787
where: short stacking energy: -539.269
Base-Backbone interact. energy: -1.737
local terms energy: -635.165616
where:
bonds (distance) C4'-P energy: -115.479
bonds (distance) P-C4' energy: -125.844
flat angles C4'-P-C4' energy: -137.370
flat angles P-C4'-P energy: -80.375
tors. eta vs tors. theta energy: -176.098
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: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1780.486267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.486267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.486267 (E_RNA)
where:
Base-Base interactions energy: -1222.352
where: short stacking energy: -495.064
Base-Backbone interact. energy: 1.497
local terms energy: -559.631846
where:
bonds (distance) C4'-P energy: -110.128
bonds (distance) P-C4' energy: -109.142
flat angles C4'-P-C4' energy: -121.589
flat angles P-C4'-P energy: -79.421
tors. eta vs tors. theta energy: -139.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1743.996227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.996227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.996227 (E_RNA)
where:
Base-Base interactions energy: -1164.583
where: short stacking energy: -472.955
Base-Backbone interact. energy: -2.034
local terms energy: -577.379121
where:
bonds (distance) C4'-P energy: -103.840
bonds (distance) P-C4' energy: -118.262
flat angles C4'-P-C4' energy: -125.851
flat angles P-C4'-P energy: -76.833
tors. eta vs tors. theta energy: -152.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1298.834632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.834632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.834632 (E_RNA)
where:
Base-Base interactions energy: -813.372
where: short stacking energy: -359.149
Base-Backbone interact. energy: -0.479
local terms energy: -484.983722
where:
bonds (distance) C4'-P energy: -92.340
bonds (distance) P-C4' energy: -130.574
flat angles C4'-P-C4' energy: -99.147
flat angles P-C4'-P energy: -70.908
tors. eta vs tors. theta energy: -92.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1093.005238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.005238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.005238 (E_RNA)
where:
Base-Base interactions energy: -653.840
where: short stacking energy: -309.730
Base-Backbone interact. energy: 0.798
local terms energy: -439.963156
where:
bonds (distance) C4'-P energy: -98.533
bonds (distance) P-C4' energy: -108.305
flat angles C4'-P-C4' energy: -108.627
flat angles P-C4'-P energy: -65.499
tors. eta vs tors. theta energy: -58.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1099.067736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.067736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.067736 (E_RNA)
where:
Base-Base interactions energy: -649.001
where: short stacking energy: -314.799
Base-Backbone interact. energy: 2.821
local terms energy: -452.888421
where:
bonds (distance) C4'-P energy: -96.498
bonds (distance) P-C4' energy: -103.227
flat angles C4'-P-C4' energy: -103.456
flat angles P-C4'-P energy: -75.202
tors. eta vs tors. theta energy: -74.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -787.691373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.691373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.691373 (E_RNA)
where:
Base-Base interactions energy: -393.513
where: short stacking energy: -213.371
Base-Backbone interact. energy: 1.369
local terms energy: -395.547294
where:
bonds (distance) C4'-P energy: -110.171
bonds (distance) P-C4' energy: -106.589
flat angles C4'-P-C4' energy: -95.572
flat angles P-C4'-P energy: -67.085
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -448.301420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.301420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.301420 (E_RNA)
where:
Base-Base interactions energy: -127.327
where: short stacking energy: -120.767
Base-Backbone interact. energy: 1.384
local terms energy: -322.358495
where:
bonds (distance) C4'-P energy: -102.646
bonds (distance) P-C4' energy: -111.483
flat angles C4'-P-C4' energy: -88.895
flat angles P-C4'-P energy: -47.262
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: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2210.997790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.997790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.997790 (E_RNA)
where:
Base-Base interactions energy: -1542.099
where: short stacking energy: -611.848
Base-Backbone interact. energy: -4.015
local terms energy: -664.884132
where:
bonds (distance) C4'-P energy: -121.345
bonds (distance) P-C4' energy: -121.430
flat angles C4'-P-C4' energy: -140.760
flat angles P-C4'-P energy: -98.040
tors. eta vs tors. theta energy: -183.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2077.819516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.819516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.819516 (E_RNA)
where:
Base-Base interactions energy: -1443.412
where: short stacking energy: -615.608
Base-Backbone interact. energy: 1.429
local terms energy: -635.836408
where:
bonds (distance) C4'-P energy: -121.077
bonds (distance) P-C4' energy: -107.811
flat angles C4'-P-C4' energy: -136.825
flat angles P-C4'-P energy: -79.093
tors. eta vs tors. theta energy: -191.030
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: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1968.397470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.397470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.397470 (E_RNA)
where:
Base-Base interactions energy: -1301.114
where: short stacking energy: -567.783
Base-Backbone interact. energy: -3.234
local terms energy: -664.049629
where:
bonds (distance) C4'-P energy: -127.393
bonds (distance) P-C4' energy: -126.099
flat angles C4'-P-C4' energy: -136.519
flat angles P-C4'-P energy: -97.069
tors. eta vs tors. theta energy: -176.969
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: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1815.769710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.769710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.769710 (E_RNA)
where:
Base-Base interactions energy: -1237.376
where: short stacking energy: -492.795
Base-Backbone interact. energy: -2.073
local terms energy: -576.321305
where:
bonds (distance) C4'-P energy: -109.853
bonds (distance) P-C4' energy: -102.586
flat angles C4'-P-C4' energy: -131.656
flat angles P-C4'-P energy: -86.665
tors. eta vs tors. theta energy: -145.561
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: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1720.152010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.152010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.152010 (E_RNA)
where:
Base-Base interactions energy: -1132.701
where: short stacking energy: -473.072
Base-Backbone interact. energy: 2.689
local terms energy: -590.140059
where:
bonds (distance) C4'-P energy: -106.419
bonds (distance) P-C4' energy: -127.608
flat angles C4'-P-C4' energy: -135.281
flat angles P-C4'-P energy: -74.956
tors. eta vs tors. theta energy: -145.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1310.373124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.373124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.373124 (E_RNA)
where:
Base-Base interactions energy: -807.562
where: short stacking energy: -367.360
Base-Backbone interact. energy: -1.061
local terms energy: -501.749982
where:
bonds (distance) C4'-P energy: -111.027
bonds (distance) P-C4' energy: -114.437
flat angles C4'-P-C4' energy: -126.142
flat angles P-C4'-P energy: -71.500
tors. eta vs tors. theta energy: -78.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1128.639122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.639122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.639122 (E_RNA)
where:
Base-Base interactions energy: -674.048
where: short stacking energy: -340.509
Base-Backbone interact. energy: 0.559
local terms energy: -455.149704
where:
bonds (distance) C4'-P energy: -116.207
bonds (distance) P-C4' energy: -108.879
flat angles C4'-P-C4' energy: -107.635
flat angles P-C4'-P energy: -65.167
tors. eta vs tors. theta energy: -57.262
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: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1057.734856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.734856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.734856 (E_RNA)
where:
Base-Base interactions energy: -572.579
where: short stacking energy: -250.164
Base-Backbone interact. energy: -4.190
local terms energy: -480.966019
where:
bonds (distance) C4'-P energy: -118.700
bonds (distance) P-C4' energy: -111.371
flat angles C4'-P-C4' energy: -125.832
flat angles P-C4'-P energy: -73.883
tors. eta vs tors. theta energy: -51.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -810.010439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.010439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.010439 (E_RNA)
where:
Base-Base interactions energy: -430.689
where: short stacking energy: -227.263
Base-Backbone interact. energy: -0.971
local terms energy: -378.350457
where:
bonds (distance) C4'-P energy: -109.817
bonds (distance) P-C4' energy: -107.729
flat angles C4'-P-C4' energy: -98.944
flat angles P-C4'-P energy: -49.806
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -451.671240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.671240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.671240 (E_RNA)
where:
Base-Base interactions energy: -176.756
where: short stacking energy: -132.579
Base-Backbone interact. energy: -1.972
local terms energy: -272.942726
where:
bonds (distance) C4'-P energy: -92.392
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -76.175
flat angles P-C4'-P energy: -36.678
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: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2220.443123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.443123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.443123 (E_RNA)
where:
Base-Base interactions energy: -1572.550
where: short stacking energy: -611.863
Base-Backbone interact. energy: -5.027
local terms energy: -642.865822
where:
bonds (distance) C4'-P energy: -111.551
bonds (distance) P-C4' energy: -120.945
flat angles C4'-P-C4' energy: -154.498
flat angles P-C4'-P energy: -86.014
tors. eta vs tors. theta energy: -169.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2059.267373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.267373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.267373 (E_RNA)
where:
Base-Base interactions energy: -1417.936
where: short stacking energy: -578.633
Base-Backbone interact. energy: 3.125
local terms energy: -644.457121
where:
bonds (distance) C4'-P energy: -133.144
bonds (distance) P-C4' energy: -113.642
flat angles C4'-P-C4' energy: -133.285
flat angles P-C4'-P energy: -84.531
tors. eta vs tors. theta energy: -179.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1949.734541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.734541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.734541 (E_RNA)
where:
Base-Base interactions energy: -1335.669
where: short stacking energy: -570.490
Base-Backbone interact. energy: -2.325
local terms energy: -611.740861
where:
bonds (distance) C4'-P energy: -112.232
bonds (distance) P-C4' energy: -118.831
flat angles C4'-P-C4' energy: -122.111
flat angles P-C4'-P energy: -90.301
tors. eta vs tors. theta energy: -168.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1829.166114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.166114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.166114 (E_RNA)
where:
Base-Base interactions energy: -1246.931
where: short stacking energy: -523.346
Base-Backbone interact. energy: 0.714
local terms energy: -582.949066
where:
bonds (distance) C4'-P energy: -108.253
bonds (distance) P-C4' energy: -99.175
flat angles C4'-P-C4' energy: -140.416
flat angles P-C4'-P energy: -85.599
tors. eta vs tors. theta energy: -149.505
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: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1759.657094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.657094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.657094 (E_RNA)
where:
Base-Base interactions energy: -1167.372
where: short stacking energy: -512.664
Base-Backbone interact. energy: 0.455
local terms energy: -592.739613
where:
bonds (distance) C4'-P energy: -118.875
bonds (distance) P-C4' energy: -108.109
flat angles C4'-P-C4' energy: -129.708
flat angles P-C4'-P energy: -73.132
tors. eta vs tors. theta energy: -162.915
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: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1400.062399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.062399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.062399 (E_RNA)
where:
Base-Base interactions energy: -891.821
where: short stacking energy: -362.058
Base-Backbone interact. energy: -1.288
local terms energy: -506.952937
where:
bonds (distance) C4'-P energy: -114.176
bonds (distance) P-C4' energy: -114.156
flat angles C4'-P-C4' energy: -117.762
flat angles P-C4'-P energy: -65.052
tors. eta vs tors. theta energy: -95.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1139.488119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.488119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.488119 (E_RNA)
where:
Base-Base interactions energy: -647.894
where: short stacking energy: -329.116
Base-Backbone interact. energy: 1.773
local terms energy: -493.367512
where:
bonds (distance) C4'-P energy: -109.702
bonds (distance) P-C4' energy: -114.391
flat angles C4'-P-C4' energy: -111.826
flat angles P-C4'-P energy: -79.102
tors. eta vs tors. theta energy: -78.346
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: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1053.345227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.345227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.345227 (E_RNA)
where:
Base-Base interactions energy: -619.195
where: short stacking energy: -258.846
Base-Backbone interact. energy: -1.304
local terms energy: -432.845930
where:
bonds (distance) C4'-P energy: -99.282
bonds (distance) P-C4' energy: -106.927
flat angles C4'-P-C4' energy: -113.841
flat angles P-C4'-P energy: -55.849
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -808.443218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.443218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.443218 (E_RNA)
where:
Base-Base interactions energy: -451.310
where: short stacking energy: -242.777
Base-Backbone interact. energy: 4.691
local terms energy: -361.824226
where:
bonds (distance) C4'-P energy: -104.276
bonds (distance) P-C4' energy: -94.089
flat angles C4'-P-C4' energy: -102.381
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: -28.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -442.743008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.743008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.743008 (E_RNA)
where:
Base-Base interactions energy: -128.088
where: short stacking energy: -102.506
Base-Backbone interact. energy: -4.234
local terms energy: -310.421668
where:
bonds (distance) C4'-P energy: -96.615
bonds (distance) P-C4' energy: -87.814
flat angles C4'-P-C4' energy: -112.710
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: 26.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2197.951828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.951828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.951828 (E_RNA)
where:
Base-Base interactions energy: -1539.854
where: short stacking energy: -621.563
Base-Backbone interact. energy: -3.100
local terms energy: -654.997274
where:
bonds (distance) C4'-P energy: -118.491
bonds (distance) P-C4' energy: -131.456
flat angles C4'-P-C4' energy: -133.220
flat angles P-C4'-P energy: -93.222
tors. eta vs tors. theta energy: -178.608
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: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2081.513176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.513176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.513176 (E_RNA)
where:
Base-Base interactions energy: -1410.343
where: short stacking energy: -559.627
Base-Backbone interact. energy: -2.562
local terms energy: -668.607652
where:
bonds (distance) C4'-P energy: -120.832
bonds (distance) P-C4' energy: -140.742
flat angles C4'-P-C4' energy: -134.687
flat angles P-C4'-P energy: -96.235
tors. eta vs tors. theta energy: -176.113
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: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1974.535993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.535993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.535993 (E_RNA)
where:
Base-Base interactions energy: -1351.401
where: short stacking energy: -581.407
Base-Backbone interact. energy: -1.103
local terms energy: -622.031683
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -121.681
flat angles C4'-P-C4' energy: -133.404
flat angles P-C4'-P energy: -85.299
tors. eta vs tors. theta energy: -174.775
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1858.503369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.503369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.503369 (E_RNA)
where:
Base-Base interactions energy: -1271.999
where: short stacking energy: -546.673
Base-Backbone interact. energy: 2.619
local terms energy: -589.123771
where:
bonds (distance) C4'-P energy: -100.016
bonds (distance) P-C4' energy: -122.504
flat angles C4'-P-C4' energy: -121.070
flat angles P-C4'-P energy: -80.682
tors. eta vs tors. theta energy: -164.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1757.332215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.332215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.332215 (E_RNA)
where:
Base-Base interactions energy: -1165.982
where: short stacking energy: -513.169
Base-Backbone interact. energy: 4.865
local terms energy: -596.215116
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -115.178
flat angles C4'-P-C4' energy: -123.889
flat angles P-C4'-P energy: -71.665
tors. eta vs tors. theta energy: -171.452
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: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1450.224508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.224508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.224508 (E_RNA)
where:
Base-Base interactions energy: -943.809
where: short stacking energy: -436.760
Base-Backbone interact. energy: -2.304
local terms energy: -504.111153
where:
bonds (distance) C4'-P energy: -108.040
bonds (distance) P-C4' energy: -97.556
flat angles C4'-P-C4' energy: -108.882
flat angles P-C4'-P energy: -69.177
tors. eta vs tors. theta energy: -120.457
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: 117
Temperature: 1.200000
Total energy: -1217.118428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.118428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.118428 (E_RNA)
where:
Base-Base interactions energy: -774.811
where: short stacking energy: -345.461
Base-Backbone interact. energy: 2.898
local terms energy: -445.205658
where:
bonds (distance) C4'-P energy: -110.371
bonds (distance) P-C4' energy: -97.226
flat angles C4'-P-C4' energy: -105.603
flat angles P-C4'-P energy: -57.657
tors. eta vs tors. theta energy: -74.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1093.272735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.272735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.272735 (E_RNA)
where:
Base-Base interactions energy: -633.276
where: short stacking energy: -298.521
Base-Backbone interact. energy: 3.035
local terms energy: -463.031604
where:
bonds (distance) C4'-P energy: -107.007
bonds (distance) P-C4' energy: -105.845
flat angles C4'-P-C4' energy: -115.969
flat angles P-C4'-P energy: -76.242
tors. eta vs tors. theta energy: -57.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -732.874821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.874821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.874821 (E_RNA)
where:
Base-Base interactions energy: -362.516
where: short stacking energy: -204.066
Base-Backbone interact. energy: -0.191
local terms energy: -370.167989
where:
bonds (distance) C4'-P energy: -98.790
bonds (distance) P-C4' energy: -123.879
flat angles C4'-P-C4' energy: -96.921
flat angles P-C4'-P energy: -43.469
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -501.507346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.507346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.507346 (E_RNA)
where:
Base-Base interactions energy: -149.957
where: short stacking energy: -103.359
Base-Backbone interact. energy: 0.297
local terms energy: -351.847237
where:
bonds (distance) C4'-P energy: -121.960
bonds (distance) P-C4' energy: -113.191
flat angles C4'-P-C4' energy: -101.553
flat angles P-C4'-P energy: -55.757
tors. eta vs tors. theta energy: 40.613
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: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2178.014707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.014707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.014707 (E_RNA)
where:
Base-Base interactions energy: -1515.749
where: short stacking energy: -610.586
Base-Backbone interact. energy: -2.349
local terms energy: -659.917496
where:
bonds (distance) C4'-P energy: -115.363
bonds (distance) P-C4' energy: -125.455
flat angles C4'-P-C4' energy: -140.224
flat angles P-C4'-P energy: -93.961
tors. eta vs tors. theta energy: -184.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2108.221344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.221344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.221344 (E_RNA)
where:
Base-Base interactions energy: -1444.528
where: short stacking energy: -596.268
Base-Backbone interact. energy: -3.351
local terms energy: -660.342676
where:
bonds (distance) C4'-P energy: -118.537
bonds (distance) P-C4' energy: -134.064
flat angles C4'-P-C4' energy: -142.848
flat angles P-C4'-P energy: -86.575
tors. eta vs tors. theta energy: -178.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1948.684725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.684725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.684725 (E_RNA)
where:
Base-Base interactions energy: -1305.163
where: short stacking energy: -567.269
Base-Backbone interact. energy: -1.830
local terms energy: -641.691746
where:
bonds (distance) C4'-P energy: -104.998
bonds (distance) P-C4' energy: -127.343
flat angles C4'-P-C4' energy: -145.519
flat angles P-C4'-P energy: -92.878
tors. eta vs tors. theta energy: -170.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1853.038407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.038407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.038407 (E_RNA)
where:
Base-Base interactions energy: -1269.818
where: short stacking energy: -498.460
Base-Backbone interact. energy: -1.970
local terms energy: -581.250679
where:
bonds (distance) C4'-P energy: -108.533
bonds (distance) P-C4' energy: -126.545
flat angles C4'-P-C4' energy: -132.423
flat angles P-C4'-P energy: -76.009
tors. eta vs tors. theta energy: -137.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1785.983297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.983297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.983297 (E_RNA)
where:
Base-Base interactions energy: -1219.121
where: short stacking energy: -529.208
Base-Backbone interact. energy: -0.181
local terms energy: -566.682092
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -98.254
flat angles C4'-P-C4' energy: -126.235
flat angles P-C4'-P energy: -70.389
tors. eta vs tors. theta energy: -152.996
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: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1453.446269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.446269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.446269 (E_RNA)
where:
Base-Base interactions energy: -945.438
where: short stacking energy: -417.795
Base-Backbone interact. energy: -2.495
local terms energy: -505.513843
where:
bonds (distance) C4'-P energy: -106.486
bonds (distance) P-C4' energy: -100.958
flat angles C4'-P-C4' energy: -120.190
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -103.657
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: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1267.791791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.791791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.791791 (E_RNA)
where:
Base-Base interactions energy: -798.310
where: short stacking energy: -369.707
Base-Backbone interact. energy: 4.390
local terms energy: -473.871050
where:
bonds (distance) C4'-P energy: -105.735
bonds (distance) P-C4' energy: -119.003
flat angles C4'-P-C4' energy: -111.734
flat angles P-C4'-P energy: -54.806
tors. eta vs tors. theta energy: -82.593
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: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1029.822667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.822667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.822667 (E_RNA)
where:
Base-Base interactions energy: -585.920
where: short stacking energy: -275.687
Base-Backbone interact. energy: -2.013
local terms energy: -441.889254
where:
bonds (distance) C4'-P energy: -101.038
bonds (distance) P-C4' energy: -103.130
flat angles C4'-P-C4' energy: -107.774
flat angles P-C4'-P energy: -76.701
tors. eta vs tors. theta energy: -53.246
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: 118
Temperature: 1.300000
Total energy: -722.290170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.290170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.290170 (E_RNA)
where:
Base-Base interactions energy: -357.027
where: short stacking energy: -181.547
Base-Backbone interact. energy: 4.526
local terms energy: -369.789165
where:
bonds (distance) C4'-P energy: -102.004
bonds (distance) P-C4' energy: -108.596
flat angles C4'-P-C4' energy: -94.093
flat angles P-C4'-P energy: -50.542
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -473.680469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.680469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.680469 (E_RNA)
where:
Base-Base interactions energy: -172.336
where: short stacking energy: -134.719
Base-Backbone interact. energy: -0.314
local terms energy: -301.031155
where:
bonds (distance) C4'-P energy: -86.154
bonds (distance) P-C4' energy: -108.851
flat angles C4'-P-C4' energy: -76.540
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: 14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2211.965556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.965556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.965556 (E_RNA)
where:
Base-Base interactions energy: -1551.806
where: short stacking energy: -594.545
Base-Backbone interact. energy: 0.141
local terms energy: -660.300794
where:
bonds (distance) C4'-P energy: -132.173
bonds (distance) P-C4' energy: -116.948
flat angles C4'-P-C4' energy: -135.064
flat angles P-C4'-P energy: -92.042
tors. eta vs tors. theta energy: -184.074
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: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2100.123367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.123367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.123367 (E_RNA)
where:
Base-Base interactions energy: -1450.090
where: short stacking energy: -615.031
Base-Backbone interact. energy: -0.436
local terms energy: -649.597268
where:
bonds (distance) C4'-P energy: -109.150
bonds (distance) P-C4' energy: -114.523
flat angles C4'-P-C4' energy: -146.380
flat angles P-C4'-P energy: -87.865
tors. eta vs tors. theta energy: -191.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1949.170404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.170404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.170404 (E_RNA)
where:
Base-Base interactions energy: -1322.636
where: short stacking energy: -564.551
Base-Backbone interact. energy: 0.620
local terms energy: -627.154236
where:
bonds (distance) C4'-P energy: -123.981
bonds (distance) P-C4' energy: -92.594
flat angles C4'-P-C4' energy: -142.362
flat angles P-C4'-P energy: -91.355
tors. eta vs tors. theta energy: -176.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1831.265763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.265763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.265763 (E_RNA)
where:
Base-Base interactions energy: -1288.733
where: short stacking energy: -508.241
Base-Backbone interact. energy: -1.477
local terms energy: -541.055784
where:
bonds (distance) C4'-P energy: -105.609
bonds (distance) P-C4' energy: -109.524
flat angles C4'-P-C4' energy: -118.163
flat angles P-C4'-P energy: -72.710
tors. eta vs tors. theta energy: -135.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1750.534773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.534773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.534773 (E_RNA)
where:
Base-Base interactions energy: -1172.532
where: short stacking energy: -497.233
Base-Backbone interact. energy: -0.147
local terms energy: -577.855950
where:
bonds (distance) C4'-P energy: -105.390
bonds (distance) P-C4' energy: -116.896
flat angles C4'-P-C4' energy: -132.791
flat angles P-C4'-P energy: -77.208
tors. eta vs tors. theta energy: -145.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1435.129069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.129069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.129069 (E_RNA)
where:
Base-Base interactions energy: -913.698
where: short stacking energy: -416.693
Base-Backbone interact. energy: -2.960
local terms energy: -518.471138
where:
bonds (distance) C4'-P energy: -102.067
bonds (distance) P-C4' energy: -114.108
flat angles C4'-P-C4' energy: -120.565
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -112.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1301.336879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.336879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.336879 (E_RNA)
where:
Base-Base interactions energy: -824.231
where: short stacking energy: -383.219
Base-Backbone interact. energy: -1.358
local terms energy: -475.747433
where:
bonds (distance) C4'-P energy: -115.946
bonds (distance) P-C4' energy: -118.981
flat angles C4'-P-C4' energy: -105.526
flat angles P-C4'-P energy: -48.797
tors. eta vs tors. theta energy: -86.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1056.573501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.573501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.573501 (E_RNA)
where:
Base-Base interactions energy: -635.765
where: short stacking energy: -271.926
Base-Backbone interact. energy: -1.364
local terms energy: -419.444690
where:
bonds (distance) C4'-P energy: -95.422
bonds (distance) P-C4' energy: -112.889
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -66.911
tors. eta vs tors. theta energy: -48.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -698.693359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.693359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.693359 (E_RNA)
where:
Base-Base interactions energy: -331.686
where: short stacking energy: -166.926
Base-Backbone interact. energy: 0.703
local terms energy: -367.710579
where:
bonds (distance) C4'-P energy: -110.276
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -96.716
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -11.098
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: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -465.879432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.879432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.879432 (E_RNA)
where:
Base-Base interactions energy: -172.735
where: short stacking energy: -146.873
Base-Backbone interact. energy: -1.094
local terms energy: -292.050759
where:
bonds (distance) C4'-P energy: -92.899
bonds (distance) P-C4' energy: -102.893
flat angles C4'-P-C4' energy: -84.326
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: 30.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2203.933714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.933714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.933714 (E_RNA)
where:
Base-Base interactions energy: -1525.003
where: short stacking energy: -590.784
Base-Backbone interact. energy: -0.439
local terms energy: -678.491664
where:
bonds (distance) C4'-P energy: -139.640
bonds (distance) P-C4' energy: -129.445
flat angles C4'-P-C4' energy: -142.348
flat angles P-C4'-P energy: -92.531
tors. eta vs tors. theta energy: -174.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2085.476257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.476257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.476257 (E_RNA)
where:
Base-Base interactions energy: -1430.340
where: short stacking energy: -601.475
Base-Backbone interact. energy: -3.534
local terms energy: -651.602253
where:
bonds (distance) C4'-P energy: -117.089
bonds (distance) P-C4' energy: -121.182
flat angles C4'-P-C4' energy: -135.642
flat angles P-C4'-P energy: -92.335
tors. eta vs tors. theta energy: -185.355
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: 120
Temperature: 1.000000
Total energy: -1956.222342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.222342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.222342 (E_RNA)
where:
Base-Base interactions energy: -1304.507
where: short stacking energy: -571.416
Base-Backbone interact. energy: -2.649
local terms energy: -649.065891
where:
bonds (distance) C4'-P energy: -121.602
bonds (distance) P-C4' energy: -125.897
flat angles C4'-P-C4' energy: -139.236
flat angles P-C4'-P energy: -82.174
tors. eta vs tors. theta energy: -180.157
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: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1919.653614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.653614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.653614 (E_RNA)
where:
Base-Base interactions energy: -1334.192
where: short stacking energy: -535.944
Base-Backbone interact. energy: 1.726
local terms energy: -587.186839
where:
bonds (distance) C4'-P energy: -109.374
bonds (distance) P-C4' energy: -127.501
flat angles C4'-P-C4' energy: -124.782
flat angles P-C4'-P energy: -74.685
tors. eta vs tors. theta energy: -150.846
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: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1722.105276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.105276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.105276 (E_RNA)
where:
Base-Base interactions energy: -1157.596
where: short stacking energy: -504.781
Base-Backbone interact. energy: -0.598
local terms energy: -563.911851
where:
bonds (distance) C4'-P energy: -114.194
bonds (distance) P-C4' energy: -113.134
flat angles C4'-P-C4' energy: -129.741
flat angles P-C4'-P energy: -71.782
tors. eta vs tors. theta energy: -135.060
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: 120
Temperature: 1.150000
Total energy: -1422.421645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.421645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.421645 (E_RNA)
where:
Base-Base interactions energy: -930.679
where: short stacking energy: -405.859
Base-Backbone interact. energy: -3.327
local terms energy: -488.415468
where:
bonds (distance) C4'-P energy: -101.467
bonds (distance) P-C4' energy: -111.796
flat angles C4'-P-C4' energy: -104.087
flat angles P-C4'-P energy: -68.011
tors. eta vs tors. theta energy: -103.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1246.981199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.981199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.981199 (E_RNA)
where:
Base-Base interactions energy: -742.550
where: short stacking energy: -338.598
Base-Backbone interact. energy: -0.355
local terms energy: -504.076807
where:
bonds (distance) C4'-P energy: -118.921
bonds (distance) P-C4' energy: -114.772
flat angles C4'-P-C4' energy: -122.779
flat angles P-C4'-P energy: -72.430
tors. eta vs tors. theta energy: -75.174
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: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1035.896126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.896126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.896126 (E_RNA)
where:
Base-Base interactions energy: -600.519
where: short stacking energy: -284.644
Base-Backbone interact. energy: -2.134
local terms energy: -433.243295
where:
bonds (distance) C4'-P energy: -113.541
bonds (distance) P-C4' energy: -117.446
flat angles C4'-P-C4' energy: -93.046
flat angles P-C4'-P energy: -65.242
tors. eta vs tors. theta energy: -43.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -716.028709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.028709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.028709 (E_RNA)
where:
Base-Base interactions energy: -332.356
where: short stacking energy: -184.850
Base-Backbone interact. energy: 2.165
local terms energy: -385.837303
where:
bonds (distance) C4'-P energy: -108.414
bonds (distance) P-C4' energy: -100.546
flat angles C4'-P-C4' energy: -86.937
flat angles P-C4'-P energy: -77.695
tors. eta vs tors. theta energy: -12.245
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: 120
Temperature: 1.350000
Total energy: -460.309718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.309718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.309718 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -119.039
Base-Backbone interact. energy: 2.571
local terms energy: -329.808043
where:
bonds (distance) C4'-P energy: -100.669
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -93.789
flat angles P-C4'-P energy: -46.593
tors. eta vs tors. theta energy: 15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2212.277477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.277477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.277477 (E_RNA)
where:
Base-Base interactions energy: -1522.335
where: short stacking energy: -606.231
Base-Backbone interact. energy: -2.805
local terms energy: -687.137882
where:
bonds (distance) C4'-P energy: -122.535
bonds (distance) P-C4' energy: -127.999
flat angles C4'-P-C4' energy: -153.025
flat angles P-C4'-P energy: -105.155
tors. eta vs tors. theta energy: -178.424
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: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2071.202914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.202914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.202914 (E_RNA)
where:
Base-Base interactions energy: -1427.952
where: short stacking energy: -580.456
Base-Backbone interact. energy: -5.657
local terms energy: -637.594530
where:
bonds (distance) C4'-P energy: -118.683
bonds (distance) P-C4' energy: -114.897
flat angles C4'-P-C4' energy: -137.569
flat angles P-C4'-P energy: -85.961
tors. eta vs tors. theta energy: -180.485
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: 121
Temperature: 1.000000
Total energy: -1943.129029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.129029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.129029 (E_RNA)
where:
Base-Base interactions energy: -1294.894
where: short stacking energy: -570.413
Base-Backbone interact. energy: -1.166
local terms energy: -647.069494
where:
bonds (distance) C4'-P energy: -125.290
bonds (distance) P-C4' energy: -107.050
flat angles C4'-P-C4' energy: -142.330
flat angles P-C4'-P energy: -94.941
tors. eta vs tors. theta energy: -177.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1865.883957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.883957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.883957 (E_RNA)
where:
Base-Base interactions energy: -1281.872
where: short stacking energy: -525.028
Base-Backbone interact. energy: -1.063
local terms energy: -582.949308
where:
bonds (distance) C4'-P energy: -109.484
bonds (distance) P-C4' energy: -117.001
flat angles C4'-P-C4' energy: -127.010
flat angles P-C4'-P energy: -86.807
tors. eta vs tors. theta energy: -142.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1717.883088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.883088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.883088 (E_RNA)
where:
Base-Base interactions energy: -1162.882
where: short stacking energy: -484.751
Base-Backbone interact. energy: -3.215
local terms energy: -551.786721
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -99.700
flat angles C4'-P-C4' energy: -127.285
flat angles P-C4'-P energy: -76.125
tors. eta vs tors. theta energy: -137.607
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: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1458.320305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.320305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.320305 (E_RNA)
where:
Base-Base interactions energy: -969.411
where: short stacking energy: -430.233
Base-Backbone interact. energy: -1.959
local terms energy: -486.949565
where:
bonds (distance) C4'-P energy: -96.651
bonds (distance) P-C4' energy: -109.827
flat angles C4'-P-C4' energy: -113.653
flat angles P-C4'-P energy: -72.549
tors. eta vs tors. theta energy: -94.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1298.117596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.117596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.117596 (E_RNA)
where:
Base-Base interactions energy: -816.501
where: short stacking energy: -374.676
Base-Backbone interact. energy: -1.118
local terms energy: -480.498898
where:
bonds (distance) C4'-P energy: -96.010
bonds (distance) P-C4' energy: -110.353
flat angles C4'-P-C4' energy: -108.588
flat angles P-C4'-P energy: -61.052
tors. eta vs tors. theta energy: -104.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1034.772290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.772290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.772290 (E_RNA)
where:
Base-Base interactions energy: -603.874
where: short stacking energy: -280.818
Base-Backbone interact. energy: 7.206
local terms energy: -438.104717
where:
bonds (distance) C4'-P energy: -102.725
bonds (distance) P-C4' energy: -102.564
flat angles C4'-P-C4' energy: -109.925
flat angles P-C4'-P energy: -77.535
tors. eta vs tors. theta energy: -45.356
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: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -744.583948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.583948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.583948 (E_RNA)
where:
Base-Base interactions energy: -377.836
where: short stacking energy: -205.291
Base-Backbone interact. energy: 4.485
local terms energy: -371.233363
where:
bonds (distance) C4'-P energy: -95.356
bonds (distance) P-C4' energy: -110.864
flat angles C4'-P-C4' energy: -86.284
flat angles P-C4'-P energy: -56.857
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -453.129805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.129805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.129805 (E_RNA)
where:
Base-Base interactions energy: -126.036
where: short stacking energy: -109.040
Base-Backbone interact. energy: -0.309
local terms energy: -326.784897
where:
bonds (distance) C4'-P energy: -102.784
bonds (distance) P-C4' energy: -113.160
flat angles C4'-P-C4' energy: -66.278
flat angles P-C4'-P energy: -63.145
tors. eta vs tors. theta energy: 18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2172.878962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.878962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.878962 (E_RNA)
where:
Base-Base interactions energy: -1529.918
where: short stacking energy: -596.196
Base-Backbone interact. energy: -2.564
local terms energy: -640.396772
where:
bonds (distance) C4'-P energy: -126.304
bonds (distance) P-C4' energy: -119.718
flat angles C4'-P-C4' energy: -132.046
flat angles P-C4'-P energy: -84.552
tors. eta vs tors. theta energy: -177.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2072.563792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.563792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.563792 (E_RNA)
where:
Base-Base interactions energy: -1405.632
where: short stacking energy: -596.409
Base-Backbone interact. energy: -1.072
local terms energy: -665.859878
where:
bonds (distance) C4'-P energy: -125.976
bonds (distance) P-C4' energy: -135.115
flat angles C4'-P-C4' energy: -133.447
flat angles P-C4'-P energy: -91.804
tors. eta vs tors. theta energy: -179.519
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: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1984.968128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.968128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.968128 (E_RNA)
where:
Base-Base interactions energy: -1330.049
where: short stacking energy: -540.641
Base-Backbone interact. energy: -0.118
local terms energy: -654.801549
where:
bonds (distance) C4'-P energy: -120.420
bonds (distance) P-C4' energy: -122.935
flat angles C4'-P-C4' energy: -134.521
flat angles P-C4'-P energy: -94.291
tors. eta vs tors. theta energy: -182.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1893.994384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.994384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.994384 (E_RNA)
where:
Base-Base interactions energy: -1271.768
where: short stacking energy: -528.655
Base-Backbone interact. energy: 4.866
local terms energy: -627.092970
where:
bonds (distance) C4'-P energy: -116.321
bonds (distance) P-C4' energy: -120.748
flat angles C4'-P-C4' energy: -139.779
flat angles P-C4'-P energy: -95.302
tors. eta vs tors. theta energy: -154.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1711.769153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.769153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.769153 (E_RNA)
where:
Base-Base interactions energy: -1150.696
where: short stacking energy: -481.591
Base-Backbone interact. energy: -2.641
local terms energy: -558.431907
where:
bonds (distance) C4'-P energy: -102.655
bonds (distance) P-C4' energy: -121.973
flat angles C4'-P-C4' energy: -129.082
flat angles P-C4'-P energy: -67.999
tors. eta vs tors. theta energy: -136.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1511.386095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.386095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.386095 (E_RNA)
where:
Base-Base interactions energy: -980.097
where: short stacking energy: -423.802
Base-Backbone interact. energy: 3.166
local terms energy: -534.455121
where:
bonds (distance) C4'-P energy: -108.916
bonds (distance) P-C4' energy: -128.245
flat angles C4'-P-C4' energy: -125.552
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -113.817
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1337.522319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.522319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.522319 (E_RNA)
where:
Base-Base interactions energy: -839.995
where: short stacking energy: -369.994
Base-Backbone interact. energy: 3.373
local terms energy: -500.899602
where:
bonds (distance) C4'-P energy: -116.255
bonds (distance) P-C4' energy: -124.280
flat angles C4'-P-C4' energy: -111.195
flat angles P-C4'-P energy: -62.801
tors. eta vs tors. theta energy: -86.369
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: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -972.580529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.580529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.580529 (E_RNA)
where:
Base-Base interactions energy: -568.182
where: short stacking energy: -256.447
Base-Backbone interact. energy: 0.526
local terms energy: -404.924097
where:
bonds (distance) C4'-P energy: -98.174
bonds (distance) P-C4' energy: -115.517
flat angles C4'-P-C4' energy: -93.809
flat angles P-C4'-P energy: -58.761
tors. eta vs tors. theta energy: -38.663
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: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -717.049180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.049180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.049180 (E_RNA)
where:
Base-Base interactions energy: -367.723
where: short stacking energy: -210.101
Base-Backbone interact. energy: 1.914
local terms energy: -351.240584
where:
bonds (distance) C4'-P energy: -83.690
bonds (distance) P-C4' energy: -84.942
flat angles C4'-P-C4' energy: -102.443
flat angles P-C4'-P energy: -53.262
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -455.230777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.230777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.230777 (E_RNA)
where:
Base-Base interactions energy: -147.935
where: short stacking energy: -122.372
Base-Backbone interact. energy: 4.186
local terms energy: -311.481271
where:
bonds (distance) C4'-P energy: -101.257
bonds (distance) P-C4' energy: -97.239
flat angles C4'-P-C4' energy: -104.638
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: 17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2183.408999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.408999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.408999 (E_RNA)
where:
Base-Base interactions energy: -1526.884
where: short stacking energy: -603.434
Base-Backbone interact. energy: 2.273
local terms energy: -658.797523
where:
bonds (distance) C4'-P energy: -124.612
bonds (distance) P-C4' energy: -126.534
flat angles C4'-P-C4' energy: -135.123
flat angles P-C4'-P energy: -100.166
tors. eta vs tors. theta energy: -172.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2049.479151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.479151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.479151 (E_RNA)
where:
Base-Base interactions energy: -1430.359
where: short stacking energy: -591.969
Base-Backbone interact. energy: 1.987
local terms energy: -621.107504
where:
bonds (distance) C4'-P energy: -119.648
bonds (distance) P-C4' energy: -116.058
flat angles C4'-P-C4' energy: -144.012
flat angles P-C4'-P energy: -77.997
tors. eta vs tors. theta energy: -163.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1965.954032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.954032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.954032 (E_RNA)
where:
Base-Base interactions energy: -1318.998
where: short stacking energy: -586.417
Base-Backbone interact. energy: -2.661
local terms energy: -644.295472
where:
bonds (distance) C4'-P energy: -109.129
bonds (distance) P-C4' energy: -120.748
flat angles C4'-P-C4' energy: -143.592
flat angles P-C4'-P energy: -99.046
tors. eta vs tors. theta energy: -171.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1807.054818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.054818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.054818 (E_RNA)
where:
Base-Base interactions energy: -1195.415
where: short stacking energy: -477.415
Base-Backbone interact. energy: 4.022
local terms energy: -615.661518
where:
bonds (distance) C4'-P energy: -111.718
bonds (distance) P-C4' energy: -115.881
flat angles C4'-P-C4' energy: -143.397
flat angles P-C4'-P energy: -106.335
tors. eta vs tors. theta energy: -138.330
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: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1684.560366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.560366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.560366 (E_RNA)
where:
Base-Base interactions energy: -1083.010
where: short stacking energy: -482.602
Base-Backbone interact. energy: -2.005
local terms energy: -599.545577
where:
bonds (distance) C4'-P energy: -118.971
bonds (distance) P-C4' energy: -133.483
flat angles C4'-P-C4' energy: -123.034
flat angles P-C4'-P energy: -78.265
tors. eta vs tors. theta energy: -145.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1453.622949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.622949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.622949 (E_RNA)
where:
Base-Base interactions energy: -943.261
where: short stacking energy: -389.238
Base-Backbone interact. energy: -3.020
local terms energy: -507.342098
where:
bonds (distance) C4'-P energy: -105.078
bonds (distance) P-C4' energy: -107.937
flat angles C4'-P-C4' energy: -118.355
flat angles P-C4'-P energy: -74.666
tors. eta vs tors. theta energy: -101.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1242.908504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.908504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.908504 (E_RNA)
where:
Base-Base interactions energy: -779.334
where: short stacking energy: -345.881
Base-Backbone interact. energy: -2.087
local terms energy: -461.487868
where:
bonds (distance) C4'-P energy: -104.850
bonds (distance) P-C4' energy: -108.169
flat angles C4'-P-C4' energy: -98.444
flat angles P-C4'-P energy: -67.365
tors. eta vs tors. theta energy: -82.660
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: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -935.258688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.258688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.258688 (E_RNA)
where:
Base-Base interactions energy: -493.906
where: short stacking energy: -226.633
Base-Backbone interact. energy: -1.842
local terms energy: -439.510150
where:
bonds (distance) C4'-P energy: -116.031
bonds (distance) P-C4' energy: -115.438
flat angles C4'-P-C4' energy: -109.074
flat angles P-C4'-P energy: -60.875
tors. eta vs tors. theta energy: -38.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -714.476653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.476653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.476653 (E_RNA)
where:
Base-Base interactions energy: -371.677
where: short stacking energy: -195.951
Base-Backbone interact. energy: -4.601
local terms energy: -338.198533
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -113.937
flat angles C4'-P-C4' energy: -90.552
flat angles P-C4'-P energy: -41.807
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -452.677733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.677733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.677733 (E_RNA)
where:
Base-Base interactions energy: -157.629
where: short stacking energy: -123.770
Base-Backbone interact. energy: 3.684
local terms energy: -298.733405
where:
bonds (distance) C4'-P energy: -109.972
bonds (distance) P-C4' energy: -102.167
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -43.296
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: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2197.877226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.877226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.877226 (E_RNA)
where:
Base-Base interactions energy: -1573.371
where: short stacking energy: -583.418
Base-Backbone interact. energy: -2.000
local terms energy: -622.506496
where:
bonds (distance) C4'-P energy: -117.853
bonds (distance) P-C4' energy: -119.666
flat angles C4'-P-C4' energy: -135.874
flat angles P-C4'-P energy: -86.063
tors. eta vs tors. theta energy: -163.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2081.381145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.381145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.381145 (E_RNA)
where:
Base-Base interactions energy: -1433.976
where: short stacking energy: -590.266
Base-Backbone interact. energy: -4.258
local terms energy: -643.147203
where:
bonds (distance) C4'-P energy: -121.703
bonds (distance) P-C4' energy: -120.161
flat angles C4'-P-C4' energy: -143.790
flat angles P-C4'-P energy: -83.445
tors. eta vs tors. theta energy: -174.049
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: 124
Temperature: 1.000000
Total energy: -1983.898838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.898838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.898838 (E_RNA)
where:
Base-Base interactions energy: -1320.419
where: short stacking energy: -605.288
Base-Backbone interact. energy: -4.214
local terms energy: -659.265714
where:
bonds (distance) C4'-P energy: -115.313
bonds (distance) P-C4' energy: -118.141
flat angles C4'-P-C4' energy: -140.751
flat angles P-C4'-P energy: -99.308
tors. eta vs tors. theta energy: -185.753
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: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1805.700405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.700405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.700405 (E_RNA)
where:
Base-Base interactions energy: -1226.670
where: short stacking energy: -488.833
Base-Backbone interact. energy: 0.083
local terms energy: -579.112706
where:
bonds (distance) C4'-P energy: -119.415
bonds (distance) P-C4' energy: -107.269
flat angles C4'-P-C4' energy: -128.732
flat angles P-C4'-P energy: -72.407
tors. eta vs tors. theta energy: -151.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1713.503898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.503898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.503898 (E_RNA)
where:
Base-Base interactions energy: -1126.559
where: short stacking energy: -474.620
Base-Backbone interact. energy: -0.160
local terms energy: -586.785612
where:
bonds (distance) C4'-P energy: -122.675
bonds (distance) P-C4' energy: -111.655
flat angles C4'-P-C4' energy: -125.152
flat angles P-C4'-P energy: -86.087
tors. eta vs tors. theta energy: -141.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1489.548645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.548645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.548645 (E_RNA)
where:
Base-Base interactions energy: -958.271
where: short stacking energy: -411.356
Base-Backbone interact. energy: -1.030
local terms energy: -530.247617
where:
bonds (distance) C4'-P energy: -109.683
bonds (distance) P-C4' energy: -113.468
flat angles C4'-P-C4' energy: -120.397
flat angles P-C4'-P energy: -71.023
tors. eta vs tors. theta energy: -115.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1261.802562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.802562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.802562 (E_RNA)
where:
Base-Base interactions energy: -771.679
where: short stacking energy: -351.145
Base-Backbone interact. energy: 0.923
local terms energy: -491.045962
where:
bonds (distance) C4'-P energy: -98.242
bonds (distance) P-C4' energy: -113.716
flat angles C4'-P-C4' energy: -114.654
flat angles P-C4'-P energy: -84.246
tors. eta vs tors. theta energy: -80.188
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: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -936.626194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.626194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.626194 (E_RNA)
where:
Base-Base interactions energy: -536.112
where: short stacking energy: -245.220
Base-Backbone interact. energy: 1.235
local terms energy: -401.748978
where:
bonds (distance) C4'-P energy: -104.059
bonds (distance) P-C4' energy: -101.927
flat angles C4'-P-C4' energy: -103.221
flat angles P-C4'-P energy: -57.426
tors. eta vs tors. theta energy: -35.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -732.342581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.342581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.342581 (E_RNA)
where:
Base-Base interactions energy: -355.284
where: short stacking energy: -190.920
Base-Backbone interact. energy: 2.794
local terms energy: -379.852680
where:
bonds (distance) C4'-P energy: -108.750
bonds (distance) P-C4' energy: -112.615
flat angles C4'-P-C4' energy: -111.078
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -2.242
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: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -445.002425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.002425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.002425 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -102.178
Base-Backbone interact. energy: -1.733
local terms energy: -301.562192
where:
bonds (distance) C4'-P energy: -98.061
bonds (distance) P-C4' energy: -103.621
flat angles C4'-P-C4' energy: -77.171
flat angles P-C4'-P energy: -54.734
tors. eta vs tors. theta energy: 32.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2181.405698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.405698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.405698 (E_RNA)
where:
Base-Base interactions energy: -1534.473
where: short stacking energy: -589.176
Base-Backbone interact. energy: -2.390
local terms energy: -644.543090
where:
bonds (distance) C4'-P energy: -121.167
bonds (distance) P-C4' energy: -126.544
flat angles C4'-P-C4' energy: -139.096
flat angles P-C4'-P energy: -93.200
tors. eta vs tors. theta energy: -164.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2076.084612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.084612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.084612 (E_RNA)
where:
Base-Base interactions energy: -1450.822
where: short stacking energy: -606.309
Base-Backbone interact. energy: -2.362
local terms energy: -622.900943
where:
bonds (distance) C4'-P energy: -108.462
bonds (distance) P-C4' energy: -108.062
flat angles C4'-P-C4' energy: -138.234
flat angles P-C4'-P energy: -85.662
tors. eta vs tors. theta energy: -182.481
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: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1967.483053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.483053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.483053 (E_RNA)
where:
Base-Base interactions energy: -1353.413
where: short stacking energy: -588.874
Base-Backbone interact. energy: 0.783
local terms energy: -614.852954
where:
bonds (distance) C4'-P energy: -108.143
bonds (distance) P-C4' energy: -114.406
flat angles C4'-P-C4' energy: -130.281
flat angles P-C4'-P energy: -96.477
tors. eta vs tors. theta energy: -165.547
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1805.328753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.328753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.328753 (E_RNA)
where:
Base-Base interactions energy: -1244.163
where: short stacking energy: -505.771
Base-Backbone interact. energy: -1.400
local terms energy: -559.766306
where:
bonds (distance) C4'-P energy: -100.067
bonds (distance) P-C4' energy: -108.259
flat angles C4'-P-C4' energy: -139.376
flat angles P-C4'-P energy: -60.253
tors. eta vs tors. theta energy: -151.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1723.212317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.212317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.212317 (E_RNA)
where:
Base-Base interactions energy: -1158.325
where: short stacking energy: -454.535
Base-Backbone interact. energy: -1.257
local terms energy: -563.630425
where:
bonds (distance) C4'-P energy: -102.416
bonds (distance) P-C4' energy: -129.912
flat angles C4'-P-C4' energy: -120.645
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -131.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1535.371877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.371877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.371877 (E_RNA)
where:
Base-Base interactions energy: -1022.393
where: short stacking energy: -446.276
Base-Backbone interact. energy: -3.834
local terms energy: -509.144917
where:
bonds (distance) C4'-P energy: -114.192
bonds (distance) P-C4' energy: -104.721
flat angles C4'-P-C4' energy: -102.283
flat angles P-C4'-P energy: -70.636
tors. eta vs tors. theta energy: -117.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1295.682569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.682569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.682569 (E_RNA)
where:
Base-Base interactions energy: -834.154
where: short stacking energy: -377.624
Base-Backbone interact. energy: -4.457
local terms energy: -457.071392
where:
bonds (distance) C4'-P energy: -81.609
bonds (distance) P-C4' energy: -110.178
flat angles C4'-P-C4' energy: -103.026
flat angles P-C4'-P energy: -73.897
tors. eta vs tors. theta energy: -88.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -877.197318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.197318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.197318 (E_RNA)
where:
Base-Base interactions energy: -485.312
where: short stacking energy: -249.374
Base-Backbone interact. energy: 10.881
local terms energy: -402.766668
where:
bonds (distance) C4'-P energy: -95.281
bonds (distance) P-C4' energy: -117.613
flat angles C4'-P-C4' energy: -85.329
flat angles P-C4'-P energy: -76.101
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: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -678.967755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.967755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.967755 (E_RNA)
where:
Base-Base interactions energy: -325.309
where: short stacking energy: -169.644
Base-Backbone interact. energy: -0.621
local terms energy: -353.038544
where:
bonds (distance) C4'-P energy: -90.665
bonds (distance) P-C4' energy: -111.174
flat angles C4'-P-C4' energy: -96.371
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: 19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -454.252664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.252664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.252664 (E_RNA)
where:
Base-Base interactions energy: -120.772
where: short stacking energy: -112.079
Base-Backbone interact. energy: -2.586
local terms energy: -330.894562
where:
bonds (distance) C4'-P energy: -110.853
bonds (distance) P-C4' energy: -116.176
flat angles C4'-P-C4' energy: -92.967
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: 35.263
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: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2166.450335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.450335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.450335 (E_RNA)
where:
Base-Base interactions energy: -1508.846
where: short stacking energy: -558.771
Base-Backbone interact. energy: -4.427
local terms energy: -653.177572
where:
bonds (distance) C4'-P energy: -130.612
bonds (distance) P-C4' energy: -125.024
flat angles C4'-P-C4' energy: -138.302
flat angles P-C4'-P energy: -90.175
tors. eta vs tors. theta energy: -169.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2055.255069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.255069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.255069 (E_RNA)
where:
Base-Base interactions energy: -1412.499
where: short stacking energy: -597.729
Base-Backbone interact. energy: -4.044
local terms energy: -638.712339
where:
bonds (distance) C4'-P energy: -121.825
bonds (distance) P-C4' energy: -115.948
flat angles C4'-P-C4' energy: -126.236
flat angles P-C4'-P energy: -93.277
tors. eta vs tors. theta energy: -181.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1984.352625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.352625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.352625 (E_RNA)
where:
Base-Base interactions energy: -1323.610
where: short stacking energy: -570.760
Base-Backbone interact. energy: -2.798
local terms energy: -657.944375
where:
bonds (distance) C4'-P energy: -119.543
bonds (distance) P-C4' energy: -130.908
flat angles C4'-P-C4' energy: -141.268
flat angles P-C4'-P energy: -93.396
tors. eta vs tors. theta energy: -172.829
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: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1806.894890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.894890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.894890 (E_RNA)
where:
Base-Base interactions energy: -1201.552
where: short stacking energy: -497.319
Base-Backbone interact. energy: 1.013
local terms energy: -606.356335
where:
bonds (distance) C4'-P energy: -112.091
bonds (distance) P-C4' energy: -127.782
flat angles C4'-P-C4' energy: -126.953
flat angles P-C4'-P energy: -92.065
tors. eta vs tors. theta energy: -147.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1711.624516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.624516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.624516 (E_RNA)
where:
Base-Base interactions energy: -1154.527
where: short stacking energy: -465.987
Base-Backbone interact. energy: 2.177
local terms energy: -559.274857
where:
bonds (distance) C4'-P energy: -122.230
bonds (distance) P-C4' energy: -110.924
flat angles C4'-P-C4' energy: -109.566
flat angles P-C4'-P energy: -74.819
tors. eta vs tors. theta energy: -141.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1527.271242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.271242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.271242 (E_RNA)
where:
Base-Base interactions energy: -1017.773
where: short stacking energy: -425.297
Base-Backbone interact. energy: -3.807
local terms energy: -505.691219
where:
bonds (distance) C4'-P energy: -107.206
bonds (distance) P-C4' energy: -112.002
flat angles C4'-P-C4' energy: -109.004
flat angles P-C4'-P energy: -63.534
tors. eta vs tors. theta energy: -113.945
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: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1313.540275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.540275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.540275 (E_RNA)
where:
Base-Base interactions energy: -826.107
where: short stacking energy: -352.115
Base-Backbone interact. energy: -2.077
local terms energy: -485.356081
where:
bonds (distance) C4'-P energy: -110.170
bonds (distance) P-C4' energy: -124.398
flat angles C4'-P-C4' energy: -106.997
flat angles P-C4'-P energy: -64.184
tors. eta vs tors. theta energy: -79.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -918.426121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.426121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.426121 (E_RNA)
where:
Base-Base interactions energy: -495.024
where: short stacking energy: -238.887
Base-Backbone interact. energy: 0.286
local terms energy: -423.687533
where:
bonds (distance) C4'-P energy: -78.397
bonds (distance) P-C4' energy: -126.245
flat angles C4'-P-C4' energy: -109.555
flat angles P-C4'-P energy: -62.909
tors. eta vs tors. theta energy: -46.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -682.974888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.974888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.974888 (E_RNA)
where:
Base-Base interactions energy: -373.852
where: short stacking energy: -202.402
Base-Backbone interact. energy: -0.420
local terms energy: -308.702865
where:
bonds (distance) C4'-P energy: -92.351
bonds (distance) P-C4' energy: -98.555
flat angles C4'-P-C4' energy: -76.963
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: 9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -468.718826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.718826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.718826 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -107.106
Base-Backbone interact. energy: 2.167
local terms energy: -336.139342
where:
bonds (distance) C4'-P energy: -103.846
bonds (distance) P-C4' energy: -105.317
flat angles C4'-P-C4' energy: -89.891
flat angles P-C4'-P energy: -68.203
tors. eta vs tors. theta energy: 31.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2211.382446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.382446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.382446 (E_RNA)
where:
Base-Base interactions energy: -1557.087
where: short stacking energy: -598.819
Base-Backbone interact. energy: -0.576
local terms energy: -653.719134
where:
bonds (distance) C4'-P energy: -122.613
bonds (distance) P-C4' energy: -128.042
flat angles C4'-P-C4' energy: -138.216
flat angles P-C4'-P energy: -95.287
tors. eta vs tors. theta energy: -169.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2055.556710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.556710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.556710 (E_RNA)
where:
Base-Base interactions energy: -1423.658
where: short stacking energy: -561.787
Base-Backbone interact. energy: 2.164
local terms energy: -634.062630
where:
bonds (distance) C4'-P energy: -106.771
bonds (distance) P-C4' energy: -129.775
flat angles C4'-P-C4' energy: -138.667
flat angles P-C4'-P energy: -76.425
tors. eta vs tors. theta energy: -182.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2004.039061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.039061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.039061 (E_RNA)
where:
Base-Base interactions energy: -1333.533
where: short stacking energy: -571.887
Base-Backbone interact. energy: -0.864
local terms energy: -669.642201
where:
bonds (distance) C4'-P energy: -117.072
bonds (distance) P-C4' energy: -129.419
flat angles C4'-P-C4' energy: -138.060
flat angles P-C4'-P energy: -97.824
tors. eta vs tors. theta energy: -187.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1802.542048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.542048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.542048 (E_RNA)
where:
Base-Base interactions energy: -1221.626
where: short stacking energy: -503.003
Base-Backbone interact. energy: 1.478
local terms energy: -582.393852
where:
bonds (distance) C4'-P energy: -105.911
bonds (distance) P-C4' energy: -105.008
flat angles C4'-P-C4' energy: -136.340
flat angles P-C4'-P energy: -87.566
tors. eta vs tors. theta energy: -147.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1721.044203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.044203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.044203 (E_RNA)
where:
Base-Base interactions energy: -1151.618
where: short stacking energy: -492.511
Base-Backbone interact. energy: -2.383
local terms energy: -567.042811
where:
bonds (distance) C4'-P energy: -106.786
bonds (distance) P-C4' energy: -121.663
flat angles C4'-P-C4' energy: -111.225
flat angles P-C4'-P energy: -77.111
tors. eta vs tors. theta energy: -150.257
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: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1590.398904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.398904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.398904 (E_RNA)
where:
Base-Base interactions energy: -1023.500
where: short stacking energy: -419.952
Base-Backbone interact. energy: -2.338
local terms energy: -564.561881
where:
bonds (distance) C4'-P energy: -109.017
bonds (distance) P-C4' energy: -126.395
flat angles C4'-P-C4' energy: -138.062
flat angles P-C4'-P energy: -74.119
tors. eta vs tors. theta energy: -116.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1342.186399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.186399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.186399 (E_RNA)
where:
Base-Base interactions energy: -853.227
where: short stacking energy: -379.673
Base-Backbone interact. energy: 6.275
local terms energy: -495.235007
where:
bonds (distance) C4'-P energy: -104.024
bonds (distance) P-C4' energy: -98.518
flat angles C4'-P-C4' energy: -120.100
flat angles P-C4'-P energy: -83.688
tors. eta vs tors. theta energy: -88.906
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: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -916.037706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.037706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.037706 (E_RNA)
where:
Base-Base interactions energy: -514.817
where: short stacking energy: -258.901
Base-Backbone interact. energy: 1.478
local terms energy: -402.698379
where:
bonds (distance) C4'-P energy: -100.328
bonds (distance) P-C4' energy: -107.575
flat angles C4'-P-C4' energy: -102.754
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -39.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -734.669522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.669522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.669522 (E_RNA)
where:
Base-Base interactions energy: -364.042
where: short stacking energy: -204.271
Base-Backbone interact. energy: 3.879
local terms energy: -374.507035
where:
bonds (distance) C4'-P energy: -104.524
bonds (distance) P-C4' energy: -101.761
flat angles C4'-P-C4' energy: -103.214
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -459.157891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.157891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.157891 (E_RNA)
where:
Base-Base interactions energy: -171.977
where: short stacking energy: -127.351
Base-Backbone interact. energy: -1.581
local terms energy: -285.600123
where:
bonds (distance) C4'-P energy: -88.400
bonds (distance) P-C4' energy: -97.169
flat angles C4'-P-C4' energy: -85.920
flat angles P-C4'-P energy: -43.503
tors. eta vs tors. theta energy: 29.391
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: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2205.421243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.421243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.421243 (E_RNA)
where:
Base-Base interactions energy: -1565.060
where: short stacking energy: -590.781
Base-Backbone interact. energy: 0.670
local terms energy: -641.031010
where:
bonds (distance) C4'-P energy: -128.908
bonds (distance) P-C4' energy: -120.077
flat angles C4'-P-C4' energy: -140.716
flat angles P-C4'-P energy: -86.272
tors. eta vs tors. theta energy: -165.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2039.522900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.522900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.522900 (E_RNA)
where:
Base-Base interactions energy: -1402.376
where: short stacking energy: -584.698
Base-Backbone interact. energy: -7.795
local terms energy: -629.351473
where:
bonds (distance) C4'-P energy: -112.392
bonds (distance) P-C4' energy: -122.165
flat angles C4'-P-C4' energy: -134.902
flat angles P-C4'-P energy: -84.647
tors. eta vs tors. theta energy: -175.246
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: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2013.833399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.833399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.833399 (E_RNA)
where:
Base-Base interactions energy: -1354.510
where: short stacking energy: -569.918
Base-Backbone interact. energy: -3.573
local terms energy: -655.750140
where:
bonds (distance) C4'-P energy: -114.194
bonds (distance) P-C4' energy: -134.210
flat angles C4'-P-C4' energy: -132.971
flat angles P-C4'-P energy: -91.919
tors. eta vs tors. theta energy: -182.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1834.642426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.642426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.642426 (E_RNA)
where:
Base-Base interactions energy: -1255.690
where: short stacking energy: -512.997
Base-Backbone interact. energy: 1.332
local terms energy: -580.283507
where:
bonds (distance) C4'-P energy: -109.056
bonds (distance) P-C4' energy: -112.119
flat angles C4'-P-C4' energy: -137.904
flat angles P-C4'-P energy: -86.445
tors. eta vs tors. theta energy: -134.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1723.074706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.074706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.074706 (E_RNA)
where:
Base-Base interactions energy: -1170.591
where: short stacking energy: -487.366
Base-Backbone interact. energy: -1.496
local terms energy: -550.987739
where:
bonds (distance) C4'-P energy: -94.929
bonds (distance) P-C4' energy: -116.843
flat angles C4'-P-C4' energy: -122.479
flat angles P-C4'-P energy: -78.924
tors. eta vs tors. theta energy: -137.813
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: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1590.554384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.554384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.554384 (E_RNA)
where:
Base-Base interactions energy: -1056.161
where: short stacking energy: -430.040
Base-Backbone interact. energy: 0.681
local terms energy: -535.074213
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -117.545
flat angles C4'-P-C4' energy: -125.315
flat angles P-C4'-P energy: -76.677
tors. eta vs tors. theta energy: -109.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1325.744919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.744919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.744919 (E_RNA)
where:
Base-Base interactions energy: -839.403
where: short stacking energy: -364.160
Base-Backbone interact. energy: -1.403
local terms energy: -484.938020
where:
bonds (distance) C4'-P energy: -104.649
bonds (distance) P-C4' energy: -114.821
flat angles C4'-P-C4' energy: -112.272
flat angles P-C4'-P energy: -70.906
tors. eta vs tors. theta energy: -82.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -855.567642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.567642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.567642 (E_RNA)
where:
Base-Base interactions energy: -476.097
where: short stacking energy: -230.419
Base-Backbone interact. energy: 3.554
local terms energy: -383.024951
where:
bonds (distance) C4'-P energy: -85.480
bonds (distance) P-C4' energy: -105.080
flat angles C4'-P-C4' energy: -104.636
flat angles P-C4'-P energy: -62.255
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -701.996979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.996979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.996979 (E_RNA)
where:
Base-Base interactions energy: -351.109
where: short stacking energy: -204.983
Base-Backbone interact. energy: -1.227
local terms energy: -349.661576
where:
bonds (distance) C4'-P energy: -103.041
bonds (distance) P-C4' energy: -104.169
flat angles C4'-P-C4' energy: -92.692
flat angles P-C4'-P energy: -55.578
tors. eta vs tors. theta energy: 5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -453.725696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.725696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.725696 (E_RNA)
where:
Base-Base interactions energy: -142.803
where: short stacking energy: -129.412
Base-Backbone interact. energy: 6.180
local terms energy: -317.102955
where:
bonds (distance) C4'-P energy: -85.579
bonds (distance) P-C4' energy: -107.824
flat angles C4'-P-C4' energy: -93.213
flat angles P-C4'-P energy: -51.631
tors. eta vs tors. theta energy: 21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2224.165198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.165198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.165198 (E_RNA)
where:
Base-Base interactions energy: -1575.204
where: short stacking energy: -594.661
Base-Backbone interact. energy: -1.344
local terms energy: -647.617075
where:
bonds (distance) C4'-P energy: -123.983
bonds (distance) P-C4' energy: -122.519
flat angles C4'-P-C4' energy: -145.011
flat angles P-C4'-P energy: -87.710
tors. eta vs tors. theta energy: -168.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2096.222413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.222413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.222413 (E_RNA)
where:
Base-Base interactions energy: -1434.916
where: short stacking energy: -588.989
Base-Backbone interact. energy: -0.795
local terms energy: -660.511302
where:
bonds (distance) C4'-P energy: -116.699
bonds (distance) P-C4' energy: -127.825
flat angles C4'-P-C4' energy: -143.534
flat angles P-C4'-P energy: -93.674
tors. eta vs tors. theta energy: -178.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1990.237090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.237090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.237090 (E_RNA)
where:
Base-Base interactions energy: -1328.811
where: short stacking energy: -571.107
Base-Backbone interact. energy: -1.638
local terms energy: -659.788076
where:
bonds (distance) C4'-P energy: -118.996
bonds (distance) P-C4' energy: -119.675
flat angles C4'-P-C4' energy: -140.321
flat angles P-C4'-P energy: -100.160
tors. eta vs tors. theta energy: -180.636
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1863.874356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.874356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.874356 (E_RNA)
where:
Base-Base interactions energy: -1282.377
where: short stacking energy: -510.961
Base-Backbone interact. energy: -4.186
local terms energy: -577.311184
where:
bonds (distance) C4'-P energy: -91.220
bonds (distance) P-C4' energy: -112.677
flat angles C4'-P-C4' energy: -141.461
flat angles P-C4'-P energy: -87.627
tors. eta vs tors. theta energy: -144.326
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: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1663.535711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.535711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.535711 (E_RNA)
where:
Base-Base interactions energy: -1096.203
where: short stacking energy: -470.727
Base-Backbone interact. energy: -2.829
local terms energy: -564.503413
where:
bonds (distance) C4'-P energy: -120.590
bonds (distance) P-C4' energy: -108.289
flat angles C4'-P-C4' energy: -118.260
flat angles P-C4'-P energy: -79.172
tors. eta vs tors. theta energy: -138.192
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: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1579.490169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.490169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.490169 (E_RNA)
where:
Base-Base interactions energy: -1073.820
where: short stacking energy: -446.794
Base-Backbone interact. energy: 1.801
local terms energy: -507.470684
where:
bonds (distance) C4'-P energy: -103.306
bonds (distance) P-C4' energy: -109.743
flat angles C4'-P-C4' energy: -112.834
flat angles P-C4'-P energy: -65.197
tors. eta vs tors. theta energy: -116.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1358.299306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.299306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.299306 (E_RNA)
where:
Base-Base interactions energy: -866.046
where: short stacking energy: -379.240
Base-Backbone interact. energy: -1.413
local terms energy: -490.840906
where:
bonds (distance) C4'-P energy: -89.610
bonds (distance) P-C4' energy: -101.674
flat angles C4'-P-C4' energy: -122.123
flat angles P-C4'-P energy: -84.089
tors. eta vs tors. theta energy: -93.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -812.319451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.319451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.319451 (E_RNA)
where:
Base-Base interactions energy: -418.643
where: short stacking energy: -217.010
Base-Backbone interact. energy: -2.126
local terms energy: -391.550633
where:
bonds (distance) C4'-P energy: -107.934
bonds (distance) P-C4' energy: -112.706
flat angles C4'-P-C4' energy: -100.405
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -749.989657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.989657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.989657 (E_RNA)
where:
Base-Base interactions energy: -365.562
where: short stacking energy: -212.763
Base-Backbone interact. energy: 3.541
local terms energy: -387.968280
where:
bonds (distance) C4'-P energy: -114.594
bonds (distance) P-C4' energy: -110.603
flat angles C4'-P-C4' energy: -87.296
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -459.944890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.944890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.944890 (E_RNA)
where:
Base-Base interactions energy: -153.379
where: short stacking energy: -107.017
Base-Backbone interact. energy: -1.147
local terms energy: -305.418607
where:
bonds (distance) C4'-P energy: -92.436
bonds (distance) P-C4' energy: -106.094
flat angles C4'-P-C4' energy: -93.731
flat angles P-C4'-P energy: -60.252
tors. eta vs tors. theta energy: 47.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2222.045822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.045822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.045822 (E_RNA)
where:
Base-Base interactions energy: -1555.179
where: short stacking energy: -588.480
Base-Backbone interact. energy: -4.719
local terms energy: -662.147611
where:
bonds (distance) C4'-P energy: -122.257
bonds (distance) P-C4' energy: -122.467
flat angles C4'-P-C4' energy: -142.262
flat angles P-C4'-P energy: -95.571
tors. eta vs tors. theta energy: -179.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2086.369023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.369023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.369023 (E_RNA)
where:
Base-Base interactions energy: -1444.562
where: short stacking energy: -596.689
Base-Backbone interact. energy: -1.464
local terms energy: -640.342674
where:
bonds (distance) C4'-P energy: -127.899
bonds (distance) P-C4' energy: -111.724
flat angles C4'-P-C4' energy: -129.936
flat angles P-C4'-P energy: -88.622
tors. eta vs tors. theta energy: -182.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1998.912725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.912725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.912725 (E_RNA)
where:
Base-Base interactions energy: -1343.976
where: short stacking energy: -552.848
Base-Backbone interact. energy: -3.250
local terms energy: -651.687022
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -130.357
flat angles C4'-P-C4' energy: -138.635
flat angles P-C4'-P energy: -91.501
tors. eta vs tors. theta energy: -172.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1789.789309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.789309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.789309 (E_RNA)
where:
Base-Base interactions energy: -1208.501
where: short stacking energy: -485.371
Base-Backbone interact. energy: 0.744
local terms energy: -582.032465
where:
bonds (distance) C4'-P energy: -105.401
bonds (distance) P-C4' energy: -126.073
flat angles C4'-P-C4' energy: -129.062
flat angles P-C4'-P energy: -93.868
tors. eta vs tors. theta energy: -127.629
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: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1748.179425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.179425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.179425 (E_RNA)
where:
Base-Base interactions energy: -1161.732
where: short stacking energy: -469.909
Base-Backbone interact. energy: 0.516
local terms energy: -586.962821
where:
bonds (distance) C4'-P energy: -130.410
bonds (distance) P-C4' energy: -108.635
flat angles C4'-P-C4' energy: -123.660
flat angles P-C4'-P energy: -85.891
tors. eta vs tors. theta energy: -138.367
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: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1584.795390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.795390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.795390 (E_RNA)
where:
Base-Base interactions energy: -1034.483
where: short stacking energy: -442.998
Base-Backbone interact. energy: 2.025
local terms energy: -552.337230
where:
bonds (distance) C4'-P energy: -114.547
bonds (distance) P-C4' energy: -115.142
flat angles C4'-P-C4' energy: -127.915
flat angles P-C4'-P energy: -83.702
tors. eta vs tors. theta energy: -111.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1321.416265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.416265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.416265 (E_RNA)
where:
Base-Base interactions energy: -853.742
where: short stacking energy: -365.981
Base-Backbone interact. energy: 3.530
local terms energy: -471.204417
where:
bonds (distance) C4'-P energy: -114.730
bonds (distance) P-C4' energy: -97.415
flat angles C4'-P-C4' energy: -101.654
flat angles P-C4'-P energy: -76.401
tors. eta vs tors. theta energy: -81.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -810.546405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.546405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.546405 (E_RNA)
where:
Base-Base interactions energy: -446.823
where: short stacking energy: -225.327
Base-Backbone interact. energy: -0.237
local terms energy: -363.485963
where:
bonds (distance) C4'-P energy: -95.236
bonds (distance) P-C4' energy: -110.959
flat angles C4'-P-C4' energy: -69.596
flat angles P-C4'-P energy: -60.825
tors. eta vs tors. theta energy: -26.870
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: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -775.070311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.070311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.070311 (E_RNA)
where:
Base-Base interactions energy: -400.031
where: short stacking energy: -203.063
Base-Backbone interact. energy: 0.406
local terms energy: -375.444864
where:
bonds (distance) C4'-P energy: -92.106
bonds (distance) P-C4' energy: -116.744
flat angles C4'-P-C4' energy: -103.746
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: -13.756
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: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -456.208970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.208970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.208970 (E_RNA)
where:
Base-Base interactions energy: -148.355
where: short stacking energy: -110.154
Base-Backbone interact. energy: -2.122
local terms energy: -305.732340
where:
bonds (distance) C4'-P energy: -104.027
bonds (distance) P-C4' energy: -92.986
flat angles C4'-P-C4' energy: -77.563
flat angles P-C4'-P energy: -50.466
tors. eta vs tors. theta energy: 19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2222.577493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.577493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.577493 (E_RNA)
where:
Base-Base interactions energy: -1565.600
where: short stacking energy: -610.367
Base-Backbone interact. energy: -0.992
local terms energy: -655.985543
where:
bonds (distance) C4'-P energy: -129.595
bonds (distance) P-C4' energy: -126.707
flat angles C4'-P-C4' energy: -140.471
flat angles P-C4'-P energy: -88.845
tors. eta vs tors. theta energy: -170.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2062.931038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.931038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.931038 (E_RNA)
where:
Base-Base interactions energy: -1393.870
where: short stacking energy: -578.071
Base-Backbone interact. energy: -0.425
local terms energy: -668.636149
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -128.137
flat angles C4'-P-C4' energy: -142.775
flat angles P-C4'-P energy: -103.528
tors. eta vs tors. theta energy: -173.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2021.414903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.414903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.414903 (E_RNA)
where:
Base-Base interactions energy: -1366.889
where: short stacking energy: -598.795
Base-Backbone interact. energy: 1.766
local terms energy: -656.291290
where:
bonds (distance) C4'-P energy: -113.958
bonds (distance) P-C4' energy: -122.299
flat angles C4'-P-C4' energy: -138.923
flat angles P-C4'-P energy: -95.675
tors. eta vs tors. theta energy: -185.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1781.606526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.606526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.606526 (E_RNA)
where:
Base-Base interactions energy: -1174.452
where: short stacking energy: -514.686
Base-Backbone interact. energy: -1.921
local terms energy: -605.233404
where:
bonds (distance) C4'-P energy: -112.904
bonds (distance) P-C4' energy: -132.692
flat angles C4'-P-C4' energy: -129.105
flat angles P-C4'-P energy: -77.401
tors. eta vs tors. theta energy: -153.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1780.795245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.795245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.795245 (E_RNA)
where:
Base-Base interactions energy: -1175.794
where: short stacking energy: -464.321
Base-Backbone interact. energy: -1.883
local terms energy: -603.118526
where:
bonds (distance) C4'-P energy: -127.615
bonds (distance) P-C4' energy: -129.911
flat angles C4'-P-C4' energy: -129.065
flat angles P-C4'-P energy: -83.433
tors. eta vs tors. theta energy: -133.095
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: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1578.650041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.650041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.650041 (E_RNA)
where:
Base-Base interactions energy: -1062.718
where: short stacking energy: -458.117
Base-Backbone interact. energy: -2.899
local terms energy: -513.032942
where:
bonds (distance) C4'-P energy: -110.503
bonds (distance) P-C4' energy: -91.878
flat angles C4'-P-C4' energy: -119.650
flat angles P-C4'-P energy: -66.953
tors. eta vs tors. theta energy: -124.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1284.733118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.733118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.733118 (E_RNA)
where:
Base-Base interactions energy: -816.093
where: short stacking energy: -366.368
Base-Backbone interact. energy: -1.165
local terms energy: -467.475180
where:
bonds (distance) C4'-P energy: -117.228
bonds (distance) P-C4' energy: -97.782
flat angles C4'-P-C4' energy: -111.580
flat angles P-C4'-P energy: -69.020
tors. eta vs tors. theta energy: -71.866
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: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -800.671825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.671825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.671825 (E_RNA)
where:
Base-Base interactions energy: -415.771
where: short stacking energy: -214.555
Base-Backbone interact. energy: 5.524
local terms energy: -390.424985
where:
bonds (distance) C4'-P energy: -109.214
bonds (distance) P-C4' energy: -118.861
flat angles C4'-P-C4' energy: -89.027
flat angles P-C4'-P energy: -53.035
tors. eta vs tors. theta energy: -20.288
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: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -716.631657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.631657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.631657 (E_RNA)
where:
Base-Base interactions energy: -365.876
where: short stacking energy: -202.003
Base-Backbone interact. energy: 2.646
local terms energy: -353.401440
where:
bonds (distance) C4'-P energy: -103.808
bonds (distance) P-C4' energy: -108.637
flat angles C4'-P-C4' energy: -73.490
flat angles P-C4'-P energy: -57.310
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -466.442204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.442204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.442204 (E_RNA)
where:
Base-Base interactions energy: -158.263
where: short stacking energy: -129.865
Base-Backbone interact. energy: 0.185
local terms energy: -308.364216
where:
bonds (distance) C4'-P energy: -94.409
bonds (distance) P-C4' energy: -109.706
flat angles C4'-P-C4' energy: -80.041
flat angles P-C4'-P energy: -49.865
tors. eta vs tors. theta energy: 25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2214.633235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.633235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.633235 (E_RNA)
where:
Base-Base interactions energy: -1552.228
where: short stacking energy: -570.793
Base-Backbone interact. energy: -0.885
local terms energy: -661.520171
where:
bonds (distance) C4'-P energy: -119.423
bonds (distance) P-C4' energy: -134.643
flat angles C4'-P-C4' energy: -139.964
flat angles P-C4'-P energy: -92.753
tors. eta vs tors. theta energy: -174.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2048.030577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.030577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.030577 (E_RNA)
where:
Base-Base interactions energy: -1423.568
where: short stacking energy: -578.638
Base-Backbone interact. energy: -4.019
local terms energy: -620.443348
where:
bonds (distance) C4'-P energy: -112.968
bonds (distance) P-C4' energy: -120.077
flat angles C4'-P-C4' energy: -125.353
flat angles P-C4'-P energy: -87.733
tors. eta vs tors. theta energy: -174.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2013.891453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.891453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.891453 (E_RNA)
where:
Base-Base interactions energy: -1363.100
where: short stacking energy: -572.922
Base-Backbone interact. energy: -4.092
local terms energy: -646.700155
where:
bonds (distance) C4'-P energy: -118.435
bonds (distance) P-C4' energy: -136.659
flat angles C4'-P-C4' energy: -128.250
flat angles P-C4'-P energy: -85.717
tors. eta vs tors. theta energy: -177.639
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: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1774.275491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.275491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.275491 (E_RNA)
where:
Base-Base interactions energy: -1201.858
where: short stacking energy: -508.688
Base-Backbone interact. energy: -1.396
local terms energy: -571.021023
where:
bonds (distance) C4'-P energy: -102.538
bonds (distance) P-C4' energy: -111.182
flat angles C4'-P-C4' energy: -134.547
flat angles P-C4'-P energy: -83.870
tors. eta vs tors. theta energy: -138.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1803.833251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.833251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.833251 (E_RNA)
where:
Base-Base interactions energy: -1239.972
where: short stacking energy: -503.333
Base-Backbone interact. energy: 3.402
local terms energy: -567.262924
where:
bonds (distance) C4'-P energy: -123.406
bonds (distance) P-C4' energy: -97.744
flat angles C4'-P-C4' energy: -138.468
flat angles P-C4'-P energy: -70.397
tors. eta vs tors. theta energy: -137.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1608.790680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.790680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.790680 (E_RNA)
where:
Base-Base interactions energy: -1085.174
where: short stacking energy: -469.602
Base-Backbone interact. energy: -1.272
local terms energy: -522.344414
where:
bonds (distance) C4'-P energy: -121.590
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -113.762
flat angles P-C4'-P energy: -74.965
tors. eta vs tors. theta energy: -119.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1298.368340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.368340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.368340 (E_RNA)
where:
Base-Base interactions energy: -807.891
where: short stacking energy: -373.883
Base-Backbone interact. energy: -1.853
local terms energy: -488.624168
where:
bonds (distance) C4'-P energy: -105.244
bonds (distance) P-C4' energy: -119.145
flat angles C4'-P-C4' energy: -106.746
flat angles P-C4'-P energy: -71.255
tors. eta vs tors. theta energy: -86.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -836.505721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.505721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.505721 (E_RNA)
where:
Base-Base interactions energy: -421.697
where: short stacking energy: -212.133
Base-Backbone interact. energy: -4.185
local terms energy: -410.624344
where:
bonds (distance) C4'-P energy: -109.671
bonds (distance) P-C4' energy: -106.534
flat angles C4'-P-C4' energy: -114.927
flat angles P-C4'-P energy: -61.377
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -728.883152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.883152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.883152 (E_RNA)
where:
Base-Base interactions energy: -333.118
where: short stacking energy: -175.971
Base-Backbone interact. energy: -1.426
local terms energy: -394.339433
where:
bonds (distance) C4'-P energy: -111.414
bonds (distance) P-C4' energy: -112.270
flat angles C4'-P-C4' energy: -87.480
flat angles P-C4'-P energy: -72.266
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -479.811157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.811157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.811157 (E_RNA)
where:
Base-Base interactions energy: -148.942
where: short stacking energy: -139.825
Base-Backbone interact. energy: 2.580
local terms energy: -333.448770
where:
bonds (distance) C4'-P energy: -97.950
bonds (distance) P-C4' energy: -100.771
flat angles C4'-P-C4' energy: -96.154
flat angles P-C4'-P energy: -51.412
tors. eta vs tors. theta energy: 12.838
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: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2224.766954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.766954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.766954 (E_RNA)
where:
Base-Base interactions energy: -1561.430
where: short stacking energy: -604.409
Base-Backbone interact. energy: 0.281
local terms energy: -663.617949
where:
bonds (distance) C4'-P energy: -122.073
bonds (distance) P-C4' energy: -140.258
flat angles C4'-P-C4' energy: -132.572
flat angles P-C4'-P energy: -102.721
tors. eta vs tors. theta energy: -165.993
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: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2057.766266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.766266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.766266 (E_RNA)
where:
Base-Base interactions energy: -1427.476
where: short stacking energy: -585.516
Base-Backbone interact. energy: -2.486
local terms energy: -627.804139
where:
bonds (distance) C4'-P energy: -126.299
bonds (distance) P-C4' energy: -123.277
flat angles C4'-P-C4' energy: -122.969
flat angles P-C4'-P energy: -85.093
tors. eta vs tors. theta energy: -170.165
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: 133
Temperature: 1.000000
Total energy: -2025.696134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.696134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.696134 (E_RNA)
where:
Base-Base interactions energy: -1365.427
where: short stacking energy: -595.063
Base-Backbone interact. energy: 0.814
local terms energy: -661.082609
where:
bonds (distance) C4'-P energy: -113.900
bonds (distance) P-C4' energy: -119.491
flat angles C4'-P-C4' energy: -138.373
flat angles P-C4'-P energy: -96.755
tors. eta vs tors. theta energy: -192.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1842.564336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.564336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.564336 (E_RNA)
where:
Base-Base interactions energy: -1243.171
where: short stacking energy: -504.297
Base-Backbone interact. energy: -1.229
local terms energy: -598.164106
where:
bonds (distance) C4'-P energy: -104.438
bonds (distance) P-C4' energy: -122.425
flat angles C4'-P-C4' energy: -122.572
flat angles P-C4'-P energy: -100.472
tors. eta vs tors. theta energy: -148.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1728.023032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.023032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.023032 (E_RNA)
where:
Base-Base interactions energy: -1156.556
where: short stacking energy: -490.328
Base-Backbone interact. energy: -2.763
local terms energy: -568.704874
where:
bonds (distance) C4'-P energy: -117.098
bonds (distance) P-C4' energy: -111.578
flat angles C4'-P-C4' energy: -115.190
flat angles P-C4'-P energy: -67.990
tors. eta vs tors. theta energy: -156.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1581.375262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.375262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.375262 (E_RNA)
where:
Base-Base interactions energy: -1039.709
where: short stacking energy: -419.146
Base-Backbone interact. energy: 1.513
local terms energy: -543.179701
where:
bonds (distance) C4'-P energy: -119.498
bonds (distance) P-C4' energy: -116.167
flat angles C4'-P-C4' energy: -122.640
flat angles P-C4'-P energy: -73.671
tors. eta vs tors. theta energy: -111.205
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: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1379.157013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.157013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.157013 (E_RNA)
where:
Base-Base interactions energy: -902.640
where: short stacking energy: -380.846
Base-Backbone interact. energy: -1.469
local terms energy: -475.048811
where:
bonds (distance) C4'-P energy: -104.538
bonds (distance) P-C4' energy: -89.929
flat angles C4'-P-C4' energy: -123.386
flat angles P-C4'-P energy: -76.268
tors. eta vs tors. theta energy: -80.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -738.862341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.862341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.862341 (E_RNA)
where:
Base-Base interactions energy: -377.150
where: short stacking energy: -212.551
Base-Backbone interact. energy: -1.073
local terms energy: -360.639530
where:
bonds (distance) C4'-P energy: -96.124
bonds (distance) P-C4' energy: -92.425
flat angles C4'-P-C4' energy: -95.370
flat angles P-C4'-P energy: -65.770
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -767.078679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.078679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.078679 (E_RNA)
where:
Base-Base interactions energy: -388.200
where: short stacking energy: -205.691
Base-Backbone interact. energy: -6.593
local terms energy: -372.286539
where:
bonds (distance) C4'-P energy: -108.810
bonds (distance) P-C4' energy: -98.536
flat angles C4'-P-C4' energy: -90.686
flat angles P-C4'-P energy: -66.422
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -443.998207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.998207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.998207 (E_RNA)
where:
Base-Base interactions energy: -139.039
where: short stacking energy: -119.663
Base-Backbone interact. energy: 6.023
local terms energy: -310.981921
where:
bonds (distance) C4'-P energy: -99.281
bonds (distance) P-C4' energy: -94.425
flat angles C4'-P-C4' energy: -91.393
flat angles P-C4'-P energy: -48.055
tors. eta vs tors. theta energy: 22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2228.519842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.519842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.519842 (E_RNA)
where:
Base-Base interactions energy: -1560.677
where: short stacking energy: -611.245
Base-Backbone interact. energy: -1.125
local terms energy: -666.718057
where:
bonds (distance) C4'-P energy: -119.367
bonds (distance) P-C4' energy: -132.522
flat angles C4'-P-C4' energy: -145.493
flat angles P-C4'-P energy: -94.989
tors. eta vs tors. theta energy: -174.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2068.530357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.530357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.530357 (E_RNA)
where:
Base-Base interactions energy: -1427.260
where: short stacking energy: -597.256
Base-Backbone interact. energy: -1.732
local terms energy: -639.538497
where:
bonds (distance) C4'-P energy: -129.428
bonds (distance) P-C4' energy: -128.688
flat angles C4'-P-C4' energy: -131.747
flat angles P-C4'-P energy: -73.948
tors. eta vs tors. theta energy: -175.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2020.434547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.434547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.434547 (E_RNA)
where:
Base-Base interactions energy: -1358.938
where: short stacking energy: -595.442
Base-Backbone interact. energy: 2.136
local terms energy: -663.632466
where:
bonds (distance) C4'-P energy: -119.291
bonds (distance) P-C4' energy: -117.483
flat angles C4'-P-C4' energy: -143.510
flat angles P-C4'-P energy: -101.032
tors. eta vs tors. theta energy: -182.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1855.765180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.765180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.765180 (E_RNA)
where:
Base-Base interactions energy: -1248.372
where: short stacking energy: -530.335
Base-Backbone interact. energy: -3.091
local terms energy: -604.301972
where:
bonds (distance) C4'-P energy: -105.287
bonds (distance) P-C4' energy: -117.502
flat angles C4'-P-C4' energy: -139.449
flat angles P-C4'-P energy: -84.893
tors. eta vs tors. theta energy: -157.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1749.877373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.877373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.877373 (E_RNA)
where:
Base-Base interactions energy: -1175.492
where: short stacking energy: -513.742
Base-Backbone interact. energy: 9.004
local terms energy: -583.389362
where:
bonds (distance) C4'-P energy: -111.689
bonds (distance) P-C4' energy: -106.209
flat angles C4'-P-C4' energy: -134.761
flat angles P-C4'-P energy: -71.546
tors. eta vs tors. theta energy: -159.185
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: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1568.002172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.002172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.002172 (E_RNA)
where:
Base-Base interactions energy: -1018.691
where: short stacking energy: -444.384
Base-Backbone interact. energy: 3.219
local terms energy: -552.530524
where:
bonds (distance) C4'-P energy: -117.411
bonds (distance) P-C4' energy: -103.410
flat angles C4'-P-C4' energy: -123.322
flat angles P-C4'-P energy: -84.112
tors. eta vs tors. theta energy: -124.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1372.283337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.283337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.283337 (E_RNA)
where:
Base-Base interactions energy: -880.849
where: short stacking energy: -377.289
Base-Backbone interact. energy: 0.281
local terms energy: -491.714769
where:
bonds (distance) C4'-P energy: -106.500
bonds (distance) P-C4' energy: -102.179
flat angles C4'-P-C4' energy: -113.254
flat angles P-C4'-P energy: -83.416
tors. eta vs tors. theta energy: -86.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -748.808384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.808384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.808384 (E_RNA)
where:
Base-Base interactions energy: -351.487
where: short stacking energy: -212.262
Base-Backbone interact. energy: -0.088
local terms energy: -397.233649
where:
bonds (distance) C4'-P energy: -109.585
bonds (distance) P-C4' energy: -119.454
flat angles C4'-P-C4' energy: -83.859
flat angles P-C4'-P energy: -79.483
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: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -689.491489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.491489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.491489 (E_RNA)
where:
Base-Base interactions energy: -369.914
where: short stacking energy: -179.952
Base-Backbone interact. energy: -1.293
local terms energy: -318.284130
where:
bonds (distance) C4'-P energy: -90.304
bonds (distance) P-C4' energy: -110.182
flat angles C4'-P-C4' energy: -73.169
flat angles P-C4'-P energy: -47.487
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: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -430.224924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.224924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.224924 (E_RNA)
where:
Base-Base interactions energy: -132.207
where: short stacking energy: -114.860
Base-Backbone interact. energy: 4.830
local terms energy: -302.847742
where:
bonds (distance) C4'-P energy: -88.655
bonds (distance) P-C4' energy: -94.336
flat angles C4'-P-C4' energy: -80.038
flat angles P-C4'-P energy: -64.452
tors. eta vs tors. theta energy: 24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2200.441424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.441424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.441424 (E_RNA)
where:
Base-Base interactions energy: -1572.767
where: short stacking energy: -599.257
Base-Backbone interact. energy: -3.863
local terms energy: -623.811085
where:
bonds (distance) C4'-P energy: -119.466
bonds (distance) P-C4' energy: -104.014
flat angles C4'-P-C4' energy: -139.386
flat angles P-C4'-P energy: -81.823
tors. eta vs tors. theta energy: -179.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2058.669126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.669126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.669126 (E_RNA)
where:
Base-Base interactions energy: -1407.462
where: short stacking energy: -619.495
Base-Backbone interact. energy: -0.879
local terms energy: -650.327989
where:
bonds (distance) C4'-P energy: -116.257
bonds (distance) P-C4' energy: -117.604
flat angles C4'-P-C4' energy: -142.426
flat angles P-C4'-P energy: -88.494
tors. eta vs tors. theta energy: -185.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2036.418667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.418667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.418667 (E_RNA)
where:
Base-Base interactions energy: -1400.980
where: short stacking energy: -553.965
Base-Backbone interact. energy: -4.802
local terms energy: -630.636643
where:
bonds (distance) C4'-P energy: -101.941
bonds (distance) P-C4' energy: -118.211
flat angles C4'-P-C4' energy: -140.023
flat angles P-C4'-P energy: -95.498
tors. eta vs tors. theta energy: -174.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1855.608643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.608643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.608643 (E_RNA)
where:
Base-Base interactions energy: -1277.213
where: short stacking energy: -525.157
Base-Backbone interact. energy: -3.295
local terms energy: -575.100492
where:
bonds (distance) C4'-P energy: -104.231
bonds (distance) P-C4' energy: -116.032
flat angles C4'-P-C4' energy: -127.803
flat angles P-C4'-P energy: -86.823
tors. eta vs tors. theta energy: -140.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1733.731627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.731627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.731627 (E_RNA)
where:
Base-Base interactions energy: -1184.525
where: short stacking energy: -503.153
Base-Backbone interact. energy: 4.313
local terms energy: -553.520018
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -102.055
flat angles C4'-P-C4' energy: -125.038
flat angles P-C4'-P energy: -87.935
tors. eta vs tors. theta energy: -140.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1546.301604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.301604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.301604 (E_RNA)
where:
Base-Base interactions energy: -1036.768
where: short stacking energy: -427.593
Base-Backbone interact. energy: 0.179
local terms energy: -509.712700
where:
bonds (distance) C4'-P energy: -104.811
bonds (distance) P-C4' energy: -100.273
flat angles C4'-P-C4' energy: -120.560
flat angles P-C4'-P energy: -73.864
tors. eta vs tors. theta energy: -110.205
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: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1379.838137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.838137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.838137 (E_RNA)
where:
Base-Base interactions energy: -917.714
where: short stacking energy: -378.492
Base-Backbone interact. energy: -2.377
local terms energy: -459.747181
where:
bonds (distance) C4'-P energy: -96.761
bonds (distance) P-C4' energy: -86.526
flat angles C4'-P-C4' energy: -123.094
flat angles P-C4'-P energy: -57.535
tors. eta vs tors. theta energy: -95.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -792.647021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.647021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.647021 (E_RNA)
where:
Base-Base interactions energy: -399.785
where: short stacking energy: -228.140
Base-Backbone interact. energy: -1.455
local terms energy: -391.407149
where:
bonds (distance) C4'-P energy: -94.602
bonds (distance) P-C4' energy: -124.377
flat angles C4'-P-C4' energy: -99.247
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -28.945
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: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -629.468757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.468757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.468757 (E_RNA)
where:
Base-Base interactions energy: -288.220
where: short stacking energy: -143.471
Base-Backbone interact. energy: -4.309
local terms energy: -336.939738
where:
bonds (distance) C4'-P energy: -120.766
bonds (distance) P-C4' energy: -103.834
flat angles C4'-P-C4' energy: -89.292
flat angles P-C4'-P energy: -41.905
tors. eta vs tors. theta energy: 18.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -456.745954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.745954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.745954 (E_RNA)
where:
Base-Base interactions energy: -128.805
where: short stacking energy: -104.044
Base-Backbone interact. energy: 3.218
local terms energy: -331.159862
where:
bonds (distance) C4'-P energy: -99.762
bonds (distance) P-C4' energy: -120.303
flat angles C4'-P-C4' energy: -82.799
flat angles P-C4'-P energy: -49.297
tors. eta vs tors. theta energy: 21.000
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: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2219.604784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.604784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.604784 (E_RNA)
where:
Base-Base interactions energy: -1567.951
where: short stacking energy: -599.966
Base-Backbone interact. energy: -0.025
local terms energy: -651.629172
where:
bonds (distance) C4'-P energy: -123.369
bonds (distance) P-C4' energy: -120.538
flat angles C4'-P-C4' energy: -136.499
flat angles P-C4'-P energy: -91.135
tors. eta vs tors. theta energy: -180.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2063.204949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.204949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.204949 (E_RNA)
where:
Base-Base interactions energy: -1386.277
where: short stacking energy: -602.776
Base-Backbone interact. energy: -2.365
local terms energy: -674.562836
where:
bonds (distance) C4'-P energy: -133.065
bonds (distance) P-C4' energy: -117.240
flat angles C4'-P-C4' energy: -147.368
flat angles P-C4'-P energy: -95.766
tors. eta vs tors. theta energy: -181.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2020.280680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.280680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.280680 (E_RNA)
where:
Base-Base interactions energy: -1393.698
where: short stacking energy: -557.483
Base-Backbone interact. energy: -2.362
local terms energy: -624.220595
where:
bonds (distance) C4'-P energy: -119.390
bonds (distance) P-C4' energy: -120.829
flat angles C4'-P-C4' energy: -132.715
flat angles P-C4'-P energy: -82.699
tors. eta vs tors. theta energy: -168.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1857.056447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.056447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.056447 (E_RNA)
where:
Base-Base interactions energy: -1284.162
where: short stacking energy: -509.782
Base-Backbone interact. energy: -0.572
local terms energy: -572.322197
where:
bonds (distance) C4'-P energy: -96.096
bonds (distance) P-C4' energy: -119.194
flat angles C4'-P-C4' energy: -121.485
flat angles P-C4'-P energy: -95.837
tors. eta vs tors. theta energy: -139.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1756.340902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.340902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.340902 (E_RNA)
where:
Base-Base interactions energy: -1188.769
where: short stacking energy: -510.903
Base-Backbone interact. energy: 4.686
local terms energy: -572.258566
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -110.185
flat angles C4'-P-C4' energy: -113.674
flat angles P-C4'-P energy: -83.761
tors. eta vs tors. theta energy: -153.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1560.479675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.479675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.479675 (E_RNA)
where:
Base-Base interactions energy: -1038.459
where: short stacking energy: -428.738
Base-Backbone interact. energy: -1.773
local terms energy: -520.247320
where:
bonds (distance) C4'-P energy: -121.890
bonds (distance) P-C4' energy: -95.527
flat angles C4'-P-C4' energy: -122.334
flat angles P-C4'-P energy: -70.633
tors. eta vs tors. theta energy: -109.862
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: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1380.559755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.559755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.559755 (E_RNA)
where:
Base-Base interactions energy: -886.320
where: short stacking energy: -398.433
Base-Backbone interact. energy: -2.007
local terms energy: -492.233111
where:
bonds (distance) C4'-P energy: -118.209
bonds (distance) P-C4' energy: -105.142
flat angles C4'-P-C4' energy: -98.459
flat angles P-C4'-P energy: -68.798
tors. eta vs tors. theta energy: -101.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -806.354645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.354645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.354645 (E_RNA)
where:
Base-Base interactions energy: -381.758
where: short stacking energy: -223.553
Base-Backbone interact. energy: -0.793
local terms energy: -423.803619
where:
bonds (distance) C4'-P energy: -113.336
bonds (distance) P-C4' energy: -105.962
flat angles C4'-P-C4' energy: -102.768
flat angles P-C4'-P energy: -67.296
tors. eta vs tors. theta energy: -34.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -592.734788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.734788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.734788 (E_RNA)
where:
Base-Base interactions energy: -233.215
where: short stacking energy: -147.525
Base-Backbone interact. energy: -1.345
local terms energy: -358.175223
where:
bonds (distance) C4'-P energy: -105.739
bonds (distance) P-C4' energy: -104.331
flat angles C4'-P-C4' energy: -93.269
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -448.862739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.862739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.862739 (E_RNA)
where:
Base-Base interactions energy: -138.471
where: short stacking energy: -121.612
Base-Backbone interact. energy: 0.537
local terms energy: -310.928791
where:
bonds (distance) C4'-P energy: -90.050
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -85.700
flat angles P-C4'-P energy: -55.515
tors. eta vs tors. theta energy: 26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2242.231787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.231787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.231787 (E_RNA)
where:
Base-Base interactions energy: -1570.665
where: short stacking energy: -602.785
Base-Backbone interact. energy: 0.917
local terms energy: -672.483399
where:
bonds (distance) C4'-P energy: -116.684
bonds (distance) P-C4' energy: -132.283
flat angles C4'-P-C4' energy: -142.079
flat angles P-C4'-P energy: -98.242
tors. eta vs tors. theta energy: -183.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2101.948209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.948209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.948209 (E_RNA)
where:
Base-Base interactions energy: -1450.544
where: short stacking energy: -619.136
Base-Backbone interact. energy: 2.176
local terms energy: -653.580163
where:
bonds (distance) C4'-P energy: -113.043
bonds (distance) P-C4' energy: -115.008
flat angles C4'-P-C4' energy: -143.911
flat angles P-C4'-P energy: -86.827
tors. eta vs tors. theta energy: -194.792
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: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2032.466517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.466517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.466517 (E_RNA)
where:
Base-Base interactions energy: -1375.048
where: short stacking energy: -611.771
Base-Backbone interact. energy: -1.800
local terms energy: -655.618575
where:
bonds (distance) C4'-P energy: -125.237
bonds (distance) P-C4' energy: -95.164
flat angles C4'-P-C4' energy: -148.471
flat angles P-C4'-P energy: -101.563
tors. eta vs tors. theta energy: -185.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1803.676774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.676774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.676774 (E_RNA)
where:
Base-Base interactions energy: -1231.150
where: short stacking energy: -518.512
Base-Backbone interact. energy: -3.557
local terms energy: -568.969623
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -111.845
flat angles C4'-P-C4' energy: -126.336
flat angles P-C4'-P energy: -84.926
tors. eta vs tors. theta energy: -135.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1724.270065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.270065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.270065 (E_RNA)
where:
Base-Base interactions energy: -1177.481
where: short stacking energy: -505.273
Base-Backbone interact. energy: 0.528
local terms energy: -547.316699
where:
bonds (distance) C4'-P energy: -88.524
bonds (distance) P-C4' energy: -109.292
flat angles C4'-P-C4' energy: -127.432
flat angles P-C4'-P energy: -73.999
tors. eta vs tors. theta energy: -148.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1588.722097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.722097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.722097 (E_RNA)
where:
Base-Base interactions energy: -1087.732
where: short stacking energy: -458.739
Base-Backbone interact. energy: -1.526
local terms energy: -499.464267
where:
bonds (distance) C4'-P energy: -108.286
bonds (distance) P-C4' energy: -97.804
flat angles C4'-P-C4' energy: -104.561
flat angles P-C4'-P energy: -74.948
tors. eta vs tors. theta energy: -113.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1354.816287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.816287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.816287 (E_RNA)
where:
Base-Base interactions energy: -843.927
where: short stacking energy: -373.254
Base-Backbone interact. energy: 0.282
local terms energy: -511.172012
where:
bonds (distance) C4'-P energy: -105.691
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -103.738
flat angles P-C4'-P energy: -85.316
tors. eta vs tors. theta energy: -98.546
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: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -789.140651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.140651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.140651 (E_RNA)
where:
Base-Base interactions energy: -430.528
where: short stacking energy: -201.926
Base-Backbone interact. energy: 0.328
local terms energy: -358.939736
where:
bonds (distance) C4'-P energy: -109.689
bonds (distance) P-C4' energy: -102.986
flat angles C4'-P-C4' energy: -94.510
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -3.715
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: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -620.102449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.102449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.102449 (E_RNA)
where:
Base-Base interactions energy: -269.028
where: short stacking energy: -175.355
Base-Backbone interact. energy: -1.008
local terms energy: -350.066468
where:
bonds (distance) C4'-P energy: -92.262
bonds (distance) P-C4' energy: -105.623
flat angles C4'-P-C4' energy: -105.561
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -449.862982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.862982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.862982 (E_RNA)
where:
Base-Base interactions energy: -153.081
where: short stacking energy: -115.047
Base-Backbone interact. energy: 1.351
local terms energy: -298.132909
where:
bonds (distance) C4'-P energy: -113.333
bonds (distance) P-C4' energy: -101.433
flat angles C4'-P-C4' energy: -65.839
flat angles P-C4'-P energy: -43.284
tors. eta vs tors. theta energy: 25.756
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: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2218.001030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.001030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.001030 (E_RNA)
where:
Base-Base interactions energy: -1556.290
where: short stacking energy: -599.534
Base-Backbone interact. energy: -4.075
local terms energy: -657.636014
where:
bonds (distance) C4'-P energy: -120.469
bonds (distance) P-C4' energy: -136.726
flat angles C4'-P-C4' energy: -136.575
flat angles P-C4'-P energy: -100.227
tors. eta vs tors. theta energy: -163.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2098.319581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.319581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.319581 (E_RNA)
where:
Base-Base interactions energy: -1440.126
where: short stacking energy: -595.514
Base-Backbone interact. energy: 0.462
local terms energy: -658.654983
where:
bonds (distance) C4'-P energy: -123.857
bonds (distance) P-C4' energy: -131.203
flat angles C4'-P-C4' energy: -138.339
flat angles P-C4'-P energy: -88.517
tors. eta vs tors. theta energy: -176.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1973.541939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.541939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.541939 (E_RNA)
where:
Base-Base interactions energy: -1311.264
where: short stacking energy: -565.862
Base-Backbone interact. energy: -0.477
local terms energy: -661.800389
where:
bonds (distance) C4'-P energy: -118.643
bonds (distance) P-C4' energy: -129.748
flat angles C4'-P-C4' energy: -143.650
flat angles P-C4'-P energy: -101.056
tors. eta vs tors. theta energy: -168.704
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: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1852.780170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.780170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.780170 (E_RNA)
where:
Base-Base interactions energy: -1233.897
where: short stacking energy: -530.909
Base-Backbone interact. energy: 1.604
local terms energy: -620.487468
where:
bonds (distance) C4'-P energy: -117.155
bonds (distance) P-C4' energy: -126.973
flat angles C4'-P-C4' energy: -138.668
flat angles P-C4'-P energy: -85.599
tors. eta vs tors. theta energy: -152.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1716.344237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.344237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.344237 (E_RNA)
where:
Base-Base interactions energy: -1155.398
where: short stacking energy: -487.220
Base-Backbone interact. energy: -1.380
local terms energy: -559.565821
where:
bonds (distance) C4'-P energy: -96.377
bonds (distance) P-C4' energy: -112.183
flat angles C4'-P-C4' energy: -127.345
flat angles P-C4'-P energy: -78.820
tors. eta vs tors. theta energy: -144.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1605.829918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.829918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.829918 (E_RNA)
where:
Base-Base interactions energy: -1078.244
where: short stacking energy: -458.198
Base-Backbone interact. energy: 0.585
local terms energy: -528.171633
where:
bonds (distance) C4'-P energy: -111.171
bonds (distance) P-C4' energy: -85.771
flat angles C4'-P-C4' energy: -118.464
flat angles P-C4'-P energy: -79.600
tors. eta vs tors. theta energy: -133.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1333.277599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.277599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.277599 (E_RNA)
where:
Base-Base interactions energy: -876.742
where: short stacking energy: -365.039
Base-Backbone interact. energy: 0.946
local terms energy: -457.481265
where:
bonds (distance) C4'-P energy: -91.296
bonds (distance) P-C4' energy: -96.633
flat angles C4'-P-C4' energy: -106.761
flat angles P-C4'-P energy: -73.241
tors. eta vs tors. theta energy: -89.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -754.338025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.338025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.338025 (E_RNA)
where:
Base-Base interactions energy: -365.541
where: short stacking energy: -210.271
Base-Backbone interact. energy: -1.914
local terms energy: -386.882766
where:
bonds (distance) C4'-P energy: -116.980
bonds (distance) P-C4' energy: -118.559
flat angles C4'-P-C4' energy: -102.193
flat angles P-C4'-P energy: -47.282
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: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -606.490474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.490474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.490474 (E_RNA)
where:
Base-Base interactions energy: -262.738
where: short stacking energy: -158.482
Base-Backbone interact. energy: -2.356
local terms energy: -341.396674
where:
bonds (distance) C4'-P energy: -125.172
bonds (distance) P-C4' energy: -107.894
flat angles C4'-P-C4' energy: -76.278
flat angles P-C4'-P energy: -34.984
tors. eta vs tors. theta energy: 2.931
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: 138
Temperature: 1.350000
Total energy: -465.804964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.804964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.804964 (E_RNA)
where:
Base-Base interactions energy: -142.200
where: short stacking energy: -123.648
Base-Backbone interact. energy: 3.542
local terms energy: -327.146837
where:
bonds (distance) C4'-P energy: -104.067
bonds (distance) P-C4' energy: -108.438
flat angles C4'-P-C4' energy: -86.103
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: 21.316
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: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2208.086456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.086456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.086456 (E_RNA)
where:
Base-Base interactions energy: -1552.965
where: short stacking energy: -600.884
Base-Backbone interact. energy: -0.763
local terms energy: -654.357937
where:
bonds (distance) C4'-P energy: -126.005
bonds (distance) P-C4' energy: -127.340
flat angles C4'-P-C4' energy: -134.075
flat angles P-C4'-P energy: -88.206
tors. eta vs tors. theta energy: -178.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2091.709385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.709385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.709385 (E_RNA)
where:
Base-Base interactions energy: -1442.990
where: short stacking energy: -609.952
Base-Backbone interact. energy: -1.815
local terms energy: -646.905294
where:
bonds (distance) C4'-P energy: -119.005
bonds (distance) P-C4' energy: -123.330
flat angles C4'-P-C4' energy: -127.865
flat angles P-C4'-P energy: -92.147
tors. eta vs tors. theta energy: -184.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1965.726600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.726600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.726600 (E_RNA)
where:
Base-Base interactions energy: -1339.511
where: short stacking energy: -570.528
Base-Backbone interact. energy: 3.321
local terms energy: -629.536985
where:
bonds (distance) C4'-P energy: -121.417
bonds (distance) P-C4' energy: -125.098
flat angles C4'-P-C4' energy: -124.725
flat angles P-C4'-P energy: -89.084
tors. eta vs tors. theta energy: -169.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1848.920974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.920974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.920974 (E_RNA)
where:
Base-Base interactions energy: -1255.793
where: short stacking energy: -504.451
Base-Backbone interact. energy: -1.338
local terms energy: -591.790450
where:
bonds (distance) C4'-P energy: -118.651
bonds (distance) P-C4' energy: -122.344
flat angles C4'-P-C4' energy: -120.322
flat angles P-C4'-P energy: -90.163
tors. eta vs tors. theta energy: -140.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1663.621689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.621689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.621689 (E_RNA)
where:
Base-Base interactions energy: -1106.939
where: short stacking energy: -470.493
Base-Backbone interact. energy: 0.648
local terms energy: -557.330863
where:
bonds (distance) C4'-P energy: -114.641
bonds (distance) P-C4' energy: -101.108
flat angles C4'-P-C4' energy: -113.631
flat angles P-C4'-P energy: -86.071
tors. eta vs tors. theta energy: -141.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1600.059456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.059456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.059456 (E_RNA)
where:
Base-Base interactions energy: -1066.021
where: short stacking energy: -475.962
Base-Backbone interact. energy: -2.754
local terms energy: -531.285263
where:
bonds (distance) C4'-P energy: -98.099
bonds (distance) P-C4' energy: -111.692
flat angles C4'-P-C4' energy: -116.840
flat angles P-C4'-P energy: -89.718
tors. eta vs tors. theta energy: -114.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1389.575213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.575213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.575213 (E_RNA)
where:
Base-Base interactions energy: -888.993
where: short stacking energy: -410.531
Base-Backbone interact. energy: 1.662
local terms energy: -502.243930
where:
bonds (distance) C4'-P energy: -100.314
bonds (distance) P-C4' energy: -101.570
flat angles C4'-P-C4' energy: -118.983
flat angles P-C4'-P energy: -68.516
tors. eta vs tors. theta energy: -112.861
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -750.591461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.591461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.591461 (E_RNA)
where:
Base-Base interactions energy: -363.509
where: short stacking energy: -207.778
Base-Backbone interact. energy: 0.173
local terms energy: -387.255362
where:
bonds (distance) C4'-P energy: -103.580
bonds (distance) P-C4' energy: -111.717
flat angles C4'-P-C4' energy: -82.046
flat angles P-C4'-P energy: -68.839
tors. eta vs tors. theta energy: -21.073
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: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -637.246822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.246822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.246822 (E_RNA)
where:
Base-Base interactions energy: -286.797
where: short stacking energy: -180.912
Base-Backbone interact. energy: -1.297
local terms energy: -349.152588
where:
bonds (distance) C4'-P energy: -93.774
bonds (distance) P-C4' energy: -109.762
flat angles C4'-P-C4' energy: -89.624
flat angles P-C4'-P energy: -60.995
tors. eta vs tors. theta energy: 5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -466.826344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.826344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.826344 (E_RNA)
where:
Base-Base interactions energy: -152.795
where: short stacking energy: -113.722
Base-Backbone interact. energy: -1.931
local terms energy: -312.100626
where:
bonds (distance) C4'-P energy: -96.293
bonds (distance) P-C4' energy: -93.356
flat angles C4'-P-C4' energy: -86.649
flat angles P-C4'-P energy: -61.291
tors. eta vs tors. theta energy: 25.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2225.768184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.768184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.768184 (E_RNA)
where:
Base-Base interactions energy: -1580.160
where: short stacking energy: -600.223
Base-Backbone interact. energy: -2.338
local terms energy: -643.270268
where:
bonds (distance) C4'-P energy: -130.303
bonds (distance) P-C4' energy: -130.178
flat angles C4'-P-C4' energy: -143.489
flat angles P-C4'-P energy: -80.829
tors. eta vs tors. theta energy: -158.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2041.050754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.050754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.050754 (E_RNA)
where:
Base-Base interactions energy: -1433.020
where: short stacking energy: -582.173
Base-Backbone interact. energy: -0.523
local terms energy: -607.507480
where:
bonds (distance) C4'-P energy: -125.175
bonds (distance) P-C4' energy: -88.928
flat angles C4'-P-C4' energy: -133.941
flat angles P-C4'-P energy: -84.953
tors. eta vs tors. theta energy: -174.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1991.909209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.909209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.909209 (E_RNA)
where:
Base-Base interactions energy: -1359.725
where: short stacking energy: -569.199
Base-Backbone interact. energy: -1.145
local terms energy: -631.039826
where:
bonds (distance) C4'-P energy: -123.701
bonds (distance) P-C4' energy: -118.134
flat angles C4'-P-C4' energy: -125.760
flat angles P-C4'-P energy: -82.424
tors. eta vs tors. theta energy: -181.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1866.754030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.754030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.754030 (E_RNA)
where:
Base-Base interactions energy: -1273.187
where: short stacking energy: -496.458
Base-Backbone interact. energy: 1.253
local terms energy: -594.819639
where:
bonds (distance) C4'-P energy: -111.032
bonds (distance) P-C4' energy: -115.161
flat angles C4'-P-C4' energy: -139.934
flat angles P-C4'-P energy: -90.637
tors. eta vs tors. theta energy: -138.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1658.977409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.977409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.977409 (E_RNA)
where:
Base-Base interactions energy: -1084.641
where: short stacking energy: -452.155
Base-Backbone interact. energy: -3.277
local terms energy: -571.059223
where:
bonds (distance) C4'-P energy: -122.848
bonds (distance) P-C4' energy: -101.073
flat angles C4'-P-C4' energy: -131.473
flat angles P-C4'-P energy: -88.260
tors. eta vs tors. theta energy: -127.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1592.144800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.144800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.144800 (E_RNA)
where:
Base-Base interactions energy: -1064.446
where: short stacking energy: -459.091
Base-Backbone interact. energy: -4.263
local terms energy: -523.435872
where:
bonds (distance) C4'-P energy: -121.027
bonds (distance) P-C4' energy: -99.852
flat angles C4'-P-C4' energy: -125.011
flat angles P-C4'-P energy: -67.427
tors. eta vs tors. theta energy: -110.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1370.886389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.886389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.886389 (E_RNA)
where:
Base-Base interactions energy: -869.463
where: short stacking energy: -368.276
Base-Backbone interact. energy: -0.514
local terms energy: -500.909571
where:
bonds (distance) C4'-P energy: -112.757
bonds (distance) P-C4' energy: -109.540
flat angles C4'-P-C4' energy: -103.553
flat angles P-C4'-P energy: -78.480
tors. eta vs tors. theta energy: -96.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -811.281602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.281602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.281602 (E_RNA)
where:
Base-Base interactions energy: -416.570
where: short stacking energy: -245.624
Base-Backbone interact. energy: -0.674
local terms energy: -394.037704
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -111.709
flat angles C4'-P-C4' energy: -103.519
flat angles P-C4'-P energy: -45.526
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -607.361050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.361050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.361050 (E_RNA)
where:
Base-Base interactions energy: -248.834
where: short stacking energy: -161.848
Base-Backbone interact. energy: 6.866
local terms energy: -365.392711
where:
bonds (distance) C4'-P energy: -103.014
bonds (distance) P-C4' energy: -114.335
flat angles C4'-P-C4' energy: -97.000
flat angles P-C4'-P energy: -52.935
tors. eta vs tors. theta energy: 1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -469.558650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.558650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.558650 (E_RNA)
where:
Base-Base interactions energy: -129.658
where: short stacking energy: -113.419
Base-Backbone interact. energy: 1.618
local terms energy: -341.518586
where:
bonds (distance) C4'-P energy: -97.007
bonds (distance) P-C4' energy: -140.783
flat angles C4'-P-C4' energy: -88.304
flat angles P-C4'-P energy: -47.394
tors. eta vs tors. theta energy: 31.970
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: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2203.655572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.655572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.655572 (E_RNA)
where:
Base-Base interactions energy: -1573.488
where: short stacking energy: -599.795
Base-Backbone interact. energy: -3.726
local terms energy: -626.442209
where:
bonds (distance) C4'-P energy: -106.991
bonds (distance) P-C4' energy: -121.546
flat angles C4'-P-C4' energy: -140.261
flat angles P-C4'-P energy: -93.873
tors. eta vs tors. theta energy: -163.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2055.304625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.304625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.304625 (E_RNA)
where:
Base-Base interactions energy: -1388.176
where: short stacking energy: -583.912
Base-Backbone interact. energy: 3.287
local terms energy: -670.415801
where:
bonds (distance) C4'-P energy: -130.138
bonds (distance) P-C4' energy: -120.225
flat angles C4'-P-C4' energy: -136.351
flat angles P-C4'-P energy: -103.256
tors. eta vs tors. theta energy: -180.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2017.704653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.704653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.704653 (E_RNA)
where:
Base-Base interactions energy: -1411.176
where: short stacking energy: -572.690
Base-Backbone interact. energy: -0.914
local terms energy: -605.614666
where:
bonds (distance) C4'-P energy: -101.470
bonds (distance) P-C4' energy: -120.430
flat angles C4'-P-C4' energy: -136.096
flat angles P-C4'-P energy: -77.844
tors. eta vs tors. theta energy: -169.775
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: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1874.793268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.793268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.793268 (E_RNA)
where:
Base-Base interactions energy: -1287.847
where: short stacking energy: -524.197
Base-Backbone interact. energy: -0.404
local terms energy: -586.542036
where:
bonds (distance) C4'-P energy: -105.658
bonds (distance) P-C4' energy: -111.423
flat angles C4'-P-C4' energy: -134.288
flat angles P-C4'-P energy: -84.419
tors. eta vs tors. theta energy: -150.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1661.039084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.039084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.039084 (E_RNA)
where:
Base-Base interactions energy: -1107.768
where: short stacking energy: -446.995
Base-Backbone interact. energy: 2.341
local terms energy: -555.611795
where:
bonds (distance) C4'-P energy: -102.921
bonds (distance) P-C4' energy: -116.872
flat angles C4'-P-C4' energy: -124.125
flat angles P-C4'-P energy: -78.275
tors. eta vs tors. theta energy: -133.419
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: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1643.311492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.311492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.311492 (E_RNA)
where:
Base-Base interactions energy: -1090.552
where: short stacking energy: -453.670
Base-Backbone interact. energy: 4.206
local terms energy: -556.965404
where:
bonds (distance) C4'-P energy: -109.424
bonds (distance) P-C4' energy: -112.267
flat angles C4'-P-C4' energy: -115.314
flat angles P-C4'-P energy: -95.468
tors. eta vs tors. theta energy: -124.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1384.274911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.274911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.274911 (E_RNA)
where:
Base-Base interactions energy: -876.817
where: short stacking energy: -406.427
Base-Backbone interact. energy: 1.788
local terms energy: -509.246145
where:
bonds (distance) C4'-P energy: -102.560
bonds (distance) P-C4' energy: -90.582
flat angles C4'-P-C4' energy: -131.333
flat angles P-C4'-P energy: -84.222
tors. eta vs tors. theta energy: -100.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -861.533370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.533370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.533370 (E_RNA)
where:
Base-Base interactions energy: -440.845
where: short stacking energy: -227.005
Base-Backbone interact. energy: -1.985
local terms energy: -418.703848
where:
bonds (distance) C4'-P energy: -92.330
bonds (distance) P-C4' energy: -103.310
flat angles C4'-P-C4' energy: -119.173
flat angles P-C4'-P energy: -72.642
tors. eta vs tors. theta energy: -31.250
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: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -612.644631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.644631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.644631 (E_RNA)
where:
Base-Base interactions energy: -286.200
where: short stacking energy: -164.378
Base-Backbone interact. energy: 1.199
local terms energy: -327.643873
where:
bonds (distance) C4'-P energy: -83.539
bonds (distance) P-C4' energy: -99.348
flat angles C4'-P-C4' energy: -91.184
flat angles P-C4'-P energy: -62.014
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: 141
Temperature: 1.350000
Total energy: -444.824366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.824366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.824366 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -129.292
Base-Backbone interact. energy: -2.805
local terms energy: -297.460721
where:
bonds (distance) C4'-P energy: -81.064
bonds (distance) P-C4' energy: -109.888
flat angles C4'-P-C4' energy: -74.328
flat angles P-C4'-P energy: -60.963
tors. eta vs tors. theta energy: 28.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2183.171144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.171144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.171144 (E_RNA)
where:
Base-Base interactions energy: -1512.590
where: short stacking energy: -571.070
Base-Backbone interact. energy: -4.773
local terms energy: -665.807476
where:
bonds (distance) C4'-P energy: -125.581
bonds (distance) P-C4' energy: -140.795
flat angles C4'-P-C4' energy: -141.748
flat angles P-C4'-P energy: -89.112
tors. eta vs tors. theta energy: -168.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2094.137184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.137184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.137184 (E_RNA)
where:
Base-Base interactions energy: -1445.369
where: short stacking energy: -589.273
Base-Backbone interact. energy: -5.400
local terms energy: -643.368032
where:
bonds (distance) C4'-P energy: -104.026
bonds (distance) P-C4' energy: -133.483
flat angles C4'-P-C4' energy: -133.293
flat angles P-C4'-P energy: -92.844
tors. eta vs tors. theta energy: -179.722
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: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2053.409231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.409231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.409231 (E_RNA)
where:
Base-Base interactions energy: -1421.218
where: short stacking energy: -615.386
Base-Backbone interact. energy: 2.857
local terms energy: -635.047829
where:
bonds (distance) C4'-P energy: -128.486
bonds (distance) P-C4' energy: -116.964
flat angles C4'-P-C4' energy: -126.458
flat angles P-C4'-P energy: -78.707
tors. eta vs tors. theta energy: -184.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1898.989449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.989449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.989449 (E_RNA)
where:
Base-Base interactions energy: -1302.944
where: short stacking energy: -536.794
Base-Backbone interact. energy: 1.912
local terms energy: -597.957472
where:
bonds (distance) C4'-P energy: -113.839
bonds (distance) P-C4' energy: -109.558
flat angles C4'-P-C4' energy: -136.532
flat angles P-C4'-P energy: -85.404
tors. eta vs tors. theta energy: -152.624
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: 142
Temperature: 1.100000
Total energy: -1651.357397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.357397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.357397 (E_RNA)
where:
Base-Base interactions energy: -1086.560
where: short stacking energy: -461.740
Base-Backbone interact. energy: 1.763
local terms energy: -566.559536
where:
bonds (distance) C4'-P energy: -130.528
bonds (distance) P-C4' energy: -116.294
flat angles C4'-P-C4' energy: -125.190
flat angles P-C4'-P energy: -75.039
tors. eta vs tors. theta energy: -119.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1613.962645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.962645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.962645 (E_RNA)
where:
Base-Base interactions energy: -1072.858
where: short stacking energy: -456.145
Base-Backbone interact. energy: -1.236
local terms energy: -539.869152
where:
bonds (distance) C4'-P energy: -101.585
bonds (distance) P-C4' energy: -121.628
flat angles C4'-P-C4' energy: -116.716
flat angles P-C4'-P energy: -70.683
tors. eta vs tors. theta energy: -129.257
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: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1375.671391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.671391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.671391 (E_RNA)
where:
Base-Base interactions energy: -889.741
where: short stacking energy: -365.536
Base-Backbone interact. energy: -2.266
local terms energy: -483.664784
where:
bonds (distance) C4'-P energy: -115.759
bonds (distance) P-C4' energy: -121.285
flat angles C4'-P-C4' energy: -107.091
flat angles P-C4'-P energy: -54.762
tors. eta vs tors. theta energy: -84.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -807.954875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.954875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.954875 (E_RNA)
where:
Base-Base interactions energy: -423.558
where: short stacking energy: -247.761
Base-Backbone interact. energy: -1.303
local terms energy: -383.093279
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -112.266
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -68.797
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -604.117267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.117267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.117267 (E_RNA)
where:
Base-Base interactions energy: -292.795
where: short stacking energy: -167.015
Base-Backbone interact. energy: -0.347
local terms energy: -310.974957
where:
bonds (distance) C4'-P energy: -91.423
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -92.972
flat angles P-C4'-P energy: -44.591
tors. eta vs tors. theta energy: 18.261
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: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -461.473355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.473355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.473355 (E_RNA)
where:
Base-Base interactions energy: -148.085
where: short stacking energy: -107.469
Base-Backbone interact. energy: -1.517
local terms energy: -311.871032
where:
bonds (distance) C4'-P energy: -103.625
bonds (distance) P-C4' energy: -121.112
flat angles C4'-P-C4' energy: -79.443
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: 37.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2201.103039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.103039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.103039 (E_RNA)
where:
Base-Base interactions energy: -1553.615
where: short stacking energy: -587.471
Base-Backbone interact. energy: -3.893
local terms energy: -643.594381
where:
bonds (distance) C4'-P energy: -123.905
bonds (distance) P-C4' energy: -119.485
flat angles C4'-P-C4' energy: -147.661
flat angles P-C4'-P energy: -92.051
tors. eta vs tors. theta energy: -160.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2102.244599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.244599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.244599 (E_RNA)
where:
Base-Base interactions energy: -1426.719
where: short stacking energy: -617.947
Base-Backbone interact. energy: -4.735
local terms energy: -670.790423
where:
bonds (distance) C4'-P energy: -120.844
bonds (distance) P-C4' energy: -123.547
flat angles C4'-P-C4' energy: -144.677
flat angles P-C4'-P energy: -94.867
tors. eta vs tors. theta energy: -186.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2010.665552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.665552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.665552 (E_RNA)
where:
Base-Base interactions energy: -1402.328
where: short stacking energy: -584.216
Base-Backbone interact. energy: 1.450
local terms energy: -609.787373
where:
bonds (distance) C4'-P energy: -121.177
bonds (distance) P-C4' energy: -114.293
flat angles C4'-P-C4' energy: -121.799
flat angles P-C4'-P energy: -87.597
tors. eta vs tors. theta energy: -164.921
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: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1841.225624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.225624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.225624 (E_RNA)
where:
Base-Base interactions energy: -1250.425
where: short stacking energy: -517.242
Base-Backbone interact. energy: 1.159
local terms energy: -591.960481
where:
bonds (distance) C4'-P energy: -102.482
bonds (distance) P-C4' energy: -120.230
flat angles C4'-P-C4' energy: -130.224
flat angles P-C4'-P energy: -83.796
tors. eta vs tors. theta energy: -155.229
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: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1663.071183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.071183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.071183 (E_RNA)
where:
Base-Base interactions energy: -1110.178
where: short stacking energy: -458.574
Base-Backbone interact. energy: -2.209
local terms energy: -550.684076
where:
bonds (distance) C4'-P energy: -116.810
bonds (distance) P-C4' energy: -95.461
flat angles C4'-P-C4' energy: -124.755
flat angles P-C4'-P energy: -85.102
tors. eta vs tors. theta energy: -128.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1621.989277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.989277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.989277 (E_RNA)
where:
Base-Base interactions energy: -1077.909
where: short stacking energy: -452.188
Base-Backbone interact. energy: -0.735
local terms energy: -543.345604
where:
bonds (distance) C4'-P energy: -107.503
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -114.987
flat angles P-C4'-P energy: -72.875
tors. eta vs tors. theta energy: -137.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1430.950112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.950112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.950112 (E_RNA)
where:
Base-Base interactions energy: -944.540
where: short stacking energy: -383.499
Base-Backbone interact. energy: 3.803
local terms energy: -490.212289
where:
bonds (distance) C4'-P energy: -87.302
bonds (distance) P-C4' energy: -118.474
flat angles C4'-P-C4' energy: -113.213
flat angles P-C4'-P energy: -70.318
tors. eta vs tors. theta energy: -100.906
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: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -828.833040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.833040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.833040 (E_RNA)
where:
Base-Base interactions energy: -434.728
where: short stacking energy: -228.942
Base-Backbone interact. energy: -0.390
local terms energy: -393.715068
where:
bonds (distance) C4'-P energy: -96.147
bonds (distance) P-C4' energy: -108.403
flat angles C4'-P-C4' energy: -104.108
flat angles P-C4'-P energy: -63.197
tors. eta vs tors. theta energy: -21.860
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: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -643.195730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.195730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.195730 (E_RNA)
where:
Base-Base interactions energy: -283.846
where: short stacking energy: -152.330
Base-Backbone interact. energy: 0.775
local terms energy: -360.124738
where:
bonds (distance) C4'-P energy: -106.505
bonds (distance) P-C4' energy: -108.455
flat angles C4'-P-C4' energy: -103.755
flat angles P-C4'-P energy: -52.720
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: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -480.380267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.380267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.380267 (E_RNA)
where:
Base-Base interactions energy: -175.249
where: short stacking energy: -128.153
Base-Backbone interact. energy: 1.939
local terms energy: -307.070598
where:
bonds (distance) C4'-P energy: -90.898
bonds (distance) P-C4' energy: -109.812
flat angles C4'-P-C4' energy: -83.898
flat angles P-C4'-P energy: -50.170
tors. eta vs tors. theta energy: 27.708
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: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2231.182740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.182740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.182740 (E_RNA)
where:
Base-Base interactions energy: -1569.622
where: short stacking energy: -587.581
Base-Backbone interact. energy: -2.056
local terms energy: -659.505540
where:
bonds (distance) C4'-P energy: -126.765
bonds (distance) P-C4' energy: -124.403
flat angles C4'-P-C4' energy: -146.442
flat angles P-C4'-P energy: -93.467
tors. eta vs tors. theta energy: -168.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2113.302129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.302129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.302129 (E_RNA)
where:
Base-Base interactions energy: -1456.700
where: short stacking energy: -586.529
Base-Backbone interact. energy: 1.115
local terms energy: -657.717111
where:
bonds (distance) C4'-P energy: -121.545
bonds (distance) P-C4' energy: -115.196
flat angles C4'-P-C4' energy: -141.388
flat angles P-C4'-P energy: -85.916
tors. eta vs tors. theta energy: -193.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2060.104193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.104193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.104193 (E_RNA)
where:
Base-Base interactions energy: -1405.897
where: short stacking energy: -595.374
Base-Backbone interact. energy: -1.635
local terms energy: -652.571959
where:
bonds (distance) C4'-P energy: -125.764
bonds (distance) P-C4' energy: -125.860
flat angles C4'-P-C4' energy: -137.148
flat angles P-C4'-P energy: -85.232
tors. eta vs tors. theta energy: -178.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1870.910925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.910925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.910925 (E_RNA)
where:
Base-Base interactions energy: -1293.520
where: short stacking energy: -539.927
Base-Backbone interact. energy: -3.422
local terms energy: -573.968228
where:
bonds (distance) C4'-P energy: -100.410
bonds (distance) P-C4' energy: -111.898
flat angles C4'-P-C4' energy: -137.704
flat angles P-C4'-P energy: -79.200
tors. eta vs tors. theta energy: -144.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1696.365994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.365994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.365994 (E_RNA)
where:
Base-Base interactions energy: -1147.245
where: short stacking energy: -462.297
Base-Backbone interact. energy: 0.145
local terms energy: -549.265310
where:
bonds (distance) C4'-P energy: -121.429
bonds (distance) P-C4' energy: -98.270
flat angles C4'-P-C4' energy: -121.483
flat angles P-C4'-P energy: -72.172
tors. eta vs tors. theta energy: -135.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1586.380025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.380025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.380025 (E_RNA)
where:
Base-Base interactions energy: -1050.892
where: short stacking energy: -435.562
Base-Backbone interact. energy: -0.958
local terms energy: -534.529516
where:
bonds (distance) C4'-P energy: -117.724
bonds (distance) P-C4' energy: -100.960
flat angles C4'-P-C4' energy: -113.096
flat angles P-C4'-P energy: -78.963
tors. eta vs tors. theta energy: -123.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1468.835734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.835734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.835734 (E_RNA)
where:
Base-Base interactions energy: -966.813
where: short stacking energy: -409.657
Base-Backbone interact. energy: -0.962
local terms energy: -501.061029
where:
bonds (distance) C4'-P energy: -114.815
bonds (distance) P-C4' energy: -91.360
flat angles C4'-P-C4' energy: -130.016
flat angles P-C4'-P energy: -64.166
tors. eta vs tors. theta energy: -100.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -876.688573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.688573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.688573 (E_RNA)
where:
Base-Base interactions energy: -467.029
where: short stacking energy: -250.019
Base-Backbone interact. energy: 4.101
local terms energy: -413.760158
where:
bonds (distance) C4'-P energy: -90.090
bonds (distance) P-C4' energy: -103.638
flat angles C4'-P-C4' energy: -101.151
flat angles P-C4'-P energy: -62.821
tors. eta vs tors. theta energy: -56.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -627.855970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.855970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.855970 (E_RNA)
where:
Base-Base interactions energy: -283.849
where: short stacking energy: -183.500
Base-Backbone interact. energy: -0.475
local terms energy: -343.531618
where:
bonds (distance) C4'-P energy: -110.286
bonds (distance) P-C4' energy: -105.996
flat angles C4'-P-C4' energy: -93.239
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: 11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -506.172927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.172927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.172927 (E_RNA)
where:
Base-Base interactions energy: -178.525
where: short stacking energy: -107.982
Base-Backbone interact. energy: -3.456
local terms energy: -324.192520
where:
bonds (distance) C4'-P energy: -86.678
bonds (distance) P-C4' energy: -113.811
flat angles C4'-P-C4' energy: -92.659
flat angles P-C4'-P energy: -59.985
tors. eta vs tors. theta energy: 28.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2234.736064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.736064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.736064 (E_RNA)
where:
Base-Base interactions energy: -1584.438
where: short stacking energy: -591.711
Base-Backbone interact. energy: -1.143
local terms energy: -649.154616
where:
bonds (distance) C4'-P energy: -118.952
bonds (distance) P-C4' energy: -124.865
flat angles C4'-P-C4' energy: -135.498
flat angles P-C4'-P energy: -100.988
tors. eta vs tors. theta energy: -168.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2118.429210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.429210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.429210 (E_RNA)
where:
Base-Base interactions energy: -1446.548
where: short stacking energy: -624.253
Base-Backbone interact. energy: -2.409
local terms energy: -669.471967
where:
bonds (distance) C4'-P energy: -119.151
bonds (distance) P-C4' energy: -117.315
flat angles C4'-P-C4' energy: -145.666
flat angles P-C4'-P energy: -91.559
tors. eta vs tors. theta energy: -195.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1997.818922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.818922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.818922 (E_RNA)
where:
Base-Base interactions energy: -1358.721
where: short stacking energy: -582.216
Base-Backbone interact. energy: -4.192
local terms energy: -634.905885
where:
bonds (distance) C4'-P energy: -111.732
bonds (distance) P-C4' energy: -133.178
flat angles C4'-P-C4' energy: -133.194
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -171.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1832.422135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.422135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.422135 (E_RNA)
where:
Base-Base interactions energy: -1235.074
where: short stacking energy: -501.853
Base-Backbone interact. energy: -0.327
local terms energy: -597.020493
where:
bonds (distance) C4'-P energy: -113.398
bonds (distance) P-C4' energy: -127.654
flat angles C4'-P-C4' energy: -138.568
flat angles P-C4'-P energy: -75.043
tors. eta vs tors. theta energy: -142.357
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: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1678.351320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.351320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.351320 (E_RNA)
where:
Base-Base interactions energy: -1104.997
where: short stacking energy: -461.242
Base-Backbone interact. energy: -2.195
local terms energy: -571.159131
where:
bonds (distance) C4'-P energy: -119.813
bonds (distance) P-C4' energy: -116.030
flat angles C4'-P-C4' energy: -131.607
flat angles P-C4'-P energy: -80.539
tors. eta vs tors. theta energy: -123.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1582.183634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.183634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.183634 (E_RNA)
where:
Base-Base interactions energy: -1053.961
where: short stacking energy: -444.452
Base-Backbone interact. energy: -0.914
local terms energy: -527.308395
where:
bonds (distance) C4'-P energy: -105.741
bonds (distance) P-C4' energy: -121.145
flat angles C4'-P-C4' energy: -110.748
flat angles P-C4'-P energy: -67.514
tors. eta vs tors. theta energy: -122.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1435.546419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.546419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.546419 (E_RNA)
where:
Base-Base interactions energy: -938.321
where: short stacking energy: -389.108
Base-Backbone interact. energy: -3.259
local terms energy: -493.967001
where:
bonds (distance) C4'-P energy: -100.883
bonds (distance) P-C4' energy: -101.496
flat angles C4'-P-C4' energy: -114.558
flat angles P-C4'-P energy: -74.107
tors. eta vs tors. theta energy: -102.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -901.994370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.994370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.994370 (E_RNA)
where:
Base-Base interactions energy: -481.846
where: short stacking energy: -244.554
Base-Backbone interact. energy: -5.095
local terms energy: -415.052656
where:
bonds (distance) C4'-P energy: -98.046
bonds (distance) P-C4' energy: -120.445
flat angles C4'-P-C4' energy: -96.187
flat angles P-C4'-P energy: -71.645
tors. eta vs tors. theta energy: -28.728
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: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -638.215205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.215205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.215205 (E_RNA)
where:
Base-Base interactions energy: -267.129
where: short stacking energy: -173.539
Base-Backbone interact. energy: 2.408
local terms energy: -373.494145
where:
bonds (distance) C4'-P energy: -103.884
bonds (distance) P-C4' energy: -121.979
flat angles C4'-P-C4' energy: -85.506
flat angles P-C4'-P energy: -61.463
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -441.658109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.658109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.658109 (E_RNA)
where:
Base-Base interactions energy: -105.068
where: short stacking energy: -83.514
Base-Backbone interact. energy: -2.471
local terms energy: -334.119983
where:
bonds (distance) C4'-P energy: -105.414
bonds (distance) P-C4' energy: -113.065
flat angles C4'-P-C4' energy: -103.065
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: 34.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2261.169966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.169966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.169966 (E_RNA)
where:
Base-Base interactions energy: -1585.696
where: short stacking energy: -584.804
Base-Backbone interact. energy: -2.194
local terms energy: -673.280171
where:
bonds (distance) C4'-P energy: -127.893
bonds (distance) P-C4' energy: -132.755
flat angles C4'-P-C4' energy: -137.502
flat angles P-C4'-P energy: -102.375
tors. eta vs tors. theta energy: -172.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2032.431493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.431493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.431493 (E_RNA)
where:
Base-Base interactions energy: -1389.738
where: short stacking energy: -585.979
Base-Backbone interact. energy: -5.915
local terms energy: -636.778112
where:
bonds (distance) C4'-P energy: -109.319
bonds (distance) P-C4' energy: -118.419
flat angles C4'-P-C4' energy: -139.145
flat angles P-C4'-P energy: -94.093
tors. eta vs tors. theta energy: -175.802
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: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2018.681536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.681536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.681536 (E_RNA)
where:
Base-Base interactions energy: -1392.752
where: short stacking energy: -580.393
Base-Backbone interact. energy: -4.021
local terms energy: -621.908358
where:
bonds (distance) C4'-P energy: -112.775
bonds (distance) P-C4' energy: -121.365
flat angles C4'-P-C4' energy: -125.678
flat angles P-C4'-P energy: -85.526
tors. eta vs tors. theta energy: -176.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1834.368970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.368970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.368970 (E_RNA)
where:
Base-Base interactions energy: -1252.756
where: short stacking energy: -508.820
Base-Backbone interact. energy: -2.592
local terms energy: -579.020098
where:
bonds (distance) C4'-P energy: -103.735
bonds (distance) P-C4' energy: -116.961
flat angles C4'-P-C4' energy: -127.219
flat angles P-C4'-P energy: -88.120
tors. eta vs tors. theta energy: -142.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1729.838259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.838259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.838259 (E_RNA)
where:
Base-Base interactions energy: -1178.371
where: short stacking energy: -465.678
Base-Backbone interact. energy: -0.184
local terms energy: -551.282726
where:
bonds (distance) C4'-P energy: -110.771
bonds (distance) P-C4' energy: -112.019
flat angles C4'-P-C4' energy: -123.622
flat angles P-C4'-P energy: -76.893
tors. eta vs tors. theta energy: -127.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1578.223055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.223055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.223055 (E_RNA)
where:
Base-Base interactions energy: -1046.552
where: short stacking energy: -440.457
Base-Backbone interact. energy: -3.703
local terms energy: -527.968188
where:
bonds (distance) C4'-P energy: -104.044
bonds (distance) P-C4' energy: -121.659
flat angles C4'-P-C4' energy: -115.256
flat angles P-C4'-P energy: -70.249
tors. eta vs tors. theta energy: -116.759
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: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1428.423324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.423324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.423324 (E_RNA)
where:
Base-Base interactions energy: -955.955
where: short stacking energy: -399.411
Base-Backbone interact. energy: -3.699
local terms energy: -468.769693
where:
bonds (distance) C4'-P energy: -93.538
bonds (distance) P-C4' energy: -94.803
flat angles C4'-P-C4' energy: -118.004
flat angles P-C4'-P energy: -71.383
tors. eta vs tors. theta energy: -91.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -912.070201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.070201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.070201 (E_RNA)
where:
Base-Base interactions energy: -515.831
where: short stacking energy: -242.674
Base-Backbone interact. energy: -0.693
local terms energy: -395.546535
where:
bonds (distance) C4'-P energy: -85.166
bonds (distance) P-C4' energy: -118.070
flat angles C4'-P-C4' energy: -100.641
flat angles P-C4'-P energy: -53.535
tors. eta vs tors. theta energy: -38.134
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: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -633.113118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.113118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.113118 (E_RNA)
where:
Base-Base interactions energy: -261.355
where: short stacking energy: -162.068
Base-Backbone interact. energy: 2.340
local terms energy: -374.098213
where:
bonds (distance) C4'-P energy: -114.107
bonds (distance) P-C4' energy: -111.146
flat angles C4'-P-C4' energy: -102.458
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -426.398932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.398932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.398932 (E_RNA)
where:
Base-Base interactions energy: -114.934
where: short stacking energy: -90.222
Base-Backbone interact. energy: -1.287
local terms energy: -310.178403
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -123.785
flat angles C4'-P-C4' energy: -94.098
flat angles P-C4'-P energy: -44.219
tors. eta vs tors. theta energy: 46.382
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: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2258.158750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.158750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.158750 (E_RNA)
where:
Base-Base interactions energy: -1603.345
where: short stacking energy: -615.564
Base-Backbone interact. energy: -3.846
local terms energy: -650.968482
where:
bonds (distance) C4'-P energy: -123.246
bonds (distance) P-C4' energy: -121.320
flat angles C4'-P-C4' energy: -135.602
flat angles P-C4'-P energy: -98.486
tors. eta vs tors. theta energy: -172.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2069.501925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.501925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.501925 (E_RNA)
where:
Base-Base interactions energy: -1425.502
where: short stacking energy: -599.372
Base-Backbone interact. energy: 0.179
local terms energy: -644.178839
where:
bonds (distance) C4'-P energy: -110.099
bonds (distance) P-C4' energy: -129.261
flat angles C4'-P-C4' energy: -134.943
flat angles P-C4'-P energy: -85.144
tors. eta vs tors. theta energy: -184.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2024.786575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.786575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.786575 (E_RNA)
where:
Base-Base interactions energy: -1398.501
where: short stacking energy: -556.352
Base-Backbone interact. energy: -4.480
local terms energy: -621.805843
where:
bonds (distance) C4'-P energy: -108.081
bonds (distance) P-C4' energy: -128.087
flat angles C4'-P-C4' energy: -130.595
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -174.585
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: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1842.725850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.725850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.725850 (E_RNA)
where:
Base-Base interactions energy: -1239.801
where: short stacking energy: -524.162
Base-Backbone interact. energy: 0.554
local terms energy: -603.478004
where:
bonds (distance) C4'-P energy: -112.171
bonds (distance) P-C4' energy: -126.097
flat angles C4'-P-C4' energy: -128.694
flat angles P-C4'-P energy: -81.766
tors. eta vs tors. theta energy: -154.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1729.501883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.501883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.501883 (E_RNA)
where:
Base-Base interactions energy: -1165.242
where: short stacking energy: -465.643
Base-Backbone interact. energy: -1.681
local terms energy: -562.578594
where:
bonds (distance) C4'-P energy: -109.235
bonds (distance) P-C4' energy: -108.662
flat angles C4'-P-C4' energy: -129.713
flat angles P-C4'-P energy: -76.418
tors. eta vs tors. theta energy: -138.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1554.571232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.571232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.571232 (E_RNA)
where:
Base-Base interactions energy: -1039.792
where: short stacking energy: -445.618
Base-Backbone interact. energy: -1.091
local terms energy: -513.687470
where:
bonds (distance) C4'-P energy: -101.978
bonds (distance) P-C4' energy: -114.979
flat angles C4'-P-C4' energy: -122.361
flat angles P-C4'-P energy: -68.575
tors. eta vs tors. theta energy: -105.796
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1487.855327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.855327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.855327 (E_RNA)
where:
Base-Base interactions energy: -984.299
where: short stacking energy: -420.655
Base-Backbone interact. energy: 6.071
local terms energy: -509.626621
where:
bonds (distance) C4'-P energy: -86.323
bonds (distance) P-C4' energy: -112.360
flat angles C4'-P-C4' energy: -117.985
flat angles P-C4'-P energy: -81.387
tors. eta vs tors. theta energy: -111.572
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: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -962.555437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.555437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.555437 (E_RNA)
where:
Base-Base interactions energy: -532.238
where: short stacking energy: -284.356
Base-Backbone interact. energy: -3.127
local terms energy: -427.190904
where:
bonds (distance) C4'-P energy: -88.425
bonds (distance) P-C4' energy: -112.733
flat angles C4'-P-C4' energy: -105.407
flat angles P-C4'-P energy: -75.528
tors. eta vs tors. theta energy: -45.098
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: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -637.031214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.031214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.031214 (E_RNA)
where:
Base-Base interactions energy: -281.132
where: short stacking energy: -164.820
Base-Backbone interact. energy: 7.048
local terms energy: -362.947081
where:
bonds (distance) C4'-P energy: -92.322
bonds (distance) P-C4' energy: -103.079
flat angles C4'-P-C4' energy: -86.060
flat angles P-C4'-P energy: -65.349
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -440.682578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.682578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.682578 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -88.785
Base-Backbone interact. energy: 3.091
local terms energy: -310.916848
where:
bonds (distance) C4'-P energy: -104.343
bonds (distance) P-C4' energy: -102.078
flat angles C4'-P-C4' energy: -80.295
flat angles P-C4'-P energy: -47.091
tors. eta vs tors. theta energy: 22.889
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: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2288.628392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.628392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.628392 (E_RNA)
where:
Base-Base interactions energy: -1630.677
where: short stacking energy: -595.805
Base-Backbone interact. energy: 1.229
local terms energy: -659.180246
where:
bonds (distance) C4'-P energy: -121.222
bonds (distance) P-C4' energy: -126.618
flat angles C4'-P-C4' energy: -140.749
flat angles P-C4'-P energy: -99.562
tors. eta vs tors. theta energy: -171.028
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: 148
Temperature: 0.950000
Total energy: -2062.565320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.565320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.565320 (E_RNA)
where:
Base-Base interactions energy: -1402.945
where: short stacking energy: -591.811
Base-Backbone interact. energy: -5.123
local terms energy: -654.497396
where:
bonds (distance) C4'-P energy: -115.932
bonds (distance) P-C4' energy: -111.822
flat angles C4'-P-C4' energy: -146.887
flat angles P-C4'-P energy: -99.167
tors. eta vs tors. theta energy: -180.690
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: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2017.072891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.072891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.072891 (E_RNA)
where:
Base-Base interactions energy: -1377.119
where: short stacking energy: -563.965
Base-Backbone interact. energy: 1.092
local terms energy: -641.045725
where:
bonds (distance) C4'-P energy: -125.238
bonds (distance) P-C4' energy: -135.257
flat angles C4'-P-C4' energy: -131.246
flat angles P-C4'-P energy: -81.366
tors. eta vs tors. theta energy: -167.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1928.885049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.885049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.885049 (E_RNA)
where:
Base-Base interactions energy: -1320.249
where: short stacking energy: -539.159
Base-Backbone interact. energy: -0.361
local terms energy: -608.275769
where:
bonds (distance) C4'-P energy: -119.633
bonds (distance) P-C4' energy: -113.837
flat angles C4'-P-C4' energy: -130.427
flat angles P-C4'-P energy: -90.573
tors. eta vs tors. theta energy: -153.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1693.314246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.314246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.314246 (E_RNA)
where:
Base-Base interactions energy: -1159.232
where: short stacking energy: -466.946
Base-Backbone interact. energy: 3.714
local terms energy: -537.796423
where:
bonds (distance) C4'-P energy: -121.138
bonds (distance) P-C4' energy: -110.014
flat angles C4'-P-C4' energy: -117.191
flat angles P-C4'-P energy: -69.470
tors. eta vs tors. theta energy: -119.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1544.399995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.399995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.399995 (E_RNA)
where:
Base-Base interactions energy: -1038.718
where: short stacking energy: -444.859
Base-Backbone interact. energy: -2.227
local terms energy: -503.455299
where:
bonds (distance) C4'-P energy: -106.211
bonds (distance) P-C4' energy: -104.855
flat angles C4'-P-C4' energy: -95.187
flat angles P-C4'-P energy: -73.219
tors. eta vs tors. theta energy: -123.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1477.574566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.574566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.574566 (E_RNA)
where:
Base-Base interactions energy: -968.901
where: short stacking energy: -428.122
Base-Backbone interact. energy: -4.070
local terms energy: -504.604160
where:
bonds (distance) C4'-P energy: -90.369
bonds (distance) P-C4' energy: -96.014
flat angles C4'-P-C4' energy: -122.427
flat angles P-C4'-P energy: -73.728
tors. eta vs tors. theta energy: -122.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -967.896831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.896831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.896831 (E_RNA)
where:
Base-Base interactions energy: -560.901
where: short stacking energy: -275.668
Base-Backbone interact. energy: -2.552
local terms energy: -404.443433
where:
bonds (distance) C4'-P energy: -98.118
bonds (distance) P-C4' energy: -116.970
flat angles C4'-P-C4' energy: -85.197
flat angles P-C4'-P energy: -65.341
tors. eta vs tors. theta energy: -38.818
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: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -634.876524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.876524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.876524 (E_RNA)
where:
Base-Base interactions energy: -278.869
where: short stacking energy: -172.469
Base-Backbone interact. energy: -0.019
local terms energy: -355.988309
where:
bonds (distance) C4'-P energy: -109.196
bonds (distance) P-C4' energy: -97.640
flat angles C4'-P-C4' energy: -102.199
flat angles P-C4'-P energy: -44.573
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -445.185650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.185650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.185650 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -117.373
Base-Backbone interact. energy: 4.088
local terms energy: -302.100801
where:
bonds (distance) C4'-P energy: -108.820
bonds (distance) P-C4' energy: -96.226
flat angles C4'-P-C4' energy: -80.051
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: 21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2268.682159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.682159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.682159 (E_RNA)
where:
Base-Base interactions energy: -1628.678
where: short stacking energy: -627.256
Base-Backbone interact. energy: -0.256
local terms energy: -639.747809
where:
bonds (distance) C4'-P energy: -113.791
bonds (distance) P-C4' energy: -125.204
flat angles C4'-P-C4' energy: -136.529
flat angles P-C4'-P energy: -86.649
tors. eta vs tors. theta energy: -177.575
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: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2087.668886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.668886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.668886 (E_RNA)
where:
Base-Base interactions energy: -1400.773
where: short stacking energy: -580.936
Base-Backbone interact. energy: -2.222
local terms energy: -684.674046
where:
bonds (distance) C4'-P energy: -140.676
bonds (distance) P-C4' energy: -113.420
flat angles C4'-P-C4' energy: -141.283
flat angles P-C4'-P energy: -97.580
tors. eta vs tors. theta energy: -191.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1998.166515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.166515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.166515 (E_RNA)
where:
Base-Base interactions energy: -1373.437
where: short stacking energy: -549.182
Base-Backbone interact. energy: -1.190
local terms energy: -623.539846
where:
bonds (distance) C4'-P energy: -112.170
bonds (distance) P-C4' energy: -135.149
flat angles C4'-P-C4' energy: -128.363
flat angles P-C4'-P energy: -85.625
tors. eta vs tors. theta energy: -162.233
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: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1873.654023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.654023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.654023 (E_RNA)
where:
Base-Base interactions energy: -1281.316
where: short stacking energy: -510.674
Base-Backbone interact. energy: 6.372
local terms energy: -598.710547
where:
bonds (distance) C4'-P energy: -118.372
bonds (distance) P-C4' energy: -120.979
flat angles C4'-P-C4' energy: -121.374
flat angles P-C4'-P energy: -89.636
tors. eta vs tors. theta energy: -148.350
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: 149
Temperature: 1.100000
Total energy: -1764.548083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.548083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.548083 (E_RNA)
where:
Base-Base interactions energy: -1199.508
where: short stacking energy: -464.145
Base-Backbone interact. energy: 0.430
local terms energy: -565.469638
where:
bonds (distance) C4'-P energy: -115.834
bonds (distance) P-C4' energy: -109.453
flat angles C4'-P-C4' energy: -128.678
flat angles P-C4'-P energy: -84.406
tors. eta vs tors. theta energy: -127.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1558.841443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.841443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.841443 (E_RNA)
where:
Base-Base interactions energy: -1023.437
where: short stacking energy: -395.723
Base-Backbone interact. energy: -1.306
local terms energy: -534.098422
where:
bonds (distance) C4'-P energy: -114.733
bonds (distance) P-C4' energy: -126.457
flat angles C4'-P-C4' energy: -113.710
flat angles P-C4'-P energy: -73.483
tors. eta vs tors. theta energy: -105.715
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: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1478.562787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.562787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.562787 (E_RNA)
where:
Base-Base interactions energy: -961.309
where: short stacking energy: -419.368
Base-Backbone interact. energy: 0.605
local terms energy: -517.858984
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -107.907
flat angles C4'-P-C4' energy: -105.571
flat angles P-C4'-P energy: -75.516
tors. eta vs tors. theta energy: -116.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -927.723319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.723319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.723319 (E_RNA)
where:
Base-Base interactions energy: -534.504
where: short stacking energy: -257.054
Base-Backbone interact. energy: 2.865
local terms energy: -396.084060
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -112.335
flat angles C4'-P-C4' energy: -103.077
flat angles P-C4'-P energy: -56.730
tors. eta vs tors. theta energy: -34.616
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: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -599.607548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.607548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.607548 (E_RNA)
where:
Base-Base interactions energy: -250.078
where: short stacking energy: -146.110
Base-Backbone interact. energy: -0.465
local terms energy: -349.064270
where:
bonds (distance) C4'-P energy: -94.792
bonds (distance) P-C4' energy: -102.982
flat angles C4'-P-C4' energy: -100.331
flat angles P-C4'-P energy: -51.373
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -456.302273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.302273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.302273 (E_RNA)
where:
Base-Base interactions energy: -145.257
where: short stacking energy: -115.656
Base-Backbone interact. energy: 1.832
local terms energy: -312.876956
where:
bonds (distance) C4'-P energy: -102.394
bonds (distance) P-C4' energy: -99.867
flat angles C4'-P-C4' energy: -94.798
flat angles P-C4'-P energy: -45.147
tors. eta vs tors. theta energy: 29.329
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: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2257.885228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.885228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.885228 (E_RNA)
where:
Base-Base interactions energy: -1601.403
where: short stacking energy: -592.611
Base-Backbone interact. energy: -1.450
local terms energy: -655.031659
where:
bonds (distance) C4'-P energy: -114.077
bonds (distance) P-C4' energy: -129.583
flat angles C4'-P-C4' energy: -138.937
flat angles P-C4'-P energy: -98.187
tors. eta vs tors. theta energy: -174.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2107.017012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.017012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.017012 (E_RNA)
where:
Base-Base interactions energy: -1408.022
where: short stacking energy: -596.504
Base-Backbone interact. energy: -3.763
local terms energy: -695.232213
where:
bonds (distance) C4'-P energy: -117.861
bonds (distance) P-C4' energy: -136.554
flat angles C4'-P-C4' energy: -150.573
flat angles P-C4'-P energy: -101.663
tors. eta vs tors. theta energy: -188.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1983.517769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.517769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.517769 (E_RNA)
where:
Base-Base interactions energy: -1365.894
where: short stacking energy: -554.047
Base-Backbone interact. energy: -1.547
local terms energy: -616.076957
where:
bonds (distance) C4'-P energy: -116.098
bonds (distance) P-C4' energy: -109.934
flat angles C4'-P-C4' energy: -146.790
flat angles P-C4'-P energy: -87.314
tors. eta vs tors. theta energy: -155.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1922.691635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.691635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.691635 (E_RNA)
where:
Base-Base interactions energy: -1342.668
where: short stacking energy: -534.998
Base-Backbone interact. energy: -0.689
local terms energy: -579.334998
where:
bonds (distance) C4'-P energy: -88.701
bonds (distance) P-C4' energy: -124.144
flat angles C4'-P-C4' energy: -127.386
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -156.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1767.710231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.710231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.710231 (E_RNA)
where:
Base-Base interactions energy: -1186.578
where: short stacking energy: -470.803
Base-Backbone interact. energy: -0.609
local terms energy: -580.523551
where:
bonds (distance) C4'-P energy: -115.804
bonds (distance) P-C4' energy: -121.306
flat angles C4'-P-C4' energy: -132.438
flat angles P-C4'-P energy: -79.041
tors. eta vs tors. theta energy: -131.935
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: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1569.761641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.761641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.761641 (E_RNA)
where:
Base-Base interactions energy: -1044.027
where: short stacking energy: -437.617
Base-Backbone interact. energy: -1.273
local terms energy: -524.461837
where:
bonds (distance) C4'-P energy: -108.702
bonds (distance) P-C4' energy: -99.825
flat angles C4'-P-C4' energy: -123.636
flat angles P-C4'-P energy: -73.774
tors. eta vs tors. theta energy: -118.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1437.953453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.953453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.953453 (E_RNA)
where:
Base-Base interactions energy: -959.183
where: short stacking energy: -397.388
Base-Backbone interact. energy: -0.688
local terms energy: -478.082542
where:
bonds (distance) C4'-P energy: -82.100
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -102.880
flat angles P-C4'-P energy: -58.513
tors. eta vs tors. theta energy: -121.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -963.924343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.924343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.924343 (E_RNA)
where:
Base-Base interactions energy: -543.217
where: short stacking energy: -249.999
Base-Backbone interact. energy: -2.618
local terms energy: -418.089399
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -106.843
flat angles C4'-P-C4' energy: -102.128
flat angles P-C4'-P energy: -62.434
tors. eta vs tors. theta energy: -52.432
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: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -645.587975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.587975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.587975 (E_RNA)
where:
Base-Base interactions energy: -292.373
where: short stacking energy: -184.624
Base-Backbone interact. energy: 0.642
local terms energy: -353.856785
where:
bonds (distance) C4'-P energy: -97.624
bonds (distance) P-C4' energy: -113.176
flat angles C4'-P-C4' energy: -93.383
flat angles P-C4'-P energy: -41.224
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: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -469.690912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.690912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.690912 (E_RNA)
where:
Base-Base interactions energy: -153.035
where: short stacking energy: -118.516
Base-Backbone interact. energy: -1.161
local terms energy: -315.494665
where:
bonds (distance) C4'-P energy: -96.082
bonds (distance) P-C4' energy: -115.824
flat angles C4'-P-C4' energy: -79.189
flat angles P-C4'-P energy: -46.333
tors. eta vs tors. theta energy: 21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2252.526890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.526890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.526890 (E_RNA)
where:
Base-Base interactions energy: -1581.720
where: short stacking energy: -586.165
Base-Backbone interact. energy: -3.924
local terms energy: -666.882320
where:
bonds (distance) C4'-P energy: -122.807
bonds (distance) P-C4' energy: -130.071
flat angles C4'-P-C4' energy: -139.960
flat angles P-C4'-P energy: -102.152
tors. eta vs tors. theta energy: -171.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2070.609713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.609713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.609713 (E_RNA)
where:
Base-Base interactions energy: -1406.351
where: short stacking energy: -596.037
Base-Backbone interact. energy: -6.198
local terms energy: -658.060651
where:
bonds (distance) C4'-P energy: -104.253
bonds (distance) P-C4' energy: -115.978
flat angles C4'-P-C4' energy: -155.260
flat angles P-C4'-P energy: -97.513
tors. eta vs tors. theta energy: -185.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2003.613003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.613003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.613003 (E_RNA)
where:
Base-Base interactions energy: -1381.454
where: short stacking energy: -575.953
Base-Backbone interact. energy: -4.254
local terms energy: -617.904220
where:
bonds (distance) C4'-P energy: -113.142
bonds (distance) P-C4' energy: -108.707
flat angles C4'-P-C4' energy: -132.817
flat angles P-C4'-P energy: -95.296
tors. eta vs tors. theta energy: -167.942
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: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1925.028196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.028196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.028196 (E_RNA)
where:
Base-Base interactions energy: -1327.642
where: short stacking energy: -546.382
Base-Backbone interact. energy: 0.771
local terms energy: -598.156829
where:
bonds (distance) C4'-P energy: -113.927
bonds (distance) P-C4' energy: -113.120
flat angles C4'-P-C4' energy: -130.721
flat angles P-C4'-P energy: -88.896
tors. eta vs tors. theta energy: -151.492
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: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1758.425715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.425715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.425715 (E_RNA)
where:
Base-Base interactions energy: -1195.156
where: short stacking energy: -483.338
Base-Backbone interact. energy: 1.783
local terms energy: -565.052666
where:
bonds (distance) C4'-P energy: -110.517
bonds (distance) P-C4' energy: -104.729
flat angles C4'-P-C4' energy: -115.885
flat angles P-C4'-P energy: -87.074
tors. eta vs tors. theta energy: -146.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1558.359942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.359942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.359942 (E_RNA)
where:
Base-Base interactions energy: -1048.050
where: short stacking energy: -438.413
Base-Backbone interact. energy: -1.465
local terms energy: -508.845367
where:
bonds (distance) C4'-P energy: -94.722
bonds (distance) P-C4' energy: -90.046
flat angles C4'-P-C4' energy: -124.524
flat angles P-C4'-P energy: -75.086
tors. eta vs tors. theta energy: -124.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1383.834295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.834295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.834295 (E_RNA)
where:
Base-Base interactions energy: -886.403
where: short stacking energy: -377.859
Base-Backbone interact. energy: 2.499
local terms energy: -499.929870
where:
bonds (distance) C4'-P energy: -116.288
bonds (distance) P-C4' energy: -113.805
flat angles C4'-P-C4' energy: -107.496
flat angles P-C4'-P energy: -64.223
tors. eta vs tors. theta energy: -98.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1037.230089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.230089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.230089 (E_RNA)
where:
Base-Base interactions energy: -629.079
where: short stacking energy: -275.877
Base-Backbone interact. energy: 0.445
local terms energy: -408.595841
where:
bonds (distance) C4'-P energy: -102.635
bonds (distance) P-C4' energy: -101.211
flat angles C4'-P-C4' energy: -104.936
flat angles P-C4'-P energy: -54.442
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -655.815445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.815445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.815445 (E_RNA)
where:
Base-Base interactions energy: -298.506
where: short stacking energy: -188.330
Base-Backbone interact. energy: 0.132
local terms energy: -357.440753
where:
bonds (distance) C4'-P energy: -90.481
bonds (distance) P-C4' energy: -110.000
flat angles C4'-P-C4' energy: -99.915
flat angles P-C4'-P energy: -59.070
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -528.486367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.486367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.486367 (E_RNA)
where:
Base-Base interactions energy: -199.458
where: short stacking energy: -151.086
Base-Backbone interact. energy: -0.275
local terms energy: -328.753581
where:
bonds (distance) C4'-P energy: -109.086
bonds (distance) P-C4' energy: -92.224
flat angles C4'-P-C4' energy: -89.879
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: 3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2275.578535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.578535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.578535 (E_RNA)
where:
Base-Base interactions energy: -1620.153
where: short stacking energy: -593.908
Base-Backbone interact. energy: 3.200
local terms energy: -658.626202
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -133.428
flat angles C4'-P-C4' energy: -142.567
flat angles P-C4'-P energy: -91.097
tors. eta vs tors. theta energy: -173.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2056.452529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.452529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.452529 (E_RNA)
where:
Base-Base interactions energy: -1411.381
where: short stacking energy: -603.559
Base-Backbone interact. energy: -0.339
local terms energy: -644.732474
where:
bonds (distance) C4'-P energy: -104.887
bonds (distance) P-C4' energy: -122.317
flat angles C4'-P-C4' energy: -145.340
flat angles P-C4'-P energy: -83.154
tors. eta vs tors. theta energy: -189.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1942.811781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.811781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.811781 (E_RNA)
where:
Base-Base interactions energy: -1353.805
where: short stacking energy: -521.783
Base-Backbone interact. energy: -5.196
local terms energy: -583.811482
where:
bonds (distance) C4'-P energy: -120.520
bonds (distance) P-C4' energy: -106.550
flat angles C4'-P-C4' energy: -129.638
flat angles P-C4'-P energy: -83.904
tors. eta vs tors. theta energy: -143.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1919.447488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.447488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.447488 (E_RNA)
where:
Base-Base interactions energy: -1322.307
where: short stacking energy: -529.478
Base-Backbone interact. energy: 5.378
local terms energy: -602.518532
where:
bonds (distance) C4'-P energy: -113.821
bonds (distance) P-C4' energy: -120.033
flat angles C4'-P-C4' energy: -115.379
flat angles P-C4'-P energy: -88.096
tors. eta vs tors. theta energy: -165.189
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: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1723.085097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.085097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.085097 (E_RNA)
where:
Base-Base interactions energy: -1171.909
where: short stacking energy: -504.897
Base-Backbone interact. energy: 1.016
local terms energy: -552.192731
where:
bonds (distance) C4'-P energy: -100.700
bonds (distance) P-C4' energy: -102.282
flat angles C4'-P-C4' energy: -131.169
flat angles P-C4'-P energy: -80.606
tors. eta vs tors. theta energy: -137.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1508.795802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.795802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.795802 (E_RNA)
where:
Base-Base interactions energy: -970.852
where: short stacking energy: -416.397
Base-Backbone interact. energy: 3.544
local terms energy: -541.487251
where:
bonds (distance) C4'-P energy: -102.994
bonds (distance) P-C4' energy: -116.429
flat angles C4'-P-C4' energy: -118.499
flat angles P-C4'-P energy: -83.558
tors. eta vs tors. theta energy: -120.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1428.879275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.879275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.879275 (E_RNA)
where:
Base-Base interactions energy: -944.655
where: short stacking energy: -374.716
Base-Backbone interact. energy: -1.194
local terms energy: -483.030289
where:
bonds (distance) C4'-P energy: -103.186
bonds (distance) P-C4' energy: -101.637
flat angles C4'-P-C4' energy: -117.134
flat angles P-C4'-P energy: -73.641
tors. eta vs tors. theta energy: -87.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1042.910858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.910858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.910858 (E_RNA)
where:
Base-Base interactions energy: -608.132
where: short stacking energy: -283.409
Base-Backbone interact. energy: -1.180
local terms energy: -433.599716
where:
bonds (distance) C4'-P energy: -115.610
bonds (distance) P-C4' energy: -119.865
flat angles C4'-P-C4' energy: -103.875
flat angles P-C4'-P energy: -58.806
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -627.899770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.899770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.899770 (E_RNA)
where:
Base-Base interactions energy: -268.981
where: short stacking energy: -180.184
Base-Backbone interact. energy: -2.209
local terms energy: -356.710414
where:
bonds (distance) C4'-P energy: -101.096
bonds (distance) P-C4' energy: -113.552
flat angles C4'-P-C4' energy: -85.336
flat angles P-C4'-P energy: -60.040
tors. eta vs tors. theta energy: 3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -506.335322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.335322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.335322 (E_RNA)
where:
Base-Base interactions energy: -188.148
where: short stacking energy: -126.141
Base-Backbone interact. energy: 10.099
local terms energy: -328.286227
where:
bonds (distance) C4'-P energy: -104.923
bonds (distance) P-C4' energy: -108.081
flat angles C4'-P-C4' energy: -70.898
flat angles P-C4'-P energy: -56.457
tors. eta vs tors. theta energy: 12.072
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: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2289.652127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.652127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.652127 (E_RNA)
where:
Base-Base interactions energy: -1653.717
where: short stacking energy: -603.963
Base-Backbone interact. energy: -3.064
local terms energy: -632.871161
where:
bonds (distance) C4'-P energy: -123.583
bonds (distance) P-C4' energy: -121.340
flat angles C4'-P-C4' energy: -131.295
flat angles P-C4'-P energy: -85.955
tors. eta vs tors. theta energy: -170.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2092.036669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.036669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.036669 (E_RNA)
where:
Base-Base interactions energy: -1433.270
where: short stacking energy: -613.006
Base-Backbone interact. energy: -0.999
local terms energy: -657.768081
where:
bonds (distance) C4'-P energy: -103.682
bonds (distance) P-C4' energy: -122.895
flat angles C4'-P-C4' energy: -154.604
flat angles P-C4'-P energy: -88.983
tors. eta vs tors. theta energy: -187.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1961.211565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.211565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.211565 (E_RNA)
where:
Base-Base interactions energy: -1352.393
where: short stacking energy: -526.753
Base-Backbone interact. energy: -3.580
local terms energy: -605.238246
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -115.898
flat angles C4'-P-C4' energy: -131.900
flat angles P-C4'-P energy: -84.220
tors. eta vs tors. theta energy: -153.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1910.840086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.840086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.840086 (E_RNA)
where:
Base-Base interactions energy: -1313.376
where: short stacking energy: -535.326
Base-Backbone interact. energy: -3.080
local terms energy: -594.383702
where:
bonds (distance) C4'-P energy: -102.199
bonds (distance) P-C4' energy: -119.100
flat angles C4'-P-C4' energy: -135.800
flat angles P-C4'-P energy: -79.496
tors. eta vs tors. theta energy: -157.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1777.636817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.636817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.636817 (E_RNA)
where:
Base-Base interactions energy: -1183.231
where: short stacking energy: -483.232
Base-Backbone interact. energy: -1.401
local terms energy: -593.004841
where:
bonds (distance) C4'-P energy: -118.833
bonds (distance) P-C4' energy: -124.676
flat angles C4'-P-C4' energy: -128.954
flat angles P-C4'-P energy: -84.471
tors. eta vs tors. theta energy: -136.071
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: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1553.050302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.050302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.050302 (E_RNA)
where:
Base-Base interactions energy: -1034.669
where: short stacking energy: -426.811
Base-Backbone interact. energy: -2.736
local terms energy: -515.644797
where:
bonds (distance) C4'-P energy: -119.249
bonds (distance) P-C4' energy: -92.299
flat angles C4'-P-C4' energy: -109.699
flat angles P-C4'-P energy: -81.139
tors. eta vs tors. theta energy: -113.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1355.922205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.922205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.922205 (E_RNA)
where:
Base-Base interactions energy: -851.457
where: short stacking energy: -381.383
Base-Backbone interact. energy: -1.824
local terms energy: -502.641000
where:
bonds (distance) C4'-P energy: -108.701
bonds (distance) P-C4' energy: -107.226
flat angles C4'-P-C4' energy: -110.702
flat angles P-C4'-P energy: -75.179
tors. eta vs tors. theta energy: -100.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -983.844750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.844750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.844750 (E_RNA)
where:
Base-Base interactions energy: -583.486
where: short stacking energy: -278.887
Base-Backbone interact. energy: -0.634
local terms energy: -399.724703
where:
bonds (distance) C4'-P energy: -93.160
bonds (distance) P-C4' energy: -103.664
flat angles C4'-P-C4' energy: -93.696
flat angles P-C4'-P energy: -62.859
tors. eta vs tors. theta energy: -46.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -710.035580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.035580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.035580 (E_RNA)
where:
Base-Base interactions energy: -329.548
where: short stacking energy: -187.438
Base-Backbone interact. energy: -2.253
local terms energy: -378.235122
where:
bonds (distance) C4'-P energy: -100.652
bonds (distance) P-C4' energy: -104.102
flat angles C4'-P-C4' energy: -91.340
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -25.297
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: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -476.043764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.043764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.043764 (E_RNA)
where:
Base-Base interactions energy: -127.731
where: short stacking energy: -101.103
Base-Backbone interact. energy: 2.595
local terms energy: -350.907962
where:
bonds (distance) C4'-P energy: -106.452
bonds (distance) P-C4' energy: -105.120
flat angles C4'-P-C4' energy: -99.430
flat angles P-C4'-P energy: -64.271
tors. eta vs tors. theta energy: 24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2298.965145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.965145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.965145 (E_RNA)
where:
Base-Base interactions energy: -1641.804
where: short stacking energy: -600.089
Base-Backbone interact. energy: -4.786
local terms energy: -652.375886
where:
bonds (distance) C4'-P energy: -119.841
bonds (distance) P-C4' energy: -120.584
flat angles C4'-P-C4' energy: -138.831
flat angles P-C4'-P energy: -93.646
tors. eta vs tors. theta energy: -179.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2104.557689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.557689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.557689 (E_RNA)
where:
Base-Base interactions energy: -1461.579
where: short stacking energy: -583.165
Base-Backbone interact. energy: -4.911
local terms energy: -638.068114
where:
bonds (distance) C4'-P energy: -116.888
bonds (distance) P-C4' energy: -125.653
flat angles C4'-P-C4' energy: -140.101
flat angles P-C4'-P energy: -79.247
tors. eta vs tors. theta energy: -176.179
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: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1957.281541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.281541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.281541 (E_RNA)
where:
Base-Base interactions energy: -1340.321
where: short stacking energy: -542.600
Base-Backbone interact. energy: 0.284
local terms energy: -617.244371
where:
bonds (distance) C4'-P energy: -110.390
bonds (distance) P-C4' energy: -134.180
flat angles C4'-P-C4' energy: -124.939
flat angles P-C4'-P energy: -83.266
tors. eta vs tors. theta energy: -164.469
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: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1922.471211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.471211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.471211 (E_RNA)
where:
Base-Base interactions energy: -1336.811
where: short stacking energy: -525.122
Base-Backbone interact. energy: 3.784
local terms energy: -589.443853
where:
bonds (distance) C4'-P energy: -106.452
bonds (distance) P-C4' energy: -93.204
flat angles C4'-P-C4' energy: -134.945
flat angles P-C4'-P energy: -99.011
tors. eta vs tors. theta energy: -155.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1888.123921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.123921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.123921 (E_RNA)
where:
Base-Base interactions energy: -1291.875
where: short stacking energy: -519.173
Base-Backbone interact. energy: 0.349
local terms energy: -596.597874
where:
bonds (distance) C4'-P energy: -120.188
bonds (distance) P-C4' energy: -102.320
flat angles C4'-P-C4' energy: -133.926
flat angles P-C4'-P energy: -87.522
tors. eta vs tors. theta energy: -152.642
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: 154
Temperature: 1.150000
Total energy: -1605.585735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.585735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.585735 (E_RNA)
where:
Base-Base interactions energy: -1058.322
where: short stacking energy: -437.260
Base-Backbone interact. energy: -2.685
local terms energy: -544.578520
where:
bonds (distance) C4'-P energy: -107.692
bonds (distance) P-C4' energy: -109.142
flat angles C4'-P-C4' energy: -109.735
flat angles P-C4'-P energy: -95.973
tors. eta vs tors. theta energy: -122.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1320.106535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.106535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.106535 (E_RNA)
where:
Base-Base interactions energy: -844.162
where: short stacking energy: -338.029
Base-Backbone interact. energy: -5.973
local terms energy: -469.972062
where:
bonds (distance) C4'-P energy: -114.501
bonds (distance) P-C4' energy: -116.588
flat angles C4'-P-C4' energy: -112.048
flat angles P-C4'-P energy: -53.996
tors. eta vs tors. theta energy: -72.839
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: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1031.695356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.695356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.695356 (E_RNA)
where:
Base-Base interactions energy: -581.077
where: short stacking energy: -265.593
Base-Backbone interact. energy: -1.935
local terms energy: -448.682679
where:
bonds (distance) C4'-P energy: -120.016
bonds (distance) P-C4' energy: -114.652
flat angles C4'-P-C4' energy: -88.193
flat angles P-C4'-P energy: -64.122
tors. eta vs tors. theta energy: -61.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -710.929377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.929377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.929377 (E_RNA)
where:
Base-Base interactions energy: -323.522
where: short stacking energy: -183.459
Base-Backbone interact. energy: -2.356
local terms energy: -385.051167
where:
bonds (distance) C4'-P energy: -105.757
bonds (distance) P-C4' energy: -116.120
flat angles C4'-P-C4' energy: -85.941
flat angles P-C4'-P energy: -64.609
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -462.114768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.114768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.114768 (E_RNA)
where:
Base-Base interactions energy: -159.229
where: short stacking energy: -141.146
Base-Backbone interact. energy: 10.609
local terms energy: -313.494613
where:
bonds (distance) C4'-P energy: -105.549
bonds (distance) P-C4' energy: -102.728
flat angles C4'-P-C4' energy: -77.917
flat angles P-C4'-P energy: -35.406
tors. eta vs tors. theta energy: 8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2317.486270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.486270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.486270 (E_RNA)
where:
Base-Base interactions energy: -1645.391
where: short stacking energy: -616.803
Base-Backbone interact. energy: -3.128
local terms energy: -668.967189
where:
bonds (distance) C4'-P energy: -125.070
bonds (distance) P-C4' energy: -129.622
flat angles C4'-P-C4' energy: -144.974
flat angles P-C4'-P energy: -95.220
tors. eta vs tors. theta energy: -174.080
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: 155
Temperature: 0.950000
Total energy: -2105.452651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.452651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.452651 (E_RNA)
where:
Base-Base interactions energy: -1449.781
where: short stacking energy: -610.513
Base-Backbone interact. energy: -4.000
local terms energy: -651.670950
where:
bonds (distance) C4'-P energy: -113.082
bonds (distance) P-C4' energy: -134.004
flat angles C4'-P-C4' energy: -136.476
flat angles P-C4'-P energy: -86.604
tors. eta vs tors. theta energy: -181.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1962.374592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.374592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.374592 (E_RNA)
where:
Base-Base interactions energy: -1354.921
where: short stacking energy: -552.176
Base-Backbone interact. energy: -0.029
local terms energy: -607.424836
where:
bonds (distance) C4'-P energy: -101.410
bonds (distance) P-C4' energy: -118.468
flat angles C4'-P-C4' energy: -138.765
flat angles P-C4'-P energy: -91.809
tors. eta vs tors. theta energy: -156.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1915.329514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.329514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.329514 (E_RNA)
where:
Base-Base interactions energy: -1322.706
where: short stacking energy: -535.840
Base-Backbone interact. energy: -0.234
local terms energy: -592.389102
where:
bonds (distance) C4'-P energy: -108.045
bonds (distance) P-C4' energy: -116.150
flat angles C4'-P-C4' energy: -135.697
flat angles P-C4'-P energy: -76.631
tors. eta vs tors. theta energy: -155.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1886.287156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.287156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.287156 (E_RNA)
where:
Base-Base interactions energy: -1304.467
where: short stacking energy: -536.432
Base-Backbone interact. energy: -2.680
local terms energy: -579.140446
where:
bonds (distance) C4'-P energy: -93.929
bonds (distance) P-C4' energy: -109.483
flat angles C4'-P-C4' energy: -130.596
flat angles P-C4'-P energy: -93.363
tors. eta vs tors. theta energy: -151.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1558.003584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.003584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.003584 (E_RNA)
where:
Base-Base interactions energy: -1025.036
where: short stacking energy: -435.243
Base-Backbone interact. energy: -2.459
local terms energy: -530.508378
where:
bonds (distance) C4'-P energy: -105.235
bonds (distance) P-C4' energy: -113.394
flat angles C4'-P-C4' energy: -111.702
flat angles P-C4'-P energy: -88.079
tors. eta vs tors. theta energy: -112.099
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: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1369.743783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.743783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.743783 (E_RNA)
where:
Base-Base interactions energy: -852.499
where: short stacking energy: -379.981
Base-Backbone interact. energy: -4.600
local terms energy: -512.645361
where:
bonds (distance) C4'-P energy: -118.768
bonds (distance) P-C4' energy: -108.183
flat angles C4'-P-C4' energy: -117.870
flat angles P-C4'-P energy: -69.803
tors. eta vs tors. theta energy: -98.021
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: 155
Temperature: 1.250000
Total energy: -1010.345628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.345628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.345628 (E_RNA)
where:
Base-Base interactions energy: -603.630
where: short stacking energy: -294.381
Base-Backbone interact. energy: -1.744
local terms energy: -404.971515
where:
bonds (distance) C4'-P energy: -79.001
bonds (distance) P-C4' energy: -102.658
flat angles C4'-P-C4' energy: -113.009
flat angles P-C4'-P energy: -60.119
tors. eta vs tors. theta energy: -50.184
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: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -678.767701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.767701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.767701 (E_RNA)
where:
Base-Base interactions energy: -288.809
where: short stacking energy: -172.800
Base-Backbone interact. energy: 0.090
local terms energy: -390.048646
where:
bonds (distance) C4'-P energy: -118.078
bonds (distance) P-C4' energy: -116.818
flat angles C4'-P-C4' energy: -102.793
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -453.266196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.266196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.266196 (E_RNA)
where:
Base-Base interactions energy: -126.189
where: short stacking energy: -109.694
Base-Backbone interact. energy: -0.851
local terms energy: -326.225352
where:
bonds (distance) C4'-P energy: -105.872
bonds (distance) P-C4' energy: -99.686
flat angles C4'-P-C4' energy: -96.973
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: 23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2294.401820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.401820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.401820 (E_RNA)
where:
Base-Base interactions energy: -1637.185
where: short stacking energy: -615.005
Base-Backbone interact. energy: -2.225
local terms energy: -654.992005
where:
bonds (distance) C4'-P energy: -123.163
bonds (distance) P-C4' energy: -113.080
flat angles C4'-P-C4' energy: -143.202
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -183.383
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: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2113.737076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.737076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.737076 (E_RNA)
where:
Base-Base interactions energy: -1421.119
where: short stacking energy: -612.632
Base-Backbone interact. energy: -1.667
local terms energy: -690.951220
where:
bonds (distance) C4'-P energy: -126.525
bonds (distance) P-C4' energy: -123.635
flat angles C4'-P-C4' energy: -149.302
flat angles P-C4'-P energy: -100.658
tors. eta vs tors. theta energy: -190.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1983.163687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.163687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.163687 (E_RNA)
where:
Base-Base interactions energy: -1362.642
where: short stacking energy: -549.956
Base-Backbone interact. energy: -2.212
local terms energy: -618.309680
where:
bonds (distance) C4'-P energy: -114.712
bonds (distance) P-C4' energy: -117.493
flat angles C4'-P-C4' energy: -140.930
flat angles P-C4'-P energy: -87.849
tors. eta vs tors. theta energy: -157.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1936.546148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.546148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.546148 (E_RNA)
where:
Base-Base interactions energy: -1347.214
where: short stacking energy: -522.752
Base-Backbone interact. energy: -3.252
local terms energy: -586.079725
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -103.744
flat angles C4'-P-C4' energy: -134.152
flat angles P-C4'-P energy: -78.447
tors. eta vs tors. theta energy: -157.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1863.121106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.121106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.121106 (E_RNA)
where:
Base-Base interactions energy: -1280.868
where: short stacking energy: -512.685
Base-Backbone interact. energy: 4.655
local terms energy: -586.908843
where:
bonds (distance) C4'-P energy: -118.973
bonds (distance) P-C4' energy: -104.262
flat angles C4'-P-C4' energy: -127.068
flat angles P-C4'-P energy: -94.601
tors. eta vs tors. theta energy: -142.005
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: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1552.212560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.212560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.212560 (E_RNA)
where:
Base-Base interactions energy: -1023.609
where: short stacking energy: -450.429
Base-Backbone interact. energy: -1.426
local terms energy: -527.177654
where:
bonds (distance) C4'-P energy: -106.211
bonds (distance) P-C4' energy: -109.317
flat angles C4'-P-C4' energy: -122.218
flat angles P-C4'-P energy: -71.953
tors. eta vs tors. theta energy: -117.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1378.852857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.852857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.852857 (E_RNA)
where:
Base-Base interactions energy: -873.809
where: short stacking energy: -349.770
Base-Backbone interact. energy: -2.541
local terms energy: -502.502613
where:
bonds (distance) C4'-P energy: -110.479
bonds (distance) P-C4' energy: -119.549
flat angles C4'-P-C4' energy: -113.852
flat angles P-C4'-P energy: -64.005
tors. eta vs tors. theta energy: -94.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1030.158863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.158863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.158863 (E_RNA)
where:
Base-Base interactions energy: -589.512
where: short stacking energy: -279.486
Base-Backbone interact. energy: 0.434
local terms energy: -441.081216
where:
bonds (distance) C4'-P energy: -101.121
bonds (distance) P-C4' energy: -118.367
flat angles C4'-P-C4' energy: -106.662
flat angles P-C4'-P energy: -77.061
tors. eta vs tors. theta energy: -37.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -618.071757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.071757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.071757 (E_RNA)
where:
Base-Base interactions energy: -277.092
where: short stacking energy: -157.741
Base-Backbone interact. energy: -1.067
local terms energy: -339.912592
where:
bonds (distance) C4'-P energy: -97.637
bonds (distance) P-C4' energy: -112.806
flat angles C4'-P-C4' energy: -90.671
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: 13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -460.340785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.340785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.340785 (E_RNA)
where:
Base-Base interactions energy: -150.345
where: short stacking energy: -118.658
Base-Backbone interact. energy: 8.601
local terms energy: -318.597594
where:
bonds (distance) C4'-P energy: -102.407
bonds (distance) P-C4' energy: -113.333
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -57.192
tors. eta vs tors. theta energy: 25.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2257.500044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.500044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.500044 (E_RNA)
where:
Base-Base interactions energy: -1594.955
where: short stacking energy: -615.006
Base-Backbone interact. energy: 0.382
local terms energy: -662.926859
where:
bonds (distance) C4'-P energy: -120.247
bonds (distance) P-C4' energy: -132.281
flat angles C4'-P-C4' energy: -145.038
flat angles P-C4'-P energy: -92.691
tors. eta vs tors. theta energy: -172.670
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: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2107.556756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.556756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.556756 (E_RNA)
where:
Base-Base interactions energy: -1433.909
where: short stacking energy: -610.499
Base-Backbone interact. energy: 1.932
local terms energy: -675.579646
where:
bonds (distance) C4'-P energy: -126.758
bonds (distance) P-C4' energy: -125.061
flat angles C4'-P-C4' energy: -140.739
flat angles P-C4'-P energy: -93.245
tors. eta vs tors. theta energy: -189.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1953.072604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.072604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.072604 (E_RNA)
where:
Base-Base interactions energy: -1329.781
where: short stacking energy: -546.689
Base-Backbone interact. energy: -2.084
local terms energy: -621.208202
where:
bonds (distance) C4'-P energy: -119.265
bonds (distance) P-C4' energy: -102.597
flat angles C4'-P-C4' energy: -143.942
flat angles P-C4'-P energy: -93.107
tors. eta vs tors. theta energy: -162.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1900.019481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.019481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.019481 (E_RNA)
where:
Base-Base interactions energy: -1310.838
where: short stacking energy: -533.614
Base-Backbone interact. energy: -2.538
local terms energy: -586.644289
where:
bonds (distance) C4'-P energy: -114.263
bonds (distance) P-C4' energy: -126.087
flat angles C4'-P-C4' energy: -113.310
flat angles P-C4'-P energy: -76.149
tors. eta vs tors. theta energy: -156.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1788.560851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.560851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.560851 (E_RNA)
where:
Base-Base interactions energy: -1206.055
where: short stacking energy: -489.039
Base-Backbone interact. energy: -5.235
local terms energy: -577.270135
where:
bonds (distance) C4'-P energy: -117.045
bonds (distance) P-C4' energy: -124.861
flat angles C4'-P-C4' energy: -112.661
flat angles P-C4'-P energy: -74.818
tors. eta vs tors. theta energy: -147.886
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: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1571.211827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.211827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.211827 (E_RNA)
where:
Base-Base interactions energy: -1032.774
where: short stacking energy: -453.402
Base-Backbone interact. energy: 3.857
local terms energy: -542.294586
where:
bonds (distance) C4'-P energy: -117.233
bonds (distance) P-C4' energy: -93.641
flat angles C4'-P-C4' energy: -122.831
flat angles P-C4'-P energy: -79.479
tors. eta vs tors. theta energy: -129.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1359.731755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.731755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.731755 (E_RNA)
where:
Base-Base interactions energy: -873.561
where: short stacking energy: -375.096
Base-Backbone interact. energy: 1.076
local terms energy: -487.246493
where:
bonds (distance) C4'-P energy: -99.508
bonds (distance) P-C4' energy: -107.109
flat angles C4'-P-C4' energy: -121.172
flat angles P-C4'-P energy: -67.237
tors. eta vs tors. theta energy: -92.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1029.265413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.265413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.265413 (E_RNA)
where:
Base-Base interactions energy: -581.991
where: short stacking energy: -268.327
Base-Backbone interact. energy: 3.345
local terms energy: -450.620058
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -110.994
flat angles C4'-P-C4' energy: -99.269
flat angles P-C4'-P energy: -74.841
tors. eta vs tors. theta energy: -47.638
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: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -660.626486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.626486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.626486 (E_RNA)
where:
Base-Base interactions energy: -323.165
where: short stacking energy: -188.889
Base-Backbone interact. energy: 0.105
local terms energy: -337.566751
where:
bonds (distance) C4'-P energy: -93.218
bonds (distance) P-C4' energy: -116.123
flat angles C4'-P-C4' energy: -93.254
flat angles P-C4'-P energy: -41.646
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: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -438.281435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.281435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.281435 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -97.494
Base-Backbone interact. energy: -1.767
local terms energy: -313.442087
where:
bonds (distance) C4'-P energy: -91.780
bonds (distance) P-C4' energy: -105.518
flat angles C4'-P-C4' energy: -82.126
flat angles P-C4'-P energy: -50.230
tors. eta vs tors. theta energy: 16.212
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: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2289.536390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.536390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.536390 (E_RNA)
where:
Base-Base interactions energy: -1629.172
where: short stacking energy: -633.925
Base-Backbone interact. energy: -3.019
local terms energy: -657.345685
where:
bonds (distance) C4'-P energy: -118.239
bonds (distance) P-C4' energy: -125.734
flat angles C4'-P-C4' energy: -138.817
flat angles P-C4'-P energy: -91.249
tors. eta vs tors. theta energy: -183.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2118.385110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.385110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.385110 (E_RNA)
where:
Base-Base interactions energy: -1466.291
where: short stacking energy: -585.615
Base-Backbone interact. energy: -0.492
local terms energy: -651.602393
where:
bonds (distance) C4'-P energy: -121.374
bonds (distance) P-C4' energy: -107.313
flat angles C4'-P-C4' energy: -143.590
flat angles P-C4'-P energy: -94.415
tors. eta vs tors. theta energy: -184.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1976.126815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.126815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.126815 (E_RNA)
where:
Base-Base interactions energy: -1324.333
where: short stacking energy: -574.409
Base-Backbone interact. energy: -3.352
local terms energy: -648.442120
where:
bonds (distance) C4'-P energy: -120.636
bonds (distance) P-C4' energy: -121.729
flat angles C4'-P-C4' energy: -146.226
flat angles P-C4'-P energy: -91.905
tors. eta vs tors. theta energy: -167.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1930.775178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.775178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.775178 (E_RNA)
where:
Base-Base interactions energy: -1329.062
where: short stacking energy: -544.436
Base-Backbone interact. energy: -2.646
local terms energy: -599.066741
where:
bonds (distance) C4'-P energy: -106.256
bonds (distance) P-C4' energy: -114.924
flat angles C4'-P-C4' energy: -128.172
flat angles P-C4'-P energy: -94.810
tors. eta vs tors. theta energy: -154.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1750.100802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.100802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.100802 (E_RNA)
where:
Base-Base interactions energy: -1227.633
where: short stacking energy: -484.305
Base-Backbone interact. energy: 2.031
local terms energy: -524.498259
where:
bonds (distance) C4'-P energy: -100.907
bonds (distance) P-C4' energy: -104.919
flat angles C4'-P-C4' energy: -124.347
flat angles P-C4'-P energy: -65.063
tors. eta vs tors. theta energy: -129.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1590.723084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.723084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.723084 (E_RNA)
where:
Base-Base interactions energy: -1055.550
where: short stacking energy: -452.185
Base-Backbone interact. energy: 3.441
local terms energy: -538.613629
where:
bonds (distance) C4'-P energy: -96.193
bonds (distance) P-C4' energy: -111.360
flat angles C4'-P-C4' energy: -123.546
flat angles P-C4'-P energy: -88.015
tors. eta vs tors. theta energy: -119.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1382.036673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.036673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.036673 (E_RNA)
where:
Base-Base interactions energy: -896.080
where: short stacking energy: -404.926
Base-Backbone interact. energy: -4.445
local terms energy: -481.510857
where:
bonds (distance) C4'-P energy: -91.012
bonds (distance) P-C4' energy: -98.092
flat angles C4'-P-C4' energy: -129.172
flat angles P-C4'-P energy: -60.955
tors. eta vs tors. theta energy: -102.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1086.335375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.335375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.335375 (E_RNA)
where:
Base-Base interactions energy: -659.924
where: short stacking energy: -312.252
Base-Backbone interact. energy: 3.801
local terms energy: -430.212384
where:
bonds (distance) C4'-P energy: -97.794
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -110.841
flat angles P-C4'-P energy: -63.549
tors. eta vs tors. theta energy: -55.888
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: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -702.710086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.710086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.710086 (E_RNA)
where:
Base-Base interactions energy: -308.037
where: short stacking energy: -143.099
Base-Backbone interact. energy: 4.365
local terms energy: -399.038394
where:
bonds (distance) C4'-P energy: -113.079
bonds (distance) P-C4' energy: -113.781
flat angles C4'-P-C4' energy: -112.086
flat angles P-C4'-P energy: -69.012
tors. eta vs tors. theta energy: 8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -460.471829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.471829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.471829 (E_RNA)
where:
Base-Base interactions energy: -136.866
where: short stacking energy: -110.098
Base-Backbone interact. energy: -1.988
local terms energy: -321.617179
where:
bonds (distance) C4'-P energy: -104.889
bonds (distance) P-C4' energy: -83.431
flat angles C4'-P-C4' energy: -96.042
flat angles P-C4'-P energy: -55.425
tors. eta vs tors. theta energy: 18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2286.114986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.114986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.114986 (E_RNA)
where:
Base-Base interactions energy: -1617.686
where: short stacking energy: -599.924
Base-Backbone interact. energy: -2.831
local terms energy: -665.598126
where:
bonds (distance) C4'-P energy: -129.250
bonds (distance) P-C4' energy: -121.805
flat angles C4'-P-C4' energy: -141.598
flat angles P-C4'-P energy: -87.912
tors. eta vs tors. theta energy: -185.033
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: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2111.264141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.264141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.264141 (E_RNA)
where:
Base-Base interactions energy: -1452.915
where: short stacking energy: -599.081
Base-Backbone interact. energy: -3.932
local terms energy: -654.417101
where:
bonds (distance) C4'-P energy: -115.033
bonds (distance) P-C4' energy: -115.234
flat angles C4'-P-C4' energy: -147.048
flat angles P-C4'-P energy: -92.463
tors. eta vs tors. theta energy: -184.639
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: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2006.295934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.295934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.295934 (E_RNA)
where:
Base-Base interactions energy: -1372.438
where: short stacking energy: -569.362
Base-Backbone interact. energy: -2.817
local terms energy: -631.040692
where:
bonds (distance) C4'-P energy: -101.103
bonds (distance) P-C4' energy: -128.942
flat angles C4'-P-C4' energy: -127.226
flat angles P-C4'-P energy: -102.175
tors. eta vs tors. theta energy: -171.595
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: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1871.349754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.349754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.349754 (E_RNA)
where:
Base-Base interactions energy: -1272.175
where: short stacking energy: -514.568
Base-Backbone interact. energy: -5.295
local terms energy: -593.879442
where:
bonds (distance) C4'-P energy: -123.038
bonds (distance) P-C4' energy: -102.537
flat angles C4'-P-C4' energy: -137.551
flat angles P-C4'-P energy: -81.414
tors. eta vs tors. theta energy: -149.340
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: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1825.017943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.017943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.017943 (E_RNA)
where:
Base-Base interactions energy: -1229.189
where: short stacking energy: -508.298
Base-Backbone interact. energy: -2.293
local terms energy: -593.536717
where:
bonds (distance) C4'-P energy: -97.942
bonds (distance) P-C4' energy: -112.931
flat angles C4'-P-C4' energy: -142.893
flat angles P-C4'-P energy: -76.935
tors. eta vs tors. theta energy: -162.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1609.019956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.019956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.019956 (E_RNA)
where:
Base-Base interactions energy: -1080.631
where: short stacking energy: -451.870
Base-Backbone interact. energy: -0.250
local terms energy: -528.139263
where:
bonds (distance) C4'-P energy: -111.383
bonds (distance) P-C4' energy: -111.193
flat angles C4'-P-C4' energy: -115.294
flat angles P-C4'-P energy: -73.664
tors. eta vs tors. theta energy: -116.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1427.541066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.541066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.541066 (E_RNA)
where:
Base-Base interactions energy: -897.596
where: short stacking energy: -413.625
Base-Backbone interact. energy: 1.005
local terms energy: -530.950056
where:
bonds (distance) C4'-P energy: -108.700
bonds (distance) P-C4' energy: -108.137
flat angles C4'-P-C4' energy: -130.992
flat angles P-C4'-P energy: -66.003
tors. eta vs tors. theta energy: -117.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1093.680293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.680293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.680293 (E_RNA)
where:
Base-Base interactions energy: -655.723
where: short stacking energy: -288.186
Base-Backbone interact. energy: -2.200
local terms energy: -435.756955
where:
bonds (distance) C4'-P energy: -90.427
bonds (distance) P-C4' energy: -105.343
flat angles C4'-P-C4' energy: -104.082
flat angles P-C4'-P energy: -75.218
tors. eta vs tors. theta energy: -60.687
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: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -610.696459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.696459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.696459 (E_RNA)
where:
Base-Base interactions energy: -271.837
where: short stacking energy: -149.614
Base-Backbone interact. energy: -1.556
local terms energy: -337.303153
where:
bonds (distance) C4'-P energy: -90.750
bonds (distance) P-C4' energy: -115.060
flat angles C4'-P-C4' energy: -106.025
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: 10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -466.714828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.714828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.714828 (E_RNA)
where:
Base-Base interactions energy: -127.454
where: short stacking energy: -112.442
Base-Backbone interact. energy: -1.516
local terms energy: -337.743934
where:
bonds (distance) C4'-P energy: -86.387
bonds (distance) P-C4' energy: -107.972
flat angles C4'-P-C4' energy: -104.349
flat angles P-C4'-P energy: -60.425
tors. eta vs tors. theta energy: 21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2319.398630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.398630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.398630 (E_RNA)
where:
Base-Base interactions energy: -1659.751
where: short stacking energy: -605.580
Base-Backbone interact. energy: -3.254
local terms energy: -656.393855
where:
bonds (distance) C4'-P energy: -130.601
bonds (distance) P-C4' energy: -127.847
flat angles C4'-P-C4' energy: -143.468
flat angles P-C4'-P energy: -74.831
tors. eta vs tors. theta energy: -179.646
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: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2104.461243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.461243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.461243 (E_RNA)
where:
Base-Base interactions energy: -1455.177
where: short stacking energy: -607.660
Base-Backbone interact. energy: 0.461
local terms energy: -649.744746
where:
bonds (distance) C4'-P energy: -104.704
bonds (distance) P-C4' energy: -117.077
flat angles C4'-P-C4' energy: -143.336
flat angles P-C4'-P energy: -108.131
tors. eta vs tors. theta energy: -176.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1975.909415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.909415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.909415 (E_RNA)
where:
Base-Base interactions energy: -1351.762
where: short stacking energy: -549.829
Base-Backbone interact. energy: -3.815
local terms energy: -620.332754
where:
bonds (distance) C4'-P energy: -100.978
bonds (distance) P-C4' energy: -124.864
flat angles C4'-P-C4' energy: -140.234
flat angles P-C4'-P energy: -96.281
tors. eta vs tors. theta energy: -157.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1896.464209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.464209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.464209 (E_RNA)
where:
Base-Base interactions energy: -1301.536
where: short stacking energy: -532.797
Base-Backbone interact. energy: -1.357
local terms energy: -593.571186
where:
bonds (distance) C4'-P energy: -103.207
bonds (distance) P-C4' energy: -106.195
flat angles C4'-P-C4' energy: -137.848
flat angles P-C4'-P energy: -91.135
tors. eta vs tors. theta energy: -155.188
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1778.731252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.731252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.731252 (E_RNA)
where:
Base-Base interactions energy: -1190.519
where: short stacking energy: -497.504
Base-Backbone interact. energy: 0.436
local terms energy: -588.648300
where:
bonds (distance) C4'-P energy: -121.305
bonds (distance) P-C4' energy: -119.374
flat angles C4'-P-C4' energy: -113.638
flat angles P-C4'-P energy: -82.293
tors. eta vs tors. theta energy: -152.039
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: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1563.790390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.790390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.790390 (E_RNA)
where:
Base-Base interactions energy: -1044.004
where: short stacking energy: -448.034
Base-Backbone interact. energy: 0.690
local terms energy: -520.476163
where:
bonds (distance) C4'-P energy: -100.322
bonds (distance) P-C4' energy: -118.466
flat angles C4'-P-C4' energy: -101.230
flat angles P-C4'-P energy: -79.138
tors. eta vs tors. theta energy: -121.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1363.240346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.240346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.240346 (E_RNA)
where:
Base-Base interactions energy: -862.305
where: short stacking energy: -375.107
Base-Backbone interact. energy: -1.657
local terms energy: -499.278301
where:
bonds (distance) C4'-P energy: -109.190
bonds (distance) P-C4' energy: -108.090
flat angles C4'-P-C4' energy: -112.174
flat angles P-C4'-P energy: -72.163
tors. eta vs tors. theta energy: -97.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1112.515502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.515502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.515502 (E_RNA)
where:
Base-Base interactions energy: -657.643
where: short stacking energy: -314.183
Base-Backbone interact. energy: -1.732
local terms energy: -453.140153
where:
bonds (distance) C4'-P energy: -103.877
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -117.499
flat angles P-C4'-P energy: -69.734
tors. eta vs tors. theta energy: -62.432
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: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -644.274568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.274568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.274568 (E_RNA)
where:
Base-Base interactions energy: -267.722
where: short stacking energy: -151.061
Base-Backbone interact. energy: 1.439
local terms energy: -377.991567
where:
bonds (distance) C4'-P energy: -119.154
bonds (distance) P-C4' energy: -119.521
flat angles C4'-P-C4' energy: -98.851
flat angles P-C4'-P energy: -66.240
tors. eta vs tors. theta energy: 25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -463.737282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.737282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.737282 (E_RNA)
where:
Base-Base interactions energy: -146.324
where: short stacking energy: -124.385
Base-Backbone interact. energy: 1.479
local terms energy: -318.892311
where:
bonds (distance) C4'-P energy: -104.086
bonds (distance) P-C4' energy: -93.262
flat angles C4'-P-C4' energy: -95.895
flat angles P-C4'-P energy: -54.311
tors. eta vs tors. theta energy: 28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2304.112196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.112196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.112196 (E_RNA)
where:
Base-Base interactions energy: -1625.300
where: short stacking energy: -604.985
Base-Backbone interact. energy: -5.569
local terms energy: -673.243409
where:
bonds (distance) C4'-P energy: -125.107
bonds (distance) P-C4' energy: -123.520
flat angles C4'-P-C4' energy: -140.169
flat angles P-C4'-P energy: -99.283
tors. eta vs tors. theta energy: -185.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2070.641363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.641363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.641363 (E_RNA)
where:
Base-Base interactions energy: -1411.213
where: short stacking energy: -564.658
Base-Backbone interact. energy: -1.745
local terms energy: -657.682984
where:
bonds (distance) C4'-P energy: -130.357
bonds (distance) P-C4' energy: -122.366
flat angles C4'-P-C4' energy: -127.912
flat angles P-C4'-P energy: -108.774
tors. eta vs tors. theta energy: -168.274
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: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1990.555281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.555281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.555281 (E_RNA)
where:
Base-Base interactions energy: -1368.719
where: short stacking energy: -545.824
Base-Backbone interact. energy: -4.382
local terms energy: -617.454815
where:
bonds (distance) C4'-P energy: -115.340
bonds (distance) P-C4' energy: -122.096
flat angles C4'-P-C4' energy: -129.428
flat angles P-C4'-P energy: -91.869
tors. eta vs tors. theta energy: -158.722
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: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1865.301703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.301703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.301703 (E_RNA)
where:
Base-Base interactions energy: -1295.183
where: short stacking energy: -535.650
Base-Backbone interact. energy: -2.327
local terms energy: -567.791692
where:
bonds (distance) C4'-P energy: -92.186
bonds (distance) P-C4' energy: -118.891
flat angles C4'-P-C4' energy: -131.582
flat angles P-C4'-P energy: -86.240
tors. eta vs tors. theta energy: -138.893
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: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1854.137889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.137889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.137889 (E_RNA)
where:
Base-Base interactions energy: -1268.915
where: short stacking energy: -518.171
Base-Backbone interact. energy: 0.875
local terms energy: -586.097470
where:
bonds (distance) C4'-P energy: -107.507
bonds (distance) P-C4' energy: -114.745
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -90.411
tors. eta vs tors. theta energy: -154.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1555.374203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.374203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.374203 (E_RNA)
where:
Base-Base interactions energy: -1047.805
where: short stacking energy: -467.301
Base-Backbone interact. energy: -0.813
local terms energy: -506.756557
where:
bonds (distance) C4'-P energy: -112.396
bonds (distance) P-C4' energy: -121.335
flat angles C4'-P-C4' energy: -102.053
flat angles P-C4'-P energy: -59.493
tors. eta vs tors. theta energy: -111.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1286.372437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.372437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.372437 (E_RNA)
where:
Base-Base interactions energy: -786.216
where: short stacking energy: -351.816
Base-Backbone interact. energy: -1.523
local terms energy: -498.633137
where:
bonds (distance) C4'-P energy: -100.831
bonds (distance) P-C4' energy: -106.345
flat angles C4'-P-C4' energy: -120.048
flat angles P-C4'-P energy: -84.210
tors. eta vs tors. theta energy: -87.199
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: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1091.093176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.093176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.093176 (E_RNA)
where:
Base-Base interactions energy: -662.988
where: short stacking energy: -312.276
Base-Backbone interact. energy: -0.533
local terms energy: -427.571912
where:
bonds (distance) C4'-P energy: -107.180
bonds (distance) P-C4' energy: -101.246
flat angles C4'-P-C4' energy: -102.680
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -50.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -694.519969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.519969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.519969 (E_RNA)
where:
Base-Base interactions energy: -329.570
where: short stacking energy: -190.530
Base-Backbone interact. energy: 3.037
local terms energy: -367.987032
where:
bonds (distance) C4'-P energy: -104.490
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -100.627
flat angles P-C4'-P energy: -54.691
tors. eta vs tors. theta energy: -7.049
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: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -446.589134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.589134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.589134 (E_RNA)
where:
Base-Base interactions energy: -143.463
where: short stacking energy: -119.440
Base-Backbone interact. energy: 0.586
local terms energy: -303.711890
where:
bonds (distance) C4'-P energy: -92.954
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -95.109
flat angles P-C4'-P energy: -54.883
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: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2311.279085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.279085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.279085 (E_RNA)
where:
Base-Base interactions energy: -1638.452
where: short stacking energy: -620.025
Base-Backbone interact. energy: -4.179
local terms energy: -668.647394
where:
bonds (distance) C4'-P energy: -124.544
bonds (distance) P-C4' energy: -122.426
flat angles C4'-P-C4' energy: -140.537
flat angles P-C4'-P energy: -95.010
tors. eta vs tors. theta energy: -186.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2056.125332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.125332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.125332 (E_RNA)
where:
Base-Base interactions energy: -1403.795
where: short stacking energy: -590.290
Base-Backbone interact. energy: -3.251
local terms energy: -649.078963
where:
bonds (distance) C4'-P energy: -120.348
bonds (distance) P-C4' energy: -109.959
flat angles C4'-P-C4' energy: -140.682
flat angles P-C4'-P energy: -99.747
tors. eta vs tors. theta energy: -178.343
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: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2017.114735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.114735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.114735 (E_RNA)
where:
Base-Base interactions energy: -1393.390
where: short stacking energy: -560.683
Base-Backbone interact. energy: 3.651
local terms energy: -627.375620
where:
bonds (distance) C4'-P energy: -109.150
bonds (distance) P-C4' energy: -119.810
flat angles C4'-P-C4' energy: -141.735
flat angles P-C4'-P energy: -85.864
tors. eta vs tors. theta energy: -170.817
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: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1844.532597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.532597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.532597 (E_RNA)
where:
Base-Base interactions energy: -1248.929
where: short stacking energy: -535.890
Base-Backbone interact. energy: -1.742
local terms energy: -593.861708
where:
bonds (distance) C4'-P energy: -118.571
bonds (distance) P-C4' energy: -109.914
flat angles C4'-P-C4' energy: -127.991
flat angles P-C4'-P energy: -79.431
tors. eta vs tors. theta energy: -157.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1776.931137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.931137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.931137 (E_RNA)
where:
Base-Base interactions energy: -1172.673
where: short stacking energy: -492.731
Base-Backbone interact. energy: -0.307
local terms energy: -603.951252
where:
bonds (distance) C4'-P energy: -119.366
bonds (distance) P-C4' energy: -107.611
flat angles C4'-P-C4' energy: -128.767
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -159.113
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: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1659.706063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.706063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.706063 (E_RNA)
where:
Base-Base interactions energy: -1106.457
where: short stacking energy: -460.759
Base-Backbone interact. energy: -0.708
local terms energy: -552.540743
where:
bonds (distance) C4'-P energy: -91.398
bonds (distance) P-C4' energy: -109.004
flat angles C4'-P-C4' energy: -125.492
flat angles P-C4'-P energy: -91.289
tors. eta vs tors. theta energy: -135.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1240.526592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.526592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.526592 (E_RNA)
where:
Base-Base interactions energy: -760.564
where: short stacking energy: -326.812
Base-Backbone interact. energy: -0.493
local terms energy: -479.468885
where:
bonds (distance) C4'-P energy: -93.476
bonds (distance) P-C4' energy: -116.482
flat angles C4'-P-C4' energy: -115.332
flat angles P-C4'-P energy: -77.528
tors. eta vs tors. theta energy: -76.650
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: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1087.112217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.112217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.112217 (E_RNA)
where:
Base-Base interactions energy: -661.042
where: short stacking energy: -297.154
Base-Backbone interact. energy: 0.561
local terms energy: -426.632013
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -116.440
flat angles C4'-P-C4' energy: -104.678
flat angles P-C4'-P energy: -65.915
tors. eta vs tors. theta energy: -50.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -573.872434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.872434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.872434 (E_RNA)
where:
Base-Base interactions energy: -239.351
where: short stacking energy: -158.501
Base-Backbone interact. energy: -1.026
local terms energy: -333.495046
where:
bonds (distance) C4'-P energy: -103.505
bonds (distance) P-C4' energy: -120.425
flat angles C4'-P-C4' energy: -77.950
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: 11.121
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: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -462.712017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.712017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.712017 (E_RNA)
where:
Base-Base interactions energy: -145.265
where: short stacking energy: -129.711
Base-Backbone interact. energy: -3.174
local terms energy: -314.272785
where:
bonds (distance) C4'-P energy: -86.990
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -86.832
flat angles P-C4'-P energy: -47.150
tors. eta vs tors. theta energy: 22.512
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: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2316.996160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.996160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.996160 (E_RNA)
where:
Base-Base interactions energy: -1662.989
where: short stacking energy: -632.805
Base-Backbone interact. energy: 1.334
local terms energy: -655.341974
where:
bonds (distance) C4'-P energy: -123.971
bonds (distance) P-C4' energy: -112.934
flat angles C4'-P-C4' energy: -143.623
flat angles P-C4'-P energy: -93.235
tors. eta vs tors. theta energy: -181.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2093.399598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.399598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.399598 (E_RNA)
where:
Base-Base interactions energy: -1444.279
where: short stacking energy: -586.510
Base-Backbone interact. energy: -1.761
local terms energy: -647.359564
where:
bonds (distance) C4'-P energy: -125.253
bonds (distance) P-C4' energy: -121.716
flat angles C4'-P-C4' energy: -132.714
flat angles P-C4'-P energy: -88.241
tors. eta vs tors. theta energy: -179.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2015.601997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.601997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.601997 (E_RNA)
where:
Base-Base interactions energy: -1397.631
where: short stacking energy: -575.784
Base-Backbone interact. energy: -3.237
local terms energy: -614.734560
where:
bonds (distance) C4'-P energy: -113.755
bonds (distance) P-C4' energy: -116.738
flat angles C4'-P-C4' energy: -125.781
flat angles P-C4'-P energy: -91.287
tors. eta vs tors. theta energy: -167.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1838.381080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.381080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.381080 (E_RNA)
where:
Base-Base interactions energy: -1242.302
where: short stacking energy: -516.582
Base-Backbone interact. energy: 2.171
local terms energy: -598.250049
where:
bonds (distance) C4'-P energy: -106.979
bonds (distance) P-C4' energy: -117.113
flat angles C4'-P-C4' energy: -116.525
flat angles P-C4'-P energy: -104.705
tors. eta vs tors. theta energy: -152.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1743.973852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.973852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.973852 (E_RNA)
where:
Base-Base interactions energy: -1210.598
where: short stacking energy: -508.811
Base-Backbone interact. energy: -2.249
local terms energy: -531.126612
where:
bonds (distance) C4'-P energy: -103.535
bonds (distance) P-C4' energy: -91.264
flat angles C4'-P-C4' energy: -117.940
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -143.452
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: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1623.339358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.339358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.339358 (E_RNA)
where:
Base-Base interactions energy: -1088.133
where: short stacking energy: -469.167
Base-Backbone interact. energy: 0.549
local terms energy: -535.756042
where:
bonds (distance) C4'-P energy: -91.199
bonds (distance) P-C4' energy: -122.176
flat angles C4'-P-C4' energy: -123.864
flat angles P-C4'-P energy: -82.518
tors. eta vs tors. theta energy: -115.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1253.832681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.832681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.832681 (E_RNA)
where:
Base-Base interactions energy: -798.968
where: short stacking energy: -345.220
Base-Backbone interact. energy: -1.262
local terms energy: -453.603298
where:
bonds (distance) C4'-P energy: -97.704
bonds (distance) P-C4' energy: -113.435
flat angles C4'-P-C4' energy: -102.551
flat angles P-C4'-P energy: -64.072
tors. eta vs tors. theta energy: -75.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1137.803796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.803796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.803796 (E_RNA)
where:
Base-Base interactions energy: -729.927
where: short stacking energy: -302.273
Base-Backbone interact. energy: -0.195
local terms energy: -407.681561
where:
bonds (distance) C4'-P energy: -99.554
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -103.558
flat angles P-C4'-P energy: -57.940
tors. eta vs tors. theta energy: -44.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -599.854363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.854363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.854363 (E_RNA)
where:
Base-Base interactions energy: -233.174
where: short stacking energy: -161.123
Base-Backbone interact. energy: 1.296
local terms energy: -367.976522
where:
bonds (distance) C4'-P energy: -101.900
bonds (distance) P-C4' energy: -110.466
flat angles C4'-P-C4' energy: -99.435
flat angles P-C4'-P energy: -53.039
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -465.255862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.255862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.255862 (E_RNA)
where:
Base-Base interactions energy: -138.381
where: short stacking energy: -122.288
Base-Backbone interact. energy: 6.870
local terms energy: -333.744958
where:
bonds (distance) C4'-P energy: -93.209
bonds (distance) P-C4' energy: -105.529
flat angles C4'-P-C4' energy: -86.385
flat angles P-C4'-P energy: -64.606
tors. eta vs tors. theta energy: 15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2299.420890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.420890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.420890 (E_RNA)
where:
Base-Base interactions energy: -1633.535
where: short stacking energy: -616.421
Base-Backbone interact. energy: -3.824
local terms energy: -662.062035
where:
bonds (distance) C4'-P energy: -127.920
bonds (distance) P-C4' energy: -112.182
flat angles C4'-P-C4' energy: -138.074
flat angles P-C4'-P energy: -102.578
tors. eta vs tors. theta energy: -181.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2093.299279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.299279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.299279 (E_RNA)
where:
Base-Base interactions energy: -1426.817
where: short stacking energy: -602.168
Base-Backbone interact. energy: 2.214
local terms energy: -668.696896
where:
bonds (distance) C4'-P energy: -124.696
bonds (distance) P-C4' energy: -122.193
flat angles C4'-P-C4' energy: -143.592
flat angles P-C4'-P energy: -98.257
tors. eta vs tors. theta energy: -179.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2004.312933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.312933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.312933 (E_RNA)
where:
Base-Base interactions energy: -1372.463
where: short stacking energy: -551.435
Base-Backbone interact. energy: 1.994
local terms energy: -633.843496
where:
bonds (distance) C4'-P energy: -118.310
bonds (distance) P-C4' energy: -116.436
flat angles C4'-P-C4' energy: -146.295
flat angles P-C4'-P energy: -89.053
tors. eta vs tors. theta energy: -163.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1848.446053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.446053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.446053 (E_RNA)
where:
Base-Base interactions energy: -1240.462
where: short stacking energy: -522.461
Base-Backbone interact. energy: -4.294
local terms energy: -603.689940
where:
bonds (distance) C4'-P energy: -113.362
bonds (distance) P-C4' energy: -112.043
flat angles C4'-P-C4' energy: -128.694
flat angles P-C4'-P energy: -102.166
tors. eta vs tors. theta energy: -147.425
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: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1709.245422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.245422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.245422 (E_RNA)
where:
Base-Base interactions energy: -1151.318
where: short stacking energy: -475.039
Base-Backbone interact. energy: 1.275
local terms energy: -559.202896
where:
bonds (distance) C4'-P energy: -111.687
bonds (distance) P-C4' energy: -106.908
flat angles C4'-P-C4' energy: -125.266
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -134.250
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: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1584.897656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.897656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.897656 (E_RNA)
where:
Base-Base interactions energy: -1057.290
where: short stacking energy: -465.421
Base-Backbone interact. energy: -1.237
local terms energy: -526.371043
where:
bonds (distance) C4'-P energy: -91.477
bonds (distance) P-C4' energy: -114.445
flat angles C4'-P-C4' energy: -110.559
flat angles P-C4'-P energy: -82.223
tors. eta vs tors. theta energy: -127.667
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: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1230.555675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.555675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.555675 (E_RNA)
where:
Base-Base interactions energy: -742.887
where: short stacking energy: -336.498
Base-Backbone interact. energy: -2.231
local terms energy: -485.437483
where:
bonds (distance) C4'-P energy: -109.761
bonds (distance) P-C4' energy: -108.632
flat angles C4'-P-C4' energy: -108.246
flat angles P-C4'-P energy: -82.443
tors. eta vs tors. theta energy: -76.355
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: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1133.104573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.104573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.104573 (E_RNA)
where:
Base-Base interactions energy: -703.527
where: short stacking energy: -311.857
Base-Backbone interact. energy: -0.183
local terms energy: -429.394099
where:
bonds (distance) C4'-P energy: -94.553
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -104.408
flat angles P-C4'-P energy: -51.786
tors. eta vs tors. theta energy: -69.857
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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -642.114880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.114880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.114880 (E_RNA)
where:
Base-Base interactions energy: -286.515
where: short stacking energy: -171.984
Base-Backbone interact. energy: -2.718
local terms energy: -352.882320
where:
bonds (distance) C4'-P energy: -92.522
bonds (distance) P-C4' energy: -90.313
flat angles C4'-P-C4' energy: -98.801
flat angles P-C4'-P energy: -68.440
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -445.690171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.690171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.690171 (E_RNA)
where:
Base-Base interactions energy: -152.990
where: short stacking energy: -113.382
Base-Backbone interact. energy: 4.655
local terms energy: -297.355539
where:
bonds (distance) C4'-P energy: -92.870
bonds (distance) P-C4' energy: -113.253
flat angles C4'-P-C4' energy: -75.741
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: 38.361
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: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2285.977992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.977992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.977992 (E_RNA)
where:
Base-Base interactions energy: -1615.428
where: short stacking energy: -600.758
Base-Backbone interact. energy: -2.582
local terms energy: -667.968226
where:
bonds (distance) C4'-P energy: -126.277
bonds (distance) P-C4' energy: -127.412
flat angles C4'-P-C4' energy: -138.804
flat angles P-C4'-P energy: -95.916
tors. eta vs tors. theta energy: -179.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2069.013179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.013179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.013179 (E_RNA)
where:
Base-Base interactions energy: -1413.407
where: short stacking energy: -601.409
Base-Backbone interact. energy: -4.338
local terms energy: -651.268262
where:
bonds (distance) C4'-P energy: -116.417
bonds (distance) P-C4' energy: -122.511
flat angles C4'-P-C4' energy: -144.561
flat angles P-C4'-P energy: -90.390
tors. eta vs tors. theta energy: -177.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2036.055708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.055708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.055708 (E_RNA)
where:
Base-Base interactions energy: -1372.340
where: short stacking energy: -583.218
Base-Backbone interact. energy: -0.008
local terms energy: -663.707654
where:
bonds (distance) C4'-P energy: -120.285
bonds (distance) P-C4' energy: -127.625
flat angles C4'-P-C4' energy: -150.014
flat angles P-C4'-P energy: -89.266
tors. eta vs tors. theta energy: -176.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1876.541837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.541837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.541837 (E_RNA)
where:
Base-Base interactions energy: -1292.080
where: short stacking energy: -532.910
Base-Backbone interact. energy: -2.797
local terms energy: -581.665582
where:
bonds (distance) C4'-P energy: -119.643
bonds (distance) P-C4' energy: -104.551
flat angles C4'-P-C4' energy: -122.603
flat angles P-C4'-P energy: -86.459
tors. eta vs tors. theta energy: -148.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1680.840148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.840148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.840148 (E_RNA)
where:
Base-Base interactions energy: -1139.609
where: short stacking energy: -469.052
Base-Backbone interact. energy: 0.047
local terms energy: -541.278210
where:
bonds (distance) C4'-P energy: -115.197
bonds (distance) P-C4' energy: -107.813
flat angles C4'-P-C4' energy: -123.403
flat angles P-C4'-P energy: -65.011
tors. eta vs tors. theta energy: -129.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1634.178329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.178329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.178329 (E_RNA)
where:
Base-Base interactions energy: -1104.817
where: short stacking energy: -455.994
Base-Backbone interact. energy: -1.847
local terms energy: -527.514224
where:
bonds (distance) C4'-P energy: -112.020
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -116.837
flat angles P-C4'-P energy: -61.386
tors. eta vs tors. theta energy: -116.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1257.429333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.429333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.429333 (E_RNA)
where:
Base-Base interactions energy: -805.933
where: short stacking energy: -354.404
Base-Backbone interact. energy: 0.522
local terms energy: -452.018327
where:
bonds (distance) C4'-P energy: -96.425
bonds (distance) P-C4' energy: -98.953
flat angles C4'-P-C4' energy: -100.917
flat angles P-C4'-P energy: -76.727
tors. eta vs tors. theta energy: -78.997
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1122.378626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.378626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.378626 (E_RNA)
where:
Base-Base interactions energy: -706.709
where: short stacking energy: -300.907
Base-Backbone interact. energy: -3.598
local terms energy: -412.071824
where:
bonds (distance) C4'-P energy: -89.453
bonds (distance) P-C4' energy: -98.697
flat angles C4'-P-C4' energy: -98.135
flat angles P-C4'-P energy: -63.492
tors. eta vs tors. theta energy: -62.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -596.657394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.657394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.657394 (E_RNA)
where:
Base-Base interactions energy: -243.048
where: short stacking energy: -151.785
Base-Backbone interact. energy: -1.771
local terms energy: -351.838399
where:
bonds (distance) C4'-P energy: -105.912
bonds (distance) P-C4' energy: -107.304
flat angles C4'-P-C4' energy: -83.617
flat angles P-C4'-P energy: -74.034
tors. eta vs tors. theta energy: 19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -474.417063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.417063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.417063 (E_RNA)
where:
Base-Base interactions energy: -172.983
where: short stacking energy: -101.918
Base-Backbone interact. energy: 4.045
local terms energy: -305.479036
where:
bonds (distance) C4'-P energy: -103.824
bonds (distance) P-C4' energy: -81.444
flat angles C4'-P-C4' energy: -82.786
flat angles P-C4'-P energy: -59.983
tors. eta vs tors. theta energy: 22.557
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: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2266.096069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.096069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.096069 (E_RNA)
where:
Base-Base interactions energy: -1611.221
where: short stacking energy: -617.044
Base-Backbone interact. energy: -1.596
local terms energy: -653.278921
where:
bonds (distance) C4'-P energy: -132.744
bonds (distance) P-C4' energy: -119.865
flat angles C4'-P-C4' energy: -141.887
flat angles P-C4'-P energy: -88.216
tors. eta vs tors. theta energy: -170.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2106.703653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.703653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.703653 (E_RNA)
where:
Base-Base interactions energy: -1464.922
where: short stacking energy: -606.219
Base-Backbone interact. energy: -4.081
local terms energy: -637.700634
where:
bonds (distance) C4'-P energy: -120.581
bonds (distance) P-C4' energy: -120.597
flat angles C4'-P-C4' energy: -132.544
flat angles P-C4'-P energy: -78.593
tors. eta vs tors. theta energy: -185.386
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: 166
Temperature: 1.000000
Total energy: -2045.493028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.493028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.493028 (E_RNA)
where:
Base-Base interactions energy: -1416.930
where: short stacking energy: -582.783
Base-Backbone interact. energy: -0.051
local terms energy: -628.511724
where:
bonds (distance) C4'-P energy: -112.437
bonds (distance) P-C4' energy: -107.998
flat angles C4'-P-C4' energy: -134.346
flat angles P-C4'-P energy: -93.878
tors. eta vs tors. theta energy: -179.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1881.592895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.592895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.592895 (E_RNA)
where:
Base-Base interactions energy: -1280.783
where: short stacking energy: -531.858
Base-Backbone interact. energy: -1.591
local terms energy: -599.219387
where:
bonds (distance) C4'-P energy: -106.604
bonds (distance) P-C4' energy: -115.692
flat angles C4'-P-C4' energy: -123.147
flat angles P-C4'-P energy: -94.639
tors. eta vs tors. theta energy: -159.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1697.634767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.634767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.634767 (E_RNA)
where:
Base-Base interactions energy: -1132.794
where: short stacking energy: -457.431
Base-Backbone interact. energy: -0.316
local terms energy: -564.524871
where:
bonds (distance) C4'-P energy: -111.368
bonds (distance) P-C4' energy: -109.058
flat angles C4'-P-C4' energy: -109.816
flat angles P-C4'-P energy: -93.851
tors. eta vs tors. theta energy: -140.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1577.290553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.290553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.290553 (E_RNA)
where:
Base-Base interactions energy: -1044.060
where: short stacking energy: -445.430
Base-Backbone interact. energy: -1.162
local terms energy: -532.067838
where:
bonds (distance) C4'-P energy: -103.581
bonds (distance) P-C4' energy: -122.601
flat angles C4'-P-C4' energy: -119.180
flat angles P-C4'-P energy: -70.108
tors. eta vs tors. theta energy: -116.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1276.991539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.991539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.991539 (E_RNA)
where:
Base-Base interactions energy: -828.651
where: short stacking energy: -329.066
Base-Backbone interact. energy: -3.468
local terms energy: -444.873046
where:
bonds (distance) C4'-P energy: -99.372
bonds (distance) P-C4' energy: -106.471
flat angles C4'-P-C4' energy: -119.963
flat angles P-C4'-P energy: -60.345
tors. eta vs tors. theta energy: -58.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1175.061410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.061410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.061410 (E_RNA)
where:
Base-Base interactions energy: -714.773
where: short stacking energy: -322.528
Base-Backbone interact. energy: -0.708
local terms energy: -459.580081
where:
bonds (distance) C4'-P energy: -116.681
bonds (distance) P-C4' energy: -104.507
flat angles C4'-P-C4' energy: -109.288
flat angles P-C4'-P energy: -63.367
tors. eta vs tors. theta energy: -65.736
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: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -570.767566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.767566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.767566 (E_RNA)
where:
Base-Base interactions energy: -232.085
where: short stacking energy: -136.105
Base-Backbone interact. energy: -1.952
local terms energy: -336.730008
where:
bonds (distance) C4'-P energy: -105.429
bonds (distance) P-C4' energy: -114.014
flat angles C4'-P-C4' energy: -91.687
flat angles P-C4'-P energy: -46.149
tors. eta vs tors. theta energy: 20.549
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: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -474.894484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.894484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.894484 (E_RNA)
where:
Base-Base interactions energy: -150.205
where: short stacking energy: -109.390
Base-Backbone interact. energy: 4.182
local terms energy: -328.870887
where:
bonds (distance) C4'-P energy: -107.042
bonds (distance) P-C4' energy: -121.250
flat angles C4'-P-C4' energy: -87.097
flat angles P-C4'-P energy: -53.839
tors. eta vs tors. theta energy: 40.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2285.405412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.405412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.405412 (E_RNA)
where:
Base-Base interactions energy: -1607.475
where: short stacking energy: -623.720
Base-Backbone interact. energy: 1.627
local terms energy: -679.557445
where:
bonds (distance) C4'-P energy: -127.206
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -146.202
flat angles P-C4'-P energy: -106.149
tors. eta vs tors. theta energy: -181.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2108.835377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.835377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.835377 (E_RNA)
where:
Base-Base interactions energy: -1451.129
where: short stacking energy: -587.238
Base-Backbone interact. energy: -0.945
local terms energy: -656.761378
where:
bonds (distance) C4'-P energy: -128.322
bonds (distance) P-C4' energy: -118.050
flat angles C4'-P-C4' energy: -143.238
flat angles P-C4'-P energy: -92.889
tors. eta vs tors. theta energy: -174.262
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: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2033.635424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.635424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.635424 (E_RNA)
where:
Base-Base interactions energy: -1400.045
where: short stacking energy: -565.226
Base-Backbone interact. energy: 4.683
local terms energy: -638.273326
where:
bonds (distance) C4'-P energy: -125.746
bonds (distance) P-C4' energy: -106.766
flat angles C4'-P-C4' energy: -121.968
flat angles P-C4'-P energy: -94.975
tors. eta vs tors. theta energy: -188.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1875.909076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.909076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.909076 (E_RNA)
where:
Base-Base interactions energy: -1275.208
where: short stacking energy: -541.258
Base-Backbone interact. energy: -5.154
local terms energy: -595.547237
where:
bonds (distance) C4'-P energy: -108.649
bonds (distance) P-C4' energy: -122.688
flat angles C4'-P-C4' energy: -135.996
flat angles P-C4'-P energy: -70.471
tors. eta vs tors. theta energy: -157.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1752.320680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.320680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.320680 (E_RNA)
where:
Base-Base interactions energy: -1187.505
where: short stacking energy: -464.703
Base-Backbone interact. energy: -3.410
local terms energy: -561.405383
where:
bonds (distance) C4'-P energy: -102.671
bonds (distance) P-C4' energy: -113.509
flat angles C4'-P-C4' energy: -140.253
flat angles P-C4'-P energy: -77.074
tors. eta vs tors. theta energy: -127.898
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: 167
Temperature: 1.150000
Total energy: -1544.096610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.096610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.096610 (E_RNA)
where:
Base-Base interactions energy: -1011.792
where: short stacking energy: -430.431
Base-Backbone interact. energy: -1.984
local terms energy: -530.320869
where:
bonds (distance) C4'-P energy: -107.424
bonds (distance) P-C4' energy: -113.620
flat angles C4'-P-C4' energy: -106.688
flat angles P-C4'-P energy: -78.806
tors. eta vs tors. theta energy: -123.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1305.875596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.875596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.875596 (E_RNA)
where:
Base-Base interactions energy: -856.281
where: short stacking energy: -369.866
Base-Backbone interact. energy: -1.121
local terms energy: -448.473430
where:
bonds (distance) C4'-P energy: -89.493
bonds (distance) P-C4' energy: -96.849
flat angles C4'-P-C4' energy: -97.789
flat angles P-C4'-P energy: -74.115
tors. eta vs tors. theta energy: -90.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1219.352401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.352401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.352401 (E_RNA)
where:
Base-Base interactions energy: -758.708
where: short stacking energy: -329.418
Base-Backbone interact. energy: 1.848
local terms energy: -462.492969
where:
bonds (distance) C4'-P energy: -122.750
bonds (distance) P-C4' energy: -105.989
flat angles C4'-P-C4' energy: -121.429
flat angles P-C4'-P energy: -52.128
tors. eta vs tors. theta energy: -60.197
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -576.774745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.774745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.774745 (E_RNA)
where:
Base-Base interactions energy: -240.068
where: short stacking energy: -147.644
Base-Backbone interact. energy: 0.152
local terms energy: -336.858980
where:
bonds (distance) C4'-P energy: -117.794
bonds (distance) P-C4' energy: -106.692
flat angles C4'-P-C4' energy: -82.683
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: 24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -436.663749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.663749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.663749 (E_RNA)
where:
Base-Base interactions energy: -129.331
where: short stacking energy: -107.822
Base-Backbone interact. energy: 5.423
local terms energy: -312.755881
where:
bonds (distance) C4'-P energy: -93.915
bonds (distance) P-C4' energy: -107.483
flat angles C4'-P-C4' energy: -82.283
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: 22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2299.476784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.476784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.476784 (E_RNA)
where:
Base-Base interactions energy: -1639.597
where: short stacking energy: -635.253
Base-Backbone interact. energy: -3.580
local terms energy: -656.299578
where:
bonds (distance) C4'-P energy: -113.357
bonds (distance) P-C4' energy: -122.203
flat angles C4'-P-C4' energy: -146.005
flat angles P-C4'-P energy: -99.642
tors. eta vs tors. theta energy: -175.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2128.696928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.696928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.696928 (E_RNA)
where:
Base-Base interactions energy: -1459.318
where: short stacking energy: -588.869
Base-Backbone interact. energy: 0.367
local terms energy: -669.746039
where:
bonds (distance) C4'-P energy: -123.425
bonds (distance) P-C4' energy: -122.220
flat angles C4'-P-C4' energy: -138.276
flat angles P-C4'-P energy: -91.687
tors. eta vs tors. theta energy: -194.138
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: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2039.126959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.126959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.126959 (E_RNA)
where:
Base-Base interactions energy: -1380.122
where: short stacking energy: -587.435
Base-Backbone interact. energy: -0.226
local terms energy: -658.778682
where:
bonds (distance) C4'-P energy: -116.283
bonds (distance) P-C4' energy: -123.245
flat angles C4'-P-C4' energy: -135.556
flat angles P-C4'-P energy: -104.582
tors. eta vs tors. theta energy: -179.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1853.748105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.748105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.748105 (E_RNA)
where:
Base-Base interactions energy: -1251.720
where: short stacking energy: -525.792
Base-Backbone interact. energy: 4.003
local terms energy: -606.031387
where:
bonds (distance) C4'-P energy: -114.481
bonds (distance) P-C4' energy: -108.310
flat angles C4'-P-C4' energy: -139.505
flat angles P-C4'-P energy: -90.850
tors. eta vs tors. theta energy: -152.884
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: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1780.041898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.041898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.041898 (E_RNA)
where:
Base-Base interactions energy: -1203.206
where: short stacking energy: -483.246
Base-Backbone interact. energy: 2.110
local terms energy: -578.946481
where:
bonds (distance) C4'-P energy: -120.886
bonds (distance) P-C4' energy: -117.741
flat angles C4'-P-C4' energy: -128.711
flat angles P-C4'-P energy: -73.491
tors. eta vs tors. theta energy: -138.117
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: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1579.847005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.847005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.847005 (E_RNA)
where:
Base-Base interactions energy: -1034.784
where: short stacking energy: -427.105
Base-Backbone interact. energy: -3.440
local terms energy: -541.622772
where:
bonds (distance) C4'-P energy: -104.104
bonds (distance) P-C4' energy: -127.621
flat angles C4'-P-C4' energy: -115.023
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -120.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1364.242561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.242561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.242561 (E_RNA)
where:
Base-Base interactions energy: -874.184
where: short stacking energy: -385.695
Base-Backbone interact. energy: -1.836
local terms energy: -488.222690
where:
bonds (distance) C4'-P energy: -83.302
bonds (distance) P-C4' energy: -110.481
flat angles C4'-P-C4' energy: -126.348
flat angles P-C4'-P energy: -52.699
tors. eta vs tors. theta energy: -115.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1200.193610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.193610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.193610 (E_RNA)
where:
Base-Base interactions energy: -737.682
where: short stacking energy: -332.237
Base-Backbone interact. energy: -0.485
local terms energy: -462.026000
where:
bonds (distance) C4'-P energy: -110.634
bonds (distance) P-C4' energy: -103.219
flat angles C4'-P-C4' energy: -111.118
flat angles P-C4'-P energy: -56.457
tors. eta vs tors. theta energy: -80.597
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: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -582.034520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.034520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.034520 (E_RNA)
where:
Base-Base interactions energy: -212.346
where: short stacking energy: -147.827
Base-Backbone interact. energy: -0.118
local terms energy: -369.570561
where:
bonds (distance) C4'-P energy: -110.737
bonds (distance) P-C4' energy: -107.595
flat angles C4'-P-C4' energy: -83.663
flat angles P-C4'-P energy: -71.286
tors. eta vs tors. theta energy: 3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -463.474998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.474998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.474998 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -111.792
Base-Backbone interact. energy: 0.277
local terms energy: -320.939128
where:
bonds (distance) C4'-P energy: -85.329
bonds (distance) P-C4' energy: -115.088
flat angles C4'-P-C4' energy: -95.179
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: 11.209
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: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2283.347638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.347638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.347638 (E_RNA)
where:
Base-Base interactions energy: -1619.168
where: short stacking energy: -627.321
Base-Backbone interact. energy: -1.967
local terms energy: -662.212190
where:
bonds (distance) C4'-P energy: -109.759
bonds (distance) P-C4' energy: -139.104
flat angles C4'-P-C4' energy: -149.900
flat angles P-C4'-P energy: -81.470
tors. eta vs tors. theta energy: -181.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2094.298807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.298807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.298807 (E_RNA)
where:
Base-Base interactions energy: -1446.047
where: short stacking energy: -605.206
Base-Backbone interact. energy: -2.083
local terms energy: -646.168144
where:
bonds (distance) C4'-P energy: -104.703
bonds (distance) P-C4' energy: -118.572
flat angles C4'-P-C4' energy: -147.322
flat angles P-C4'-P energy: -84.067
tors. eta vs tors. theta energy: -191.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2022.730343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.730343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.730343 (E_RNA)
where:
Base-Base interactions energy: -1403.392
where: short stacking energy: -581.073
Base-Backbone interact. energy: -2.601
local terms energy: -616.737409
where:
bonds (distance) C4'-P energy: -98.208
bonds (distance) P-C4' energy: -123.546
flat angles C4'-P-C4' energy: -132.582
flat angles P-C4'-P energy: -82.372
tors. eta vs tors. theta energy: -180.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1808.641184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.641184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.641184 (E_RNA)
where:
Base-Base interactions energy: -1206.489
where: short stacking energy: -504.733
Base-Backbone interact. energy: 0.234
local terms energy: -602.386228
where:
bonds (distance) C4'-P energy: -113.362
bonds (distance) P-C4' energy: -108.485
flat angles C4'-P-C4' energy: -140.548
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -149.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1813.835667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.835667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.835667 (E_RNA)
where:
Base-Base interactions energy: -1242.952
where: short stacking energy: -515.784
Base-Backbone interact. energy: -2.287
local terms energy: -568.596769
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -101.049
flat angles C4'-P-C4' energy: -124.615
flat angles P-C4'-P energy: -81.472
tors. eta vs tors. theta energy: -166.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1557.508548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.508548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.508548 (E_RNA)
where:
Base-Base interactions energy: -1015.970
where: short stacking energy: -439.370
Base-Backbone interact. energy: -2.038
local terms energy: -539.500543
where:
bonds (distance) C4'-P energy: -113.461
bonds (distance) P-C4' energy: -107.276
flat angles C4'-P-C4' energy: -130.154
flat angles P-C4'-P energy: -66.890
tors. eta vs tors. theta energy: -121.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1368.259292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.259292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.259292 (E_RNA)
where:
Base-Base interactions energy: -865.267
where: short stacking energy: -385.917
Base-Backbone interact. energy: -0.597
local terms energy: -502.394966
where:
bonds (distance) C4'-P energy: -96.117
bonds (distance) P-C4' energy: -109.242
flat angles C4'-P-C4' energy: -113.083
flat angles P-C4'-P energy: -65.479
tors. eta vs tors. theta energy: -118.473
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: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1186.501393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.501393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.501393 (E_RNA)
where:
Base-Base interactions energy: -759.861
where: short stacking energy: -306.774
Base-Backbone interact. energy: 0.103
local terms energy: -426.743529
where:
bonds (distance) C4'-P energy: -98.753
bonds (distance) P-C4' energy: -83.856
flat angles C4'-P-C4' energy: -107.927
flat angles P-C4'-P energy: -68.628
tors. eta vs tors. theta energy: -67.579
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: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -568.280090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.280090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.280090 (E_RNA)
where:
Base-Base interactions energy: -223.153
where: short stacking energy: -137.133
Base-Backbone interact. energy: -2.923
local terms energy: -342.203893
where:
bonds (distance) C4'-P energy: -88.165
bonds (distance) P-C4' energy: -121.055
flat angles C4'-P-C4' energy: -93.362
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: 11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -456.605250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.605250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.605250 (E_RNA)
where:
Base-Base interactions energy: -128.802
where: short stacking energy: -101.051
Base-Backbone interact. energy: 6.479
local terms energy: -334.282488
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -108.200
flat angles C4'-P-C4' energy: -109.413
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: 25.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2335.197184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.197184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.197184 (E_RNA)
where:
Base-Base interactions energy: -1665.018
where: short stacking energy: -653.568
Base-Backbone interact. energy: -0.585
local terms energy: -669.593326
where:
bonds (distance) C4'-P energy: -114.225
bonds (distance) P-C4' energy: -128.791
flat angles C4'-P-C4' energy: -150.217
flat angles P-C4'-P energy: -91.129
tors. eta vs tors. theta energy: -185.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2135.529709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.529709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.529709 (E_RNA)
where:
Base-Base interactions energy: -1459.547
where: short stacking energy: -608.368
Base-Backbone interact. energy: 0.230
local terms energy: -676.212038
where:
bonds (distance) C4'-P energy: -127.727
bonds (distance) P-C4' energy: -119.501
flat angles C4'-P-C4' energy: -149.068
flat angles P-C4'-P energy: -94.910
tors. eta vs tors. theta energy: -185.006
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: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2016.233997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.233997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.233997 (E_RNA)
where:
Base-Base interactions energy: -1380.735
where: short stacking energy: -548.932
Base-Backbone interact. energy: -4.669
local terms energy: -630.830475
where:
bonds (distance) C4'-P energy: -115.935
bonds (distance) P-C4' energy: -114.577
flat angles C4'-P-C4' energy: -143.300
flat angles P-C4'-P energy: -90.152
tors. eta vs tors. theta energy: -166.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1836.691257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.691257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.691257 (E_RNA)
where:
Base-Base interactions energy: -1244.399
where: short stacking energy: -522.064
Base-Backbone interact. energy: -2.177
local terms energy: -590.114578
where:
bonds (distance) C4'-P energy: -116.928
bonds (distance) P-C4' energy: -103.347
flat angles C4'-P-C4' energy: -128.891
flat angles P-C4'-P energy: -94.239
tors. eta vs tors. theta energy: -146.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1771.383532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.383532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.383532 (E_RNA)
where:
Base-Base interactions energy: -1206.129
where: short stacking energy: -498.884
Base-Backbone interact. energy: -1.693
local terms energy: -563.560993
where:
bonds (distance) C4'-P energy: -98.272
bonds (distance) P-C4' energy: -115.026
flat angles C4'-P-C4' energy: -119.706
flat angles P-C4'-P energy: -80.669
tors. eta vs tors. theta energy: -149.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1576.583710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.583710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.583710 (E_RNA)
where:
Base-Base interactions energy: -1044.340
where: short stacking energy: -442.650
Base-Backbone interact. energy: 2.437
local terms energy: -534.680771
where:
bonds (distance) C4'-P energy: -101.479
bonds (distance) P-C4' energy: -116.972
flat angles C4'-P-C4' energy: -117.388
flat angles P-C4'-P energy: -77.593
tors. eta vs tors. theta energy: -121.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1357.539798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.539798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.539798 (E_RNA)
where:
Base-Base interactions energy: -843.632
where: short stacking energy: -358.292
Base-Backbone interact. energy: -3.088
local terms energy: -510.819453
where:
bonds (distance) C4'-P energy: -116.859
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -95.822
flat angles P-C4'-P energy: -73.802
tors. eta vs tors. theta energy: -113.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1169.798578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.798578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.798578 (E_RNA)
where:
Base-Base interactions energy: -702.282
where: short stacking energy: -291.189
Base-Backbone interact. energy: -0.028
local terms energy: -467.488192
where:
bonds (distance) C4'-P energy: -119.779
bonds (distance) P-C4' energy: -116.842
flat angles C4'-P-C4' energy: -103.324
flat angles P-C4'-P energy: -69.238
tors. eta vs tors. theta energy: -58.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -516.296333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.296333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.296333 (E_RNA)
where:
Base-Base interactions energy: -140.080
where: short stacking energy: -131.375
Base-Backbone interact. energy: 2.888
local terms energy: -379.103720
where:
bonds (distance) C4'-P energy: -108.956
bonds (distance) P-C4' energy: -116.244
flat angles C4'-P-C4' energy: -108.125
flat angles P-C4'-P energy: -61.391
tors. eta vs tors. theta energy: 15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -572.561340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.561340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.561340 (E_RNA)
where:
Base-Base interactions energy: -269.624
where: short stacking energy: -151.257
Base-Backbone interact. energy: 6.481
local terms energy: -309.418487
where:
bonds (distance) C4'-P energy: -113.695
bonds (distance) P-C4' energy: -102.885
flat angles C4'-P-C4' energy: -81.658
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: 11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2293.699820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.699820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.699820 (E_RNA)
where:
Base-Base interactions energy: -1602.829
where: short stacking energy: -639.561
Base-Backbone interact. energy: 5.959
local terms energy: -696.830347
where:
bonds (distance) C4'-P energy: -133.305
bonds (distance) P-C4' energy: -138.061
flat angles C4'-P-C4' energy: -144.814
flat angles P-C4'-P energy: -97.912
tors. eta vs tors. theta energy: -182.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2147.495301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.495301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.495301 (E_RNA)
where:
Base-Base interactions energy: -1472.924
where: short stacking energy: -621.211
Base-Backbone interact. energy: 0.565
local terms energy: -675.136061
where:
bonds (distance) C4'-P energy: -135.295
bonds (distance) P-C4' energy: -123.330
flat angles C4'-P-C4' energy: -149.237
flat angles P-C4'-P energy: -90.522
tors. eta vs tors. theta energy: -176.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2029.888223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.888223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.888223 (E_RNA)
where:
Base-Base interactions energy: -1401.451
where: short stacking energy: -577.875
Base-Backbone interact. energy: -2.074
local terms energy: -626.363321
where:
bonds (distance) C4'-P energy: -122.484
bonds (distance) P-C4' energy: -118.515
flat angles C4'-P-C4' energy: -122.013
flat angles P-C4'-P energy: -88.332
tors. eta vs tors. theta energy: -175.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1819.030866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.030866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.030866 (E_RNA)
where:
Base-Base interactions energy: -1230.800
where: short stacking energy: -498.870
Base-Backbone interact. energy: 0.105
local terms energy: -588.335250
where:
bonds (distance) C4'-P energy: -119.798
bonds (distance) P-C4' energy: -114.364
flat angles C4'-P-C4' energy: -116.221
flat angles P-C4'-P energy: -91.055
tors. eta vs tors. theta energy: -146.897
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: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1805.093814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.093814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.093814 (E_RNA)
where:
Base-Base interactions energy: -1247.657
where: short stacking energy: -506.029
Base-Backbone interact. energy: 1.331
local terms energy: -558.767925
where:
bonds (distance) C4'-P energy: -107.477
bonds (distance) P-C4' energy: -125.035
flat angles C4'-P-C4' energy: -119.346
flat angles P-C4'-P energy: -56.038
tors. eta vs tors. theta energy: -150.872
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: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1569.799639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.799639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.799639 (E_RNA)
where:
Base-Base interactions energy: -1028.805
where: short stacking energy: -427.734
Base-Backbone interact. energy: -3.722
local terms energy: -537.272298
where:
bonds (distance) C4'-P energy: -108.778
bonds (distance) P-C4' energy: -108.559
flat angles C4'-P-C4' energy: -122.170
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -112.460
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: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1251.107244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.107244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.107244 (E_RNA)
where:
Base-Base interactions energy: -797.325
where: short stacking energy: -353.649
Base-Backbone interact. energy: 1.522
local terms energy: -455.305174
where:
bonds (distance) C4'-P energy: -102.889
bonds (distance) P-C4' energy: -107.861
flat angles C4'-P-C4' energy: -94.378
flat angles P-C4'-P energy: -60.225
tors. eta vs tors. theta energy: -89.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1161.599942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.599942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.599942 (E_RNA)
where:
Base-Base interactions energy: -703.481
where: short stacking energy: -311.682
Base-Backbone interact. energy: -0.276
local terms energy: -457.843175
where:
bonds (distance) C4'-P energy: -108.403
bonds (distance) P-C4' energy: -129.305
flat angles C4'-P-C4' energy: -94.882
flat angles P-C4'-P energy: -60.189
tors. eta vs tors. theta energy: -65.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -509.557603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.557603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.557603 (E_RNA)
where:
Base-Base interactions energy: -173.739
where: short stacking energy: -139.381
Base-Backbone interact. energy: -0.774
local terms energy: -335.044292
where:
bonds (distance) C4'-P energy: -92.068
bonds (distance) P-C4' energy: -114.920
flat angles C4'-P-C4' energy: -89.814
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: 5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -598.110465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.110465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.110465 (E_RNA)
where:
Base-Base interactions energy: -270.375
where: short stacking energy: -154.068
Base-Backbone interact. energy: -0.358
local terms energy: -327.378149
where:
bonds (distance) C4'-P energy: -105.604
bonds (distance) P-C4' energy: -106.972
flat angles C4'-P-C4' energy: -80.244
flat angles P-C4'-P energy: -44.941
tors. eta vs tors. theta energy: 10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2277.149127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.149127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.149127 (E_RNA)
where:
Base-Base interactions energy: -1593.879
where: short stacking energy: -620.418
Base-Backbone interact. energy: -2.424
local terms energy: -680.845946
where:
bonds (distance) C4'-P energy: -121.264
bonds (distance) P-C4' energy: -125.091
flat angles C4'-P-C4' energy: -141.623
flat angles P-C4'-P energy: -112.052
tors. eta vs tors. theta energy: -180.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2125.364906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.364906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.364906 (E_RNA)
where:
Base-Base interactions energy: -1478.391
where: short stacking energy: -622.248
Base-Backbone interact. energy: 0.955
local terms energy: -647.929610
where:
bonds (distance) C4'-P energy: -115.421
bonds (distance) P-C4' energy: -114.833
flat angles C4'-P-C4' energy: -139.169
flat angles P-C4'-P energy: -95.622
tors. eta vs tors. theta energy: -182.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2023.919033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.919033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.919033 (E_RNA)
where:
Base-Base interactions energy: -1396.070
where: short stacking energy: -588.652
Base-Backbone interact. energy: -3.723
local terms energy: -624.125459
where:
bonds (distance) C4'-P energy: -116.035
bonds (distance) P-C4' energy: -118.769
flat angles C4'-P-C4' energy: -131.654
flat angles P-C4'-P energy: -84.250
tors. eta vs tors. theta energy: -173.419
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: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1874.917924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.917924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.917924 (E_RNA)
where:
Base-Base interactions energy: -1272.766
where: short stacking energy: -522.784
Base-Backbone interact. energy: -1.054
local terms energy: -601.097660
where:
bonds (distance) C4'-P energy: -113.881
bonds (distance) P-C4' energy: -106.286
flat angles C4'-P-C4' energy: -137.461
flat angles P-C4'-P energy: -87.793
tors. eta vs tors. theta energy: -155.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1843.798673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.798673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.798673 (E_RNA)
where:
Base-Base interactions energy: -1264.396
where: short stacking energy: -514.996
Base-Backbone interact. energy: 7.114
local terms energy: -586.516833
where:
bonds (distance) C4'-P energy: -121.113
bonds (distance) P-C4' energy: -109.630
flat angles C4'-P-C4' energy: -119.251
flat angles P-C4'-P energy: -78.718
tors. eta vs tors. theta energy: -157.805
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: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1619.194635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.194635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.194635 (E_RNA)
where:
Base-Base interactions energy: -1087.259
where: short stacking energy: -453.411
Base-Backbone interact. energy: 1.618
local terms energy: -533.553492
where:
bonds (distance) C4'-P energy: -104.224
bonds (distance) P-C4' energy: -112.311
flat angles C4'-P-C4' energy: -123.711
flat angles P-C4'-P energy: -73.782
tors. eta vs tors. theta energy: -119.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1232.954650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.954650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.954650 (E_RNA)
where:
Base-Base interactions energy: -729.200
where: short stacking energy: -351.735
Base-Backbone interact. energy: -0.871
local terms energy: -502.883220
where:
bonds (distance) C4'-P energy: -113.494
bonds (distance) P-C4' energy: -110.427
flat angles C4'-P-C4' energy: -112.510
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: -88.237
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: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1196.879742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.879742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.879742 (E_RNA)
where:
Base-Base interactions energy: -746.488
where: short stacking energy: -320.176
Base-Backbone interact. energy: -2.217
local terms energy: -448.174324
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -104.213
flat angles C4'-P-C4' energy: -90.586
flat angles P-C4'-P energy: -64.981
tors. eta vs tors. theta energy: -76.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -611.734960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.734960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.734960 (E_RNA)
where:
Base-Base interactions energy: -252.612
where: short stacking energy: -161.966
Base-Backbone interact. energy: -1.879
local terms energy: -357.244816
where:
bonds (distance) C4'-P energy: -114.734
bonds (distance) P-C4' energy: -96.049
flat angles C4'-P-C4' energy: -81.439
flat angles P-C4'-P energy: -64.675
tors. eta vs tors. theta energy: -0.347
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: 172
Temperature: 1.350000
Total energy: -489.064475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.064475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.064475 (E_RNA)
where:
Base-Base interactions energy: -159.113
where: short stacking energy: -113.477
Base-Backbone interact. energy: -0.859
local terms energy: -329.092120
where:
bonds (distance) C4'-P energy: -103.838
bonds (distance) P-C4' energy: -117.657
flat angles C4'-P-C4' energy: -67.200
flat angles P-C4'-P energy: -58.268
tors. eta vs tors. theta energy: 17.871
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: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2301.086346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.086346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.086346 (E_RNA)
where:
Base-Base interactions energy: -1617.485
where: short stacking energy: -659.210
Base-Backbone interact. energy: -0.787
local terms energy: -682.814057
where:
bonds (distance) C4'-P energy: -130.330
bonds (distance) P-C4' energy: -127.178
flat angles C4'-P-C4' energy: -144.652
flat angles P-C4'-P energy: -96.085
tors. eta vs tors. theta energy: -184.569
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: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2115.924761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.924761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.924761 (E_RNA)
where:
Base-Base interactions energy: -1474.044
where: short stacking energy: -607.152
Base-Backbone interact. energy: 6.119
local terms energy: -647.999760
where:
bonds (distance) C4'-P energy: -124.017
bonds (distance) P-C4' energy: -128.058
flat angles C4'-P-C4' energy: -142.892
flat angles P-C4'-P energy: -76.699
tors. eta vs tors. theta energy: -176.335
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: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2001.793425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.793425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.793425 (E_RNA)
where:
Base-Base interactions energy: -1364.642
where: short stacking energy: -587.557
Base-Backbone interact. energy: -1.353
local terms energy: -635.797934
where:
bonds (distance) C4'-P energy: -113.997
bonds (distance) P-C4' energy: -128.416
flat angles C4'-P-C4' energy: -132.996
flat angles P-C4'-P energy: -82.374
tors. eta vs tors. theta energy: -178.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1915.517994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.517994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.517994 (E_RNA)
where:
Base-Base interactions energy: -1301.886
where: short stacking energy: -552.922
Base-Backbone interact. energy: -1.744
local terms energy: -611.888010
where:
bonds (distance) C4'-P energy: -117.734
bonds (distance) P-C4' energy: -118.157
flat angles C4'-P-C4' energy: -132.997
flat angles P-C4'-P energy: -81.912
tors. eta vs tors. theta energy: -161.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1716.132333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.132333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.132333 (E_RNA)
where:
Base-Base interactions energy: -1144.012
where: short stacking energy: -473.298
Base-Backbone interact. energy: 3.509
local terms energy: -575.629005
where:
bonds (distance) C4'-P energy: -111.058
bonds (distance) P-C4' energy: -110.810
flat angles C4'-P-C4' energy: -126.277
flat angles P-C4'-P energy: -87.890
tors. eta vs tors. theta energy: -139.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1632.475421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.475421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.475421 (E_RNA)
where:
Base-Base interactions energy: -1107.141
where: short stacking energy: -445.551
Base-Backbone interact. energy: -0.275
local terms energy: -525.058887
where:
bonds (distance) C4'-P energy: -102.304
bonds (distance) P-C4' energy: -110.280
flat angles C4'-P-C4' energy: -108.142
flat angles P-C4'-P energy: -89.106
tors. eta vs tors. theta energy: -115.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1238.440350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.440350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.440350 (E_RNA)
where:
Base-Base interactions energy: -737.526
where: short stacking energy: -345.385
Base-Backbone interact. energy: -1.698
local terms energy: -499.216110
where:
bonds (distance) C4'-P energy: -119.258
bonds (distance) P-C4' energy: -110.213
flat angles C4'-P-C4' energy: -125.971
flat angles P-C4'-P energy: -73.347
tors. eta vs tors. theta energy: -70.427
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: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1148.740713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.740713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.740713 (E_RNA)
where:
Base-Base interactions energy: -724.137
where: short stacking energy: -307.029
Base-Backbone interact. energy: 2.903
local terms energy: -427.506698
where:
bonds (distance) C4'-P energy: -73.612
bonds (distance) P-C4' energy: -113.462
flat angles C4'-P-C4' energy: -106.408
flat angles P-C4'-P energy: -69.725
tors. eta vs tors. theta energy: -64.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -645.791342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.791342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.791342 (E_RNA)
where:
Base-Base interactions energy: -273.091
where: short stacking energy: -157.143
Base-Backbone interact. energy: -0.026
local terms energy: -372.674453
where:
bonds (distance) C4'-P energy: -100.681
bonds (distance) P-C4' energy: -100.739
flat angles C4'-P-C4' energy: -102.744
flat angles P-C4'-P energy: -68.334
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: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -460.801559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.801559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.801559 (E_RNA)
where:
Base-Base interactions energy: -138.118
where: short stacking energy: -102.818
Base-Backbone interact. energy: -1.859
local terms energy: -320.824060
where:
bonds (distance) C4'-P energy: -115.981
bonds (distance) P-C4' energy: -97.692
flat angles C4'-P-C4' energy: -84.083
flat angles P-C4'-P energy: -43.373
tors. eta vs tors. theta energy: 20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2271.870272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.870272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.870272 (E_RNA)
where:
Base-Base interactions energy: -1597.707
where: short stacking energy: -646.533
Base-Backbone interact. energy: -0.400
local terms energy: -673.763420
where:
bonds (distance) C4'-P energy: -127.905
bonds (distance) P-C4' energy: -127.517
flat angles C4'-P-C4' energy: -149.603
flat angles P-C4'-P energy: -79.607
tors. eta vs tors. theta energy: -189.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2110.074108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.074108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.074108 (E_RNA)
where:
Base-Base interactions energy: -1458.511
where: short stacking energy: -600.476
Base-Backbone interact. energy: 0.920
local terms energy: -652.482661
where:
bonds (distance) C4'-P energy: -112.417
bonds (distance) P-C4' energy: -122.917
flat angles C4'-P-C4' energy: -137.673
flat angles P-C4'-P energy: -97.395
tors. eta vs tors. theta energy: -182.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2027.555139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.555139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.555139 (E_RNA)
where:
Base-Base interactions energy: -1414.344
where: short stacking energy: -586.289
Base-Backbone interact. energy: -3.820
local terms energy: -609.391399
where:
bonds (distance) C4'-P energy: -122.265
bonds (distance) P-C4' energy: -115.894
flat angles C4'-P-C4' energy: -122.592
flat angles P-C4'-P energy: -66.677
tors. eta vs tors. theta energy: -181.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1980.644875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.644875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.644875 (E_RNA)
where:
Base-Base interactions energy: -1362.101
where: short stacking energy: -562.351
Base-Backbone interact. energy: -0.595
local terms energy: -617.948617
where:
bonds (distance) C4'-P energy: -114.340
bonds (distance) P-C4' energy: -120.890
flat angles C4'-P-C4' energy: -135.179
flat angles P-C4'-P energy: -86.103
tors. eta vs tors. theta energy: -161.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1751.722218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.722218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.722218 (E_RNA)
where:
Base-Base interactions energy: -1175.582
where: short stacking energy: -492.776
Base-Backbone interact. energy: 3.956
local terms energy: -580.096441
where:
bonds (distance) C4'-P energy: -112.665
bonds (distance) P-C4' energy: -115.412
flat angles C4'-P-C4' energy: -123.307
flat angles P-C4'-P energy: -86.305
tors. eta vs tors. theta energy: -142.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1633.396517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.396517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.396517 (E_RNA)
where:
Base-Base interactions energy: -1089.898
where: short stacking energy: -451.515
Base-Backbone interact. energy: -0.098
local terms energy: -543.400526
where:
bonds (distance) C4'-P energy: -97.229
bonds (distance) P-C4' energy: -121.900
flat angles C4'-P-C4' energy: -122.244
flat angles P-C4'-P energy: -89.099
tors. eta vs tors. theta energy: -112.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1276.898839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.898839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.898839 (E_RNA)
where:
Base-Base interactions energy: -761.900
where: short stacking energy: -328.158
Base-Backbone interact. energy: -1.614
local terms energy: -513.384080
where:
bonds (distance) C4'-P energy: -122.789
bonds (distance) P-C4' energy: -124.209
flat angles C4'-P-C4' energy: -108.068
flat angles P-C4'-P energy: -66.225
tors. eta vs tors. theta energy: -92.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1208.360111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.360111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.360111 (E_RNA)
where:
Base-Base interactions energy: -741.331
where: short stacking energy: -344.540
Base-Backbone interact. energy: -0.285
local terms energy: -466.743628
where:
bonds (distance) C4'-P energy: -104.851
bonds (distance) P-C4' energy: -111.367
flat angles C4'-P-C4' energy: -102.579
flat angles P-C4'-P energy: -76.501
tors. eta vs tors. theta energy: -71.446
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: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -613.986284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.986284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.986284 (E_RNA)
where:
Base-Base interactions energy: -268.894
where: short stacking energy: -170.184
Base-Backbone interact. energy: -1.444
local terms energy: -343.648164
where:
bonds (distance) C4'-P energy: -108.162
bonds (distance) P-C4' energy: -102.619
flat angles C4'-P-C4' energy: -89.071
flat angles P-C4'-P energy: -39.645
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: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -452.222060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.222060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.222060 (E_RNA)
where:
Base-Base interactions energy: -143.333
where: short stacking energy: -120.570
Base-Backbone interact. energy: -1.472
local terms energy: -307.416802
where:
bonds (distance) C4'-P energy: -93.923
bonds (distance) P-C4' energy: -115.314
flat angles C4'-P-C4' energy: -88.296
flat angles P-C4'-P energy: -32.622
tors. eta vs tors. theta energy: 22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2267.483028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.483028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.483028 (E_RNA)
where:
Base-Base interactions energy: -1592.513
where: short stacking energy: -632.666
Base-Backbone interact. energy: -4.382
local terms energy: -670.588318
where:
bonds (distance) C4'-P energy: -125.217
bonds (distance) P-C4' energy: -129.015
flat angles C4'-P-C4' energy: -140.347
flat angles P-C4'-P energy: -100.702
tors. eta vs tors. theta energy: -175.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2089.225254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.225254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.225254 (E_RNA)
where:
Base-Base interactions energy: -1468.549
where: short stacking energy: -602.473
Base-Backbone interact. energy: 2.864
local terms energy: -623.540702
where:
bonds (distance) C4'-P energy: -122.652
bonds (distance) P-C4' energy: -112.289
flat angles C4'-P-C4' energy: -123.648
flat angles P-C4'-P energy: -92.810
tors. eta vs tors. theta energy: -172.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2006.705082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.705082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.705082 (E_RNA)
where:
Base-Base interactions energy: -1379.760
where: short stacking energy: -592.553
Base-Backbone interact. energy: 1.622
local terms energy: -628.567380
where:
bonds (distance) C4'-P energy: -119.762
bonds (distance) P-C4' energy: -108.610
flat angles C4'-P-C4' energy: -124.907
flat angles P-C4'-P energy: -91.854
tors. eta vs tors. theta energy: -183.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1933.225676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.225676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.225676 (E_RNA)
where:
Base-Base interactions energy: -1316.547
where: short stacking energy: -526.689
Base-Backbone interact. energy: -4.510
local terms energy: -612.168931
where:
bonds (distance) C4'-P energy: -114.108
bonds (distance) P-C4' energy: -116.211
flat angles C4'-P-C4' energy: -139.638
flat angles P-C4'-P energy: -81.347
tors. eta vs tors. theta energy: -160.865
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: 175
Temperature: 1.100000
Total energy: -1779.898789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.898789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.898789 (E_RNA)
where:
Base-Base interactions energy: -1216.101
where: short stacking energy: -500.333
Base-Backbone interact. energy: -2.085
local terms energy: -561.712927
where:
bonds (distance) C4'-P energy: -120.436
bonds (distance) P-C4' energy: -115.012
flat angles C4'-P-C4' energy: -108.973
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -142.101
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: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1588.881301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.881301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.881301 (E_RNA)
where:
Base-Base interactions energy: -1045.219
where: short stacking energy: -447.507
Base-Backbone interact. energy: -0.854
local terms energy: -542.808746
where:
bonds (distance) C4'-P energy: -111.673
bonds (distance) P-C4' energy: -102.274
flat angles C4'-P-C4' energy: -116.105
flat angles P-C4'-P energy: -84.147
tors. eta vs tors. theta energy: -128.610
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: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1312.712243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.712243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.712243 (E_RNA)
where:
Base-Base interactions energy: -855.143
where: short stacking energy: -361.357
Base-Backbone interact. energy: -3.405
local terms energy: -454.163558
where:
bonds (distance) C4'-P energy: -120.718
bonds (distance) P-C4' energy: -101.538
flat angles C4'-P-C4' energy: -100.742
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -65.107
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: 175
Temperature: 1.250000
Total energy: -1210.147936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.147936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.147936 (E_RNA)
where:
Base-Base interactions energy: -747.767
where: short stacking energy: -342.142
Base-Backbone interact. energy: -0.685
local terms energy: -461.695988
where:
bonds (distance) C4'-P energy: -117.790
bonds (distance) P-C4' energy: -87.956
flat angles C4'-P-C4' energy: -112.227
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -89.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -659.342749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.342749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.342749 (E_RNA)
where:
Base-Base interactions energy: -310.389
where: short stacking energy: -149.960
Base-Backbone interact. energy: 1.479
local terms energy: -350.433063
where:
bonds (distance) C4'-P energy: -102.933
bonds (distance) P-C4' energy: -135.333
flat angles C4'-P-C4' energy: -87.901
flat angles P-C4'-P energy: -45.093
tors. eta vs tors. theta energy: 20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -447.937928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.937928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.937928 (E_RNA)
where:
Base-Base interactions energy: -155.098
where: short stacking energy: -120.464
Base-Backbone interact. energy: 2.814
local terms energy: -295.653680
where:
bonds (distance) C4'-P energy: -88.799
bonds (distance) P-C4' energy: -99.434
flat angles C4'-P-C4' energy: -79.889
flat angles P-C4'-P energy: -55.608
tors. eta vs tors. theta energy: 28.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2274.747702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.747702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.747702 (E_RNA)
where:
Base-Base interactions energy: -1599.603
where: short stacking energy: -631.244
Base-Backbone interact. energy: 1.582
local terms energy: -676.726099
where:
bonds (distance) C4'-P energy: -123.612
bonds (distance) P-C4' energy: -118.487
flat angles C4'-P-C4' energy: -147.119
flat angles P-C4'-P energy: -101.404
tors. eta vs tors. theta energy: -186.103
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2089.276144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.276144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.276144 (E_RNA)
where:
Base-Base interactions energy: -1444.203
where: short stacking energy: -570.174
Base-Backbone interact. energy: -2.543
local terms energy: -642.530032
where:
bonds (distance) C4'-P energy: -124.484
bonds (distance) P-C4' energy: -120.231
flat angles C4'-P-C4' energy: -135.995
flat angles P-C4'-P energy: -84.235
tors. eta vs tors. theta energy: -177.584
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: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2035.054180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.054180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.054180 (E_RNA)
where:
Base-Base interactions energy: -1392.905
where: short stacking energy: -596.556
Base-Backbone interact. energy: -2.101
local terms energy: -640.048579
where:
bonds (distance) C4'-P energy: -118.409
bonds (distance) P-C4' energy: -114.682
flat angles C4'-P-C4' energy: -125.088
flat angles P-C4'-P energy: -93.221
tors. eta vs tors. theta energy: -188.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1899.455000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.455000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.455000 (E_RNA)
where:
Base-Base interactions energy: -1307.417
where: short stacking energy: -557.282
Base-Backbone interact. energy: -2.441
local terms energy: -589.596688
where:
bonds (distance) C4'-P energy: -117.621
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -131.515
flat angles P-C4'-P energy: -70.842
tors. eta vs tors. theta energy: -159.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1759.726452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.726452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.726452 (E_RNA)
where:
Base-Base interactions energy: -1185.292
where: short stacking energy: -506.155
Base-Backbone interact. energy: -0.629
local terms energy: -573.805242
where:
bonds (distance) C4'-P energy: -116.889
bonds (distance) P-C4' energy: -119.080
flat angles C4'-P-C4' energy: -111.357
flat angles P-C4'-P energy: -77.736
tors. eta vs tors. theta energy: -148.743
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: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1681.918070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.918070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.918070 (E_RNA)
where:
Base-Base interactions energy: -1171.631
where: short stacking energy: -472.650
Base-Backbone interact. energy: 0.076
local terms energy: -510.363126
where:
bonds (distance) C4'-P energy: -97.738
bonds (distance) P-C4' energy: -97.961
flat angles C4'-P-C4' energy: -110.648
flat angles P-C4'-P energy: -77.293
tors. eta vs tors. theta energy: -126.722
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: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1413.794108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.794108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.794108 (E_RNA)
where:
Base-Base interactions energy: -885.098
where: short stacking energy: -414.427
Base-Backbone interact. energy: -3.083
local terms energy: -525.613244
where:
bonds (distance) C4'-P energy: -101.870
bonds (distance) P-C4' energy: -117.082
flat angles C4'-P-C4' energy: -125.875
flat angles P-C4'-P energy: -69.532
tors. eta vs tors. theta energy: -111.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1142.511070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.511070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.511070 (E_RNA)
where:
Base-Base interactions energy: -705.370
where: short stacking energy: -323.065
Base-Backbone interact. energy: -0.914
local terms energy: -436.227154
where:
bonds (distance) C4'-P energy: -101.218
bonds (distance) P-C4' energy: -107.759
flat angles C4'-P-C4' energy: -105.129
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -71.250
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: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -698.679555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.679555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.679555 (E_RNA)
where:
Base-Base interactions energy: -305.721
where: short stacking energy: -184.783
Base-Backbone interact. energy: 1.929
local terms energy: -394.887326
where:
bonds (distance) C4'-P energy: -107.311
bonds (distance) P-C4' energy: -116.943
flat angles C4'-P-C4' energy: -97.190
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -13.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -440.047054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.047054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.047054 (E_RNA)
where:
Base-Base interactions energy: -124.603
where: short stacking energy: -88.194
Base-Backbone interact. energy: 2.550
local terms energy: -317.994003
where:
bonds (distance) C4'-P energy: -101.008
bonds (distance) P-C4' energy: -107.366
flat angles C4'-P-C4' energy: -84.548
flat angles P-C4'-P energy: -56.352
tors. eta vs tors. theta energy: 31.279
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: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2265.637353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.637353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.637353 (E_RNA)
where:
Base-Base interactions energy: -1614.324
where: short stacking energy: -630.239
Base-Backbone interact. energy: 2.094
local terms energy: -653.407375
where:
bonds (distance) C4'-P energy: -123.369
bonds (distance) P-C4' energy: -112.223
flat angles C4'-P-C4' energy: -141.794
flat angles P-C4'-P energy: -96.979
tors. eta vs tors. theta energy: -179.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2042.344065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.344065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.344065 (E_RNA)
where:
Base-Base interactions energy: -1414.071
where: short stacking energy: -533.762
Base-Backbone interact. energy: -1.018
local terms energy: -627.254616
where:
bonds (distance) C4'-P energy: -110.764
bonds (distance) P-C4' energy: -118.585
flat angles C4'-P-C4' energy: -134.569
flat angles P-C4'-P energy: -89.395
tors. eta vs tors. theta energy: -173.941
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2034.741002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.741002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.741002 (E_RNA)
where:
Base-Base interactions energy: -1408.034
where: short stacking energy: -568.784
Base-Backbone interact. energy: 1.064
local terms energy: -627.771465
where:
bonds (distance) C4'-P energy: -108.417
bonds (distance) P-C4' energy: -117.831
flat angles C4'-P-C4' energy: -135.274
flat angles P-C4'-P energy: -97.618
tors. eta vs tors. theta energy: -168.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1912.051272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.051272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.051272 (E_RNA)
where:
Base-Base interactions energy: -1320.633
where: short stacking energy: -555.870
Base-Backbone interact. energy: 0.683
local terms energy: -592.101260
where:
bonds (distance) C4'-P energy: -108.132
bonds (distance) P-C4' energy: -114.992
flat angles C4'-P-C4' energy: -110.971
flat angles P-C4'-P energy: -91.047
tors. eta vs tors. theta energy: -166.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1750.665865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.665865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.665865 (E_RNA)
where:
Base-Base interactions energy: -1168.299
where: short stacking energy: -471.769
Base-Backbone interact. energy: -4.377
local terms energy: -577.989719
where:
bonds (distance) C4'-P energy: -133.779
bonds (distance) P-C4' energy: -118.101
flat angles C4'-P-C4' energy: -113.734
flat angles P-C4'-P energy: -90.807
tors. eta vs tors. theta energy: -121.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1669.183081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.183081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.183081 (E_RNA)
where:
Base-Base interactions energy: -1126.927
where: short stacking energy: -476.229
Base-Backbone interact. energy: -1.312
local terms energy: -540.943431
where:
bonds (distance) C4'-P energy: -97.674
bonds (distance) P-C4' energy: -127.031
flat angles C4'-P-C4' energy: -117.629
flat angles P-C4'-P energy: -73.480
tors. eta vs tors. theta energy: -125.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1374.642616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.642616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.642616 (E_RNA)
where:
Base-Base interactions energy: -870.574
where: short stacking energy: -384.538
Base-Backbone interact. energy: -3.702
local terms energy: -500.366378
where:
bonds (distance) C4'-P energy: -103.340
bonds (distance) P-C4' energy: -105.741
flat angles C4'-P-C4' energy: -127.639
flat angles P-C4'-P energy: -74.652
tors. eta vs tors. theta energy: -88.994
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: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1029.764351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.764351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.764351 (E_RNA)
where:
Base-Base interactions energy: -587.033
where: short stacking energy: -251.159
Base-Backbone interact. energy: -0.089
local terms energy: -442.642262
where:
bonds (distance) C4'-P energy: -125.468
bonds (distance) P-C4' energy: -110.854
flat angles C4'-P-C4' energy: -92.638
flat angles P-C4'-P energy: -64.308
tors. eta vs tors. theta energy: -49.375
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: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -709.274807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.274807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.274807 (E_RNA)
where:
Base-Base interactions energy: -356.077
where: short stacking energy: -201.014
Base-Backbone interact. energy: 5.819
local terms energy: -359.016872
where:
bonds (distance) C4'-P energy: -107.613
bonds (distance) P-C4' energy: -108.049
flat angles C4'-P-C4' energy: -68.544
flat angles P-C4'-P energy: -59.175
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -466.204455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.204455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.204455 (E_RNA)
where:
Base-Base interactions energy: -164.046
where: short stacking energy: -96.667
Base-Backbone interact. energy: 2.019
local terms energy: -304.177311
where:
bonds (distance) C4'-P energy: -90.560
bonds (distance) P-C4' energy: -110.309
flat angles C4'-P-C4' energy: -106.893
flat angles P-C4'-P energy: -36.405
tors. eta vs tors. theta energy: 39.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2283.201289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.201289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.201289 (E_RNA)
where:
Base-Base interactions energy: -1636.822
where: short stacking energy: -652.496
Base-Backbone interact. energy: 1.176
local terms energy: -647.555334
where:
bonds (distance) C4'-P energy: -121.022
bonds (distance) P-C4' energy: -121.265
flat angles C4'-P-C4' energy: -127.550
flat angles P-C4'-P energy: -92.343
tors. eta vs tors. theta energy: -185.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2093.434753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.434753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.434753 (E_RNA)
where:
Base-Base interactions energy: -1459.268
where: short stacking energy: -571.816
Base-Backbone interact. energy: -2.842
local terms energy: -631.324621
where:
bonds (distance) C4'-P energy: -110.339
bonds (distance) P-C4' energy: -120.352
flat angles C4'-P-C4' energy: -136.735
flat angles P-C4'-P energy: -90.806
tors. eta vs tors. theta energy: -173.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2021.762495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.762495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.762495 (E_RNA)
where:
Base-Base interactions energy: -1377.605
where: short stacking energy: -567.503
Base-Backbone interact. energy: -0.035
local terms energy: -644.122535
where:
bonds (distance) C4'-P energy: -121.986
bonds (distance) P-C4' energy: -130.293
flat angles C4'-P-C4' energy: -124.661
flat angles P-C4'-P energy: -92.155
tors. eta vs tors. theta energy: -175.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1898.764869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.764869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.764869 (E_RNA)
where:
Base-Base interactions energy: -1308.787
where: short stacking energy: -540.856
Base-Backbone interact. energy: -5.511
local terms energy: -584.465986
where:
bonds (distance) C4'-P energy: -108.186
bonds (distance) P-C4' energy: -110.121
flat angles C4'-P-C4' energy: -138.890
flat angles P-C4'-P energy: -72.708
tors. eta vs tors. theta energy: -154.561
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: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1760.684048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.684048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.684048 (E_RNA)
where:
Base-Base interactions energy: -1209.716
where: short stacking energy: -522.244
Base-Backbone interact. energy: -3.309
local terms energy: -547.658972
where:
bonds (distance) C4'-P energy: -95.740
bonds (distance) P-C4' energy: -109.648
flat angles C4'-P-C4' energy: -119.896
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -144.017
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: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1690.221713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.221713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.221713 (E_RNA)
where:
Base-Base interactions energy: -1163.715
where: short stacking energy: -472.704
Base-Backbone interact. energy: 1.396
local terms energy: -527.902831
where:
bonds (distance) C4'-P energy: -97.498
bonds (distance) P-C4' energy: -107.492
flat angles C4'-P-C4' energy: -121.197
flat angles P-C4'-P energy: -72.814
tors. eta vs tors. theta energy: -128.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1370.021450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.021450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.021450 (E_RNA)
where:
Base-Base interactions energy: -889.726
where: short stacking energy: -378.290
Base-Backbone interact. energy: 2.899
local terms energy: -483.194415
where:
bonds (distance) C4'-P energy: -104.249
bonds (distance) P-C4' energy: -111.289
flat angles C4'-P-C4' energy: -111.215
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -102.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1118.515536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.515536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.515536 (E_RNA)
where:
Base-Base interactions energy: -701.139
where: short stacking energy: -310.710
Base-Backbone interact. energy: -3.130
local terms energy: -414.247066
where:
bonds (distance) C4'-P energy: -96.956
bonds (distance) P-C4' energy: -90.179
flat angles C4'-P-C4' energy: -106.918
flat angles P-C4'-P energy: -57.958
tors. eta vs tors. theta energy: -62.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -690.821859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.821859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.821859 (E_RNA)
where:
Base-Base interactions energy: -335.323
where: short stacking energy: -180.705
Base-Backbone interact. energy: -1.536
local terms energy: -353.962794
where:
bonds (distance) C4'-P energy: -89.943
bonds (distance) P-C4' energy: -108.402
flat angles C4'-P-C4' energy: -91.396
flat angles P-C4'-P energy: -53.467
tors. eta vs tors. theta energy: -10.756
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: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -448.003940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.003940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.003940 (E_RNA)
where:
Base-Base interactions energy: -138.693
where: short stacking energy: -107.193
Base-Backbone interact. energy: 6.161
local terms energy: -315.472519
where:
bonds (distance) C4'-P energy: -104.980
bonds (distance) P-C4' energy: -128.251
flat angles C4'-P-C4' energy: -70.718
flat angles P-C4'-P energy: -46.191
tors. eta vs tors. theta energy: 34.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2314.184578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.184578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.184578 (E_RNA)
where:
Base-Base interactions energy: -1627.107
where: short stacking energy: -652.582
Base-Backbone interact. energy: -1.837
local terms energy: -685.240639
where:
bonds (distance) C4'-P energy: -123.793
bonds (distance) P-C4' energy: -127.371
flat angles C4'-P-C4' energy: -143.439
flat angles P-C4'-P energy: -103.249
tors. eta vs tors. theta energy: -187.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2082.431177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.431177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.431177 (E_RNA)
where:
Base-Base interactions energy: -1445.051
where: short stacking energy: -587.059
Base-Backbone interact. energy: 3.466
local terms energy: -640.846626
where:
bonds (distance) C4'-P energy: -121.364
bonds (distance) P-C4' energy: -115.201
flat angles C4'-P-C4' energy: -144.906
flat angles P-C4'-P energy: -79.690
tors. eta vs tors. theta energy: -179.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2028.585016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.585016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.585016 (E_RNA)
where:
Base-Base interactions energy: -1382.018
where: short stacking energy: -559.758
Base-Backbone interact. energy: -1.284
local terms energy: -645.282784
where:
bonds (distance) C4'-P energy: -117.965
bonds (distance) P-C4' energy: -118.335
flat angles C4'-P-C4' energy: -148.116
flat angles P-C4'-P energy: -96.440
tors. eta vs tors. theta energy: -164.427
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: 179
Temperature: 1.050000
Total energy: -1847.385753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.385753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.385753 (E_RNA)
where:
Base-Base interactions energy: -1252.811
where: short stacking energy: -540.764
Base-Backbone interact. energy: 1.429
local terms energy: -596.004009
where:
bonds (distance) C4'-P energy: -106.171
bonds (distance) P-C4' energy: -102.726
flat angles C4'-P-C4' energy: -134.942
flat angles P-C4'-P energy: -84.080
tors. eta vs tors. theta energy: -168.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1837.182606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.182606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.182606 (E_RNA)
where:
Base-Base interactions energy: -1246.683
where: short stacking energy: -505.983
Base-Backbone interact. energy: -3.135
local terms energy: -587.364814
where:
bonds (distance) C4'-P energy: -108.772
bonds (distance) P-C4' energy: -110.628
flat angles C4'-P-C4' energy: -132.893
flat angles P-C4'-P energy: -82.485
tors. eta vs tors. theta energy: -152.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1693.278173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.278173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.278173 (E_RNA)
where:
Base-Base interactions energy: -1148.476
where: short stacking energy: -485.036
Base-Backbone interact. energy: -2.074
local terms energy: -542.728847
where:
bonds (distance) C4'-P energy: -117.420
bonds (distance) P-C4' energy: -106.656
flat angles C4'-P-C4' energy: -116.903
flat angles P-C4'-P energy: -71.749
tors. eta vs tors. theta energy: -130.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1315.433653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.433653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.433653 (E_RNA)
where:
Base-Base interactions energy: -845.721
where: short stacking energy: -345.958
Base-Backbone interact. energy: 0.588
local terms energy: -470.300786
where:
bonds (distance) C4'-P energy: -102.500
bonds (distance) P-C4' energy: -108.211
flat angles C4'-P-C4' energy: -109.814
flat angles P-C4'-P energy: -69.573
tors. eta vs tors. theta energy: -80.203
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: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1077.335963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.335963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.335963 (E_RNA)
where:
Base-Base interactions energy: -652.561
where: short stacking energy: -291.672
Base-Backbone interact. energy: -5.867
local terms energy: -418.907880
where:
bonds (distance) C4'-P energy: -112.805
bonds (distance) P-C4' energy: -94.959
flat angles C4'-P-C4' energy: -110.319
flat angles P-C4'-P energy: -53.632
tors. eta vs tors. theta energy: -47.193
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: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -653.194166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.194166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.194166 (E_RNA)
where:
Base-Base interactions energy: -303.475
where: short stacking energy: -182.126
Base-Backbone interact. energy: 3.263
local terms energy: -352.982097
where:
bonds (distance) C4'-P energy: -111.656
bonds (distance) P-C4' energy: -90.318
flat angles C4'-P-C4' energy: -86.777
flat angles P-C4'-P energy: -51.139
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -454.151844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.151844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.151844 (E_RNA)
where:
Base-Base interactions energy: -166.649
where: short stacking energy: -126.553
Base-Backbone interact. energy: 0.425
local terms energy: -287.928346
where:
bonds (distance) C4'-P energy: -80.606
bonds (distance) P-C4' energy: -117.850
flat angles C4'-P-C4' energy: -84.077
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: 7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2305.400531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.400531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.400531 (E_RNA)
where:
Base-Base interactions energy: -1631.403
where: short stacking energy: -657.015
Base-Backbone interact. energy: 2.000
local terms energy: -675.997154
where:
bonds (distance) C4'-P energy: -135.543
bonds (distance) P-C4' energy: -124.097
flat angles C4'-P-C4' energy: -136.966
flat angles P-C4'-P energy: -90.020
tors. eta vs tors. theta energy: -189.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2083.713094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.713094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.713094 (E_RNA)
where:
Base-Base interactions energy: -1411.632
where: short stacking energy: -575.484
Base-Backbone interact. energy: -0.639
local terms energy: -671.442041
where:
bonds (distance) C4'-P energy: -123.482
bonds (distance) P-C4' energy: -132.776
flat angles C4'-P-C4' energy: -147.466
flat angles P-C4'-P energy: -80.299
tors. eta vs tors. theta energy: -187.419
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1996.031829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.031829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.031829 (E_RNA)
where:
Base-Base interactions energy: -1370.945
where: short stacking energy: -556.240
Base-Backbone interact. energy: -2.944
local terms energy: -622.143279
where:
bonds (distance) C4'-P energy: -110.512
bonds (distance) P-C4' energy: -114.741
flat angles C4'-P-C4' energy: -144.231
flat angles P-C4'-P energy: -89.660
tors. eta vs tors. theta energy: -163.000
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: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1824.358976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.358976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.358976 (E_RNA)
where:
Base-Base interactions energy: -1242.940
where: short stacking energy: -528.122
Base-Backbone interact. energy: -0.154
local terms energy: -581.265226
where:
bonds (distance) C4'-P energy: -122.558
bonds (distance) P-C4' energy: -98.473
flat angles C4'-P-C4' energy: -126.838
flat angles P-C4'-P energy: -90.596
tors. eta vs tors. theta energy: -142.800
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: 180
Temperature: 1.100000
Total energy: -1799.270737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.270737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.270737 (E_RNA)
where:
Base-Base interactions energy: -1223.654
where: short stacking energy: -472.396
Base-Backbone interact. energy: -1.447
local terms energy: -574.169644
where:
bonds (distance) C4'-P energy: -118.677
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -124.396
flat angles P-C4'-P energy: -81.590
tors. eta vs tors. theta energy: -135.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1716.080398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.080398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.080398 (E_RNA)
where:
Base-Base interactions energy: -1166.856
where: short stacking energy: -460.004
Base-Backbone interact. energy: -3.852
local terms energy: -545.371447
where:
bonds (distance) C4'-P energy: -109.821
bonds (distance) P-C4' energy: -120.044
flat angles C4'-P-C4' energy: -123.279
flat angles P-C4'-P energy: -72.127
tors. eta vs tors. theta energy: -120.100
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: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1315.554928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.554928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.554928 (E_RNA)
where:
Base-Base interactions energy: -858.517
where: short stacking energy: -366.259
Base-Backbone interact. energy: -1.945
local terms energy: -455.092635
where:
bonds (distance) C4'-P energy: -85.007
bonds (distance) P-C4' energy: -111.327
flat angles C4'-P-C4' energy: -113.206
flat angles P-C4'-P energy: -75.107
tors. eta vs tors. theta energy: -70.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1044.838777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.838777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.838777 (E_RNA)
where:
Base-Base interactions energy: -604.743
where: short stacking energy: -291.525
Base-Backbone interact. energy: 1.453
local terms energy: -441.548587
where:
bonds (distance) C4'-P energy: -99.047
bonds (distance) P-C4' energy: -112.744
flat angles C4'-P-C4' energy: -119.852
flat angles P-C4'-P energy: -57.933
tors. eta vs tors. theta energy: -51.974
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: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -705.964744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.964744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.964744 (E_RNA)
where:
Base-Base interactions energy: -311.569
where: short stacking energy: -193.574
Base-Backbone interact. energy: 2.310
local terms energy: -396.706160
where:
bonds (distance) C4'-P energy: -108.627
bonds (distance) P-C4' energy: -128.871
flat angles C4'-P-C4' energy: -104.549
flat angles P-C4'-P energy: -52.641
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -467.375000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.375000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.375000 (E_RNA)
where:
Base-Base interactions energy: -160.030
where: short stacking energy: -107.496
Base-Backbone interact. energy: -2.885
local terms energy: -304.460484
where:
bonds (distance) C4'-P energy: -89.038
bonds (distance) P-C4' energy: -109.793
flat angles C4'-P-C4' energy: -79.379
flat angles P-C4'-P energy: -65.850
tors. eta vs tors. theta energy: 39.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2312.207081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.207081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.207081 (E_RNA)
where:
Base-Base interactions energy: -1638.282
where: short stacking energy: -632.690
Base-Backbone interact. energy: 0.070
local terms energy: -673.994876
where:
bonds (distance) C4'-P energy: -123.615
bonds (distance) P-C4' energy: -118.201
flat angles C4'-P-C4' energy: -150.171
flat angles P-C4'-P energy: -92.005
tors. eta vs tors. theta energy: -190.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2058.607332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.607332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.607332 (E_RNA)
where:
Base-Base interactions energy: -1418.598
where: short stacking energy: -586.638
Base-Backbone interact. energy: -1.244
local terms energy: -638.766148
where:
bonds (distance) C4'-P energy: -114.326
bonds (distance) P-C4' energy: -125.107
flat angles C4'-P-C4' energy: -145.657
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -168.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2008.655633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.655633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.655633 (E_RNA)
where:
Base-Base interactions energy: -1361.337
where: short stacking energy: -550.116
Base-Backbone interact. energy: -0.888
local terms energy: -646.430671
where:
bonds (distance) C4'-P energy: -125.769
bonds (distance) P-C4' energy: -123.215
flat angles C4'-P-C4' energy: -132.637
flat angles P-C4'-P energy: -89.901
tors. eta vs tors. theta energy: -174.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1857.279890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.279890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.279890 (E_RNA)
where:
Base-Base interactions energy: -1263.298
where: short stacking energy: -512.780
Base-Backbone interact. energy: -4.370
local terms energy: -589.612020
where:
bonds (distance) C4'-P energy: -130.902
bonds (distance) P-C4' energy: -111.352
flat angles C4'-P-C4' energy: -110.684
flat angles P-C4'-P energy: -81.646
tors. eta vs tors. theta energy: -155.028
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: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1683.846233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.846233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.846233 (E_RNA)
where:
Base-Base interactions energy: -1149.456
where: short stacking energy: -476.482
Base-Backbone interact. energy: 6.628
local terms energy: -541.018388
where:
bonds (distance) C4'-P energy: -115.412
bonds (distance) P-C4' energy: -92.246
flat angles C4'-P-C4' energy: -120.446
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -131.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1728.348154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.348154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.348154 (E_RNA)
where:
Base-Base interactions energy: -1175.467
where: short stacking energy: -477.912
Base-Backbone interact. energy: -3.483
local terms energy: -549.398777
where:
bonds (distance) C4'-P energy: -92.968
bonds (distance) P-C4' energy: -104.858
flat angles C4'-P-C4' energy: -121.930
flat angles P-C4'-P energy: -90.453
tors. eta vs tors. theta energy: -139.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1386.398956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.398956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.398956 (E_RNA)
where:
Base-Base interactions energy: -880.092
where: short stacking energy: -412.920
Base-Backbone interact. energy: -0.798
local terms energy: -505.508309
where:
bonds (distance) C4'-P energy: -114.037
bonds (distance) P-C4' energy: -100.057
flat angles C4'-P-C4' energy: -113.906
flat angles P-C4'-P energy: -66.346
tors. eta vs tors. theta energy: -111.162
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1016.329821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.329821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.329821 (E_RNA)
where:
Base-Base interactions energy: -586.455
where: short stacking energy: -266.954
Base-Backbone interact. energy: 1.406
local terms energy: -431.281363
where:
bonds (distance) C4'-P energy: -114.388
bonds (distance) P-C4' energy: -131.708
flat angles C4'-P-C4' energy: -106.446
flat angles P-C4'-P energy: -39.240
tors. eta vs tors. theta energy: -39.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -662.663027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.663027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.663027 (E_RNA)
where:
Base-Base interactions energy: -299.296
where: short stacking energy: -155.156
Base-Backbone interact. energy: -2.032
local terms energy: -361.334529
where:
bonds (distance) C4'-P energy: -99.927
bonds (distance) P-C4' energy: -111.113
flat angles C4'-P-C4' energy: -95.448
flat angles P-C4'-P energy: -55.445
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -447.960848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.960848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.960848 (E_RNA)
where:
Base-Base interactions energy: -135.504
where: short stacking energy: -115.754
Base-Backbone interact. energy: -1.378
local terms energy: -311.078769
where:
bonds (distance) C4'-P energy: -94.763
bonds (distance) P-C4' energy: -120.716
flat angles C4'-P-C4' energy: -89.875
flat angles P-C4'-P energy: -33.316
tors. eta vs tors. theta energy: 27.591
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: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2309.354061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.354061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.354061 (E_RNA)
where:
Base-Base interactions energy: -1627.060
where: short stacking energy: -653.546
Base-Backbone interact. energy: -0.383
local terms energy: -681.911138
where:
bonds (distance) C4'-P energy: -118.327
bonds (distance) P-C4' energy: -126.920
flat angles C4'-P-C4' energy: -140.172
flat angles P-C4'-P energy: -107.007
tors. eta vs tors. theta energy: -189.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2088.378301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.378301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.378301 (E_RNA)
where:
Base-Base interactions energy: -1461.081
where: short stacking energy: -586.670
Base-Backbone interact. energy: -4.630
local terms energy: -622.667853
where:
bonds (distance) C4'-P energy: -113.782
bonds (distance) P-C4' energy: -110.313
flat angles C4'-P-C4' energy: -142.058
flat angles P-C4'-P energy: -89.259
tors. eta vs tors. theta energy: -167.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1986.447600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.447600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.447600 (E_RNA)
where:
Base-Base interactions energy: -1365.603
where: short stacking energy: -559.367
Base-Backbone interact. energy: -0.908
local terms energy: -619.936494
where:
bonds (distance) C4'-P energy: -102.612
bonds (distance) P-C4' energy: -123.174
flat angles C4'-P-C4' energy: -141.496
flat angles P-C4'-P energy: -83.697
tors. eta vs tors. theta energy: -168.958
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: 182
Temperature: 1.050000
Total energy: -1860.327253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.327253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.327253 (E_RNA)
where:
Base-Base interactions energy: -1260.020
where: short stacking energy: -518.267
Base-Backbone interact. energy: -0.269
local terms energy: -600.037664
where:
bonds (distance) C4'-P energy: -112.987
bonds (distance) P-C4' energy: -103.731
flat angles C4'-P-C4' energy: -137.162
flat angles P-C4'-P energy: -86.917
tors. eta vs tors. theta energy: -159.241
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: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1739.593398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.593398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.593398 (E_RNA)
where:
Base-Base interactions energy: -1161.845
where: short stacking energy: -466.065
Base-Backbone interact. energy: -0.048
local terms energy: -577.699852
where:
bonds (distance) C4'-P energy: -105.526
bonds (distance) P-C4' energy: -126.370
flat angles C4'-P-C4' energy: -135.521
flat angles P-C4'-P energy: -75.638
tors. eta vs tors. theta energy: -134.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1710.615641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.615641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.615641 (E_RNA)
where:
Base-Base interactions energy: -1149.028
where: short stacking energy: -440.293
Base-Backbone interact. energy: -2.492
local terms energy: -559.095271
where:
bonds (distance) C4'-P energy: -106.602
bonds (distance) P-C4' energy: -97.769
flat angles C4'-P-C4' energy: -141.191
flat angles P-C4'-P energy: -88.467
tors. eta vs tors. theta energy: -125.066
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: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1421.356486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.356486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.356486 (E_RNA)
where:
Base-Base interactions energy: -927.762
where: short stacking energy: -406.568
Base-Backbone interact. energy: -3.641
local terms energy: -489.953581
where:
bonds (distance) C4'-P energy: -84.306
bonds (distance) P-C4' energy: -115.615
flat angles C4'-P-C4' energy: -110.373
flat angles P-C4'-P energy: -76.320
tors. eta vs tors. theta energy: -103.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1018.328719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.328719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.328719 (E_RNA)
where:
Base-Base interactions energy: -579.427
where: short stacking energy: -272.613
Base-Backbone interact. energy: -1.884
local terms energy: -437.018134
where:
bonds (distance) C4'-P energy: -114.095
bonds (distance) P-C4' energy: -100.583
flat angles C4'-P-C4' energy: -104.214
flat angles P-C4'-P energy: -69.148
tors. eta vs tors. theta energy: -48.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -687.764082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.764082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.764082 (E_RNA)
where:
Base-Base interactions energy: -334.529
where: short stacking energy: -169.191
Base-Backbone interact. energy: -0.634
local terms energy: -352.600744
where:
bonds (distance) C4'-P energy: -102.671
bonds (distance) P-C4' energy: -116.991
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -57.113
tors. eta vs tors. theta energy: 6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -441.119753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.119753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.119753 (E_RNA)
where:
Base-Base interactions energy: -107.862
where: short stacking energy: -104.112
Base-Backbone interact. energy: -1.549
local terms energy: -331.709465
where:
bonds (distance) C4'-P energy: -101.151
bonds (distance) P-C4' energy: -110.690
flat angles C4'-P-C4' energy: -87.252
flat angles P-C4'-P energy: -61.114
tors. eta vs tors. theta energy: 28.497
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: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2323.956485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.956485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.956485 (E_RNA)
where:
Base-Base interactions energy: -1643.309
where: short stacking energy: -668.538
Base-Backbone interact. energy: 2.850
local terms energy: -683.497479
where:
bonds (distance) C4'-P energy: -128.002
bonds (distance) P-C4' energy: -128.918
flat angles C4'-P-C4' energy: -145.765
flat angles P-C4'-P energy: -91.410
tors. eta vs tors. theta energy: -189.403
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: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2089.041699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.041699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.041699 (E_RNA)
where:
Base-Base interactions energy: -1446.717
where: short stacking energy: -580.495
Base-Backbone interact. energy: -1.575
local terms energy: -640.749332
where:
bonds (distance) C4'-P energy: -119.793
bonds (distance) P-C4' energy: -124.643
flat angles C4'-P-C4' energy: -133.279
flat angles P-C4'-P energy: -89.636
tors. eta vs tors. theta energy: -173.399
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: 183
Temperature: 1.000000
Total energy: -2033.709603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.709603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.709603 (E_RNA)
where:
Base-Base interactions energy: -1382.713
where: short stacking energy: -573.029
Base-Backbone interact. energy: -3.842
local terms energy: -647.155528
where:
bonds (distance) C4'-P energy: -113.376
bonds (distance) P-C4' energy: -121.996
flat angles C4'-P-C4' energy: -130.775
flat angles P-C4'-P energy: -91.521
tors. eta vs tors. theta energy: -189.487
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: 183
Temperature: 1.050000
Total energy: -1857.252581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.252581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.252581 (E_RNA)
where:
Base-Base interactions energy: -1252.965
where: short stacking energy: -537.690
Base-Backbone interact. energy: -0.497
local terms energy: -603.791018
where:
bonds (distance) C4'-P energy: -114.851
bonds (distance) P-C4' energy: -117.211
flat angles C4'-P-C4' energy: -133.893
flat angles P-C4'-P energy: -83.104
tors. eta vs tors. theta energy: -154.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1701.898467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.898467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.898467 (E_RNA)
where:
Base-Base interactions energy: -1152.638
where: short stacking energy: -456.362
Base-Backbone interact. energy: -1.612
local terms energy: -547.648136
where:
bonds (distance) C4'-P energy: -105.107
bonds (distance) P-C4' energy: -106.605
flat angles C4'-P-C4' energy: -128.518
flat angles P-C4'-P energy: -69.441
tors. eta vs tors. theta energy: -137.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1728.706285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.706285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.706285 (E_RNA)
where:
Base-Base interactions energy: -1169.950
where: short stacking energy: -452.042
Base-Backbone interact. energy: -4.021
local terms energy: -554.734940
where:
bonds (distance) C4'-P energy: -101.131
bonds (distance) P-C4' energy: -118.088
flat angles C4'-P-C4' energy: -122.298
flat angles P-C4'-P energy: -78.932
tors. eta vs tors. theta energy: -134.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1406.017335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.017335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.017335 (E_RNA)
where:
Base-Base interactions energy: -925.491
where: short stacking energy: -404.594
Base-Backbone interact. energy: 3.948
local terms energy: -484.474160
where:
bonds (distance) C4'-P energy: -99.975
bonds (distance) P-C4' energy: -97.780
flat angles C4'-P-C4' energy: -112.601
flat angles P-C4'-P energy: -78.575
tors. eta vs tors. theta energy: -95.543
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: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1003.526430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.526430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.526430 (E_RNA)
where:
Base-Base interactions energy: -579.793
where: short stacking energy: -277.770
Base-Backbone interact. energy: 0.601
local terms energy: -424.334456
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -94.274
flat angles C4'-P-C4' energy: -104.385
flat angles P-C4'-P energy: -66.378
tors. eta vs tors. theta energy: -54.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -689.694917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.694917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.694917 (E_RNA)
where:
Base-Base interactions energy: -328.164
where: short stacking energy: -203.225
Base-Backbone interact. energy: 8.535
local terms energy: -370.066522
where:
bonds (distance) C4'-P energy: -87.859
bonds (distance) P-C4' energy: -114.647
flat angles C4'-P-C4' energy: -100.463
flat angles P-C4'-P energy: -63.334
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: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -459.545630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.545630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.545630 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -116.112
Base-Backbone interact. energy: 2.087
local terms energy: -310.633317
where:
bonds (distance) C4'-P energy: -122.378
bonds (distance) P-C4' energy: -95.088
flat angles C4'-P-C4' energy: -88.309
flat angles P-C4'-P energy: -46.402
tors. eta vs tors. theta energy: 41.544
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: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2310.330111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.330111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.330111 (E_RNA)
where:
Base-Base interactions energy: -1643.697
where: short stacking energy: -641.567
Base-Backbone interact. energy: -1.255
local terms energy: -665.378383
where:
bonds (distance) C4'-P energy: -126.040
bonds (distance) P-C4' energy: -127.836
flat angles C4'-P-C4' energy: -139.730
flat angles P-C4'-P energy: -84.358
tors. eta vs tors. theta energy: -187.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2053.046492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.046492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.046492 (E_RNA)
where:
Base-Base interactions energy: -1413.406
where: short stacking energy: -553.540
Base-Backbone interact. energy: -1.023
local terms energy: -638.618089
where:
bonds (distance) C4'-P energy: -119.039
bonds (distance) P-C4' energy: -116.032
flat angles C4'-P-C4' energy: -136.936
flat angles P-C4'-P energy: -93.025
tors. eta vs tors. theta energy: -173.586
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: 184
Temperature: 1.000000
Total energy: -2018.682688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.682688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.682688 (E_RNA)
where:
Base-Base interactions energy: -1392.766
where: short stacking energy: -584.563
Base-Backbone interact. energy: -2.120
local terms energy: -623.796935
where:
bonds (distance) C4'-P energy: -103.297
bonds (distance) P-C4' energy: -114.811
flat angles C4'-P-C4' energy: -133.826
flat angles P-C4'-P energy: -100.801
tors. eta vs tors. theta energy: -171.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1893.862446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.862446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.862446 (E_RNA)
where:
Base-Base interactions energy: -1285.024
where: short stacking energy: -543.262
Base-Backbone interact. energy: -2.297
local terms energy: -606.540901
where:
bonds (distance) C4'-P energy: -112.224
bonds (distance) P-C4' energy: -116.070
flat angles C4'-P-C4' energy: -136.588
flat angles P-C4'-P energy: -78.404
tors. eta vs tors. theta energy: -163.254
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: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1764.478259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.478259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.478259 (E_RNA)
where:
Base-Base interactions energy: -1224.465
where: short stacking energy: -508.457
Base-Backbone interact. energy: -0.190
local terms energy: -539.823745
where:
bonds (distance) C4'-P energy: -99.467
bonds (distance) P-C4' energy: -86.424
flat angles C4'-P-C4' energy: -108.766
flat angles P-C4'-P energy: -98.441
tors. eta vs tors. theta energy: -146.726
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: 184
Temperature: 1.150000
Total energy: -1661.882974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.882974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.882974 (E_RNA)
where:
Base-Base interactions energy: -1138.618
where: short stacking energy: -493.659
Base-Backbone interact. energy: -0.700
local terms energy: -522.564957
where:
bonds (distance) C4'-P energy: -97.576
bonds (distance) P-C4' energy: -99.086
flat angles C4'-P-C4' energy: -112.534
flat angles P-C4'-P energy: -67.184
tors. eta vs tors. theta energy: -146.186
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: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1390.353441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.353441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.353441 (E_RNA)
where:
Base-Base interactions energy: -871.061
where: short stacking energy: -375.590
Base-Backbone interact. energy: 1.300
local terms energy: -520.592583
where:
bonds (distance) C4'-P energy: -111.313
bonds (distance) P-C4' energy: -116.109
flat angles C4'-P-C4' energy: -123.742
flat angles P-C4'-P energy: -80.324
tors. eta vs tors. theta energy: -89.105
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: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1049.725300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.725300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.725300 (E_RNA)
where:
Base-Base interactions energy: -632.070
where: short stacking energy: -279.085
Base-Backbone interact. energy: 0.846
local terms energy: -418.500918
where:
bonds (distance) C4'-P energy: -97.399
bonds (distance) P-C4' energy: -96.696
flat angles C4'-P-C4' energy: -101.365
flat angles P-C4'-P energy: -68.852
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: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -679.200860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.200860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.200860 (E_RNA)
where:
Base-Base interactions energy: -321.100
where: short stacking energy: -177.596
Base-Backbone interact. energy: -0.006
local terms energy: -358.094934
where:
bonds (distance) C4'-P energy: -94.030
bonds (distance) P-C4' energy: -103.831
flat angles C4'-P-C4' energy: -100.565
flat angles P-C4'-P energy: -45.530
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -454.391071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.391071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.391071 (E_RNA)
where:
Base-Base interactions energy: -110.329
where: short stacking energy: -88.635
Base-Backbone interact. energy: -3.481
local terms energy: -340.581195
where:
bonds (distance) C4'-P energy: -113.311
bonds (distance) P-C4' energy: -119.164
flat angles C4'-P-C4' energy: -68.542
flat angles P-C4'-P energy: -55.368
tors. eta vs tors. theta energy: 15.804
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: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2300.109349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.109349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.109349 (E_RNA)
where:
Base-Base interactions energy: -1634.703
where: short stacking energy: -643.068
Base-Backbone interact. energy: -0.464
local terms energy: -664.942858
where:
bonds (distance) C4'-P energy: -123.149
bonds (distance) P-C4' energy: -135.045
flat angles C4'-P-C4' energy: -143.198
flat angles P-C4'-P energy: -78.690
tors. eta vs tors. theta energy: -184.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2056.672152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.672152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.672152 (E_RNA)
where:
Base-Base interactions energy: -1413.379
where: short stacking energy: -586.237
Base-Backbone interact. energy: -3.184
local terms energy: -640.109330
where:
bonds (distance) C4'-P energy: -116.008
bonds (distance) P-C4' energy: -121.667
flat angles C4'-P-C4' energy: -136.502
flat angles P-C4'-P energy: -95.776
tors. eta vs tors. theta energy: -170.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1996.574822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.574822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.574822 (E_RNA)
where:
Base-Base interactions energy: -1378.415
where: short stacking energy: -563.174
Base-Backbone interact. energy: -0.778
local terms energy: -617.381438
where:
bonds (distance) C4'-P energy: -118.157
bonds (distance) P-C4' energy: -123.295
flat angles C4'-P-C4' energy: -132.397
flat angles P-C4'-P energy: -81.497
tors. eta vs tors. theta energy: -162.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1861.537128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.537128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.537128 (E_RNA)
where:
Base-Base interactions energy: -1250.217
where: short stacking energy: -509.221
Base-Backbone interact. energy: 0.731
local terms energy: -612.050695
where:
bonds (distance) C4'-P energy: -131.386
bonds (distance) P-C4' energy: -113.884
flat angles C4'-P-C4' energy: -129.416
flat angles P-C4'-P energy: -88.374
tors. eta vs tors. theta energy: -148.991
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: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1761.976886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.976886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.976886 (E_RNA)
where:
Base-Base interactions energy: -1203.625
where: short stacking energy: -504.800
Base-Backbone interact. energy: 4.512
local terms energy: -562.864251
where:
bonds (distance) C4'-P energy: -97.223
bonds (distance) P-C4' energy: -120.150
flat angles C4'-P-C4' energy: -123.244
flat angles P-C4'-P energy: -79.976
tors. eta vs tors. theta energy: -142.271
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: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1676.721502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.721502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.721502 (E_RNA)
where:
Base-Base interactions energy: -1146.930
where: short stacking energy: -477.406
Base-Backbone interact. energy: 0.994
local terms energy: -530.785275
where:
bonds (distance) C4'-P energy: -104.493
bonds (distance) P-C4' energy: -112.013
flat angles C4'-P-C4' energy: -121.708
flat angles P-C4'-P energy: -53.970
tors. eta vs tors. theta energy: -138.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1378.901432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.901432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.901432 (E_RNA)
where:
Base-Base interactions energy: -884.178
where: short stacking energy: -388.422
Base-Backbone interact. energy: -2.745
local terms energy: -491.978043
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -117.657
flat angles P-C4'-P energy: -73.834
tors. eta vs tors. theta energy: -86.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1062.007052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.007052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.007052 (E_RNA)
where:
Base-Base interactions energy: -659.550
where: short stacking energy: -308.111
Base-Backbone interact. energy: 5.139
local terms energy: -407.595438
where:
bonds (distance) C4'-P energy: -98.655
bonds (distance) P-C4' energy: -99.867
flat angles C4'-P-C4' energy: -92.270
flat angles P-C4'-P energy: -53.408
tors. eta vs tors. theta energy: -63.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -727.638988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.638988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.638988 (E_RNA)
where:
Base-Base interactions energy: -367.516
where: short stacking energy: -172.386
Base-Backbone interact. energy: 2.485
local terms energy: -362.608036
where:
bonds (distance) C4'-P energy: -110.887
bonds (distance) P-C4' energy: -98.401
flat angles C4'-P-C4' energy: -98.834
flat angles P-C4'-P energy: -51.331
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -430.980183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.980183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.980183 (E_RNA)
where:
Base-Base interactions energy: -123.589
where: short stacking energy: -80.147
Base-Backbone interact. energy: -2.435
local terms energy: -304.956870
where:
bonds (distance) C4'-P energy: -97.310
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -86.879
flat angles P-C4'-P energy: -49.740
tors. eta vs tors. theta energy: 39.377
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: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2289.250442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.250442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.250442 (E_RNA)
where:
Base-Base interactions energy: -1630.284
where: short stacking energy: -629.891
Base-Backbone interact. energy: 5.198
local terms energy: -664.163664
where:
bonds (distance) C4'-P energy: -110.754
bonds (distance) P-C4' energy: -115.721
flat angles C4'-P-C4' energy: -154.856
flat angles P-C4'-P energy: -98.822
tors. eta vs tors. theta energy: -184.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2073.656039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.656039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.656039 (E_RNA)
where:
Base-Base interactions energy: -1408.198
where: short stacking energy: -558.049
Base-Backbone interact. energy: -4.028
local terms energy: -661.430254
where:
bonds (distance) C4'-P energy: -134.544
bonds (distance) P-C4' energy: -123.693
flat angles C4'-P-C4' energy: -145.636
flat angles P-C4'-P energy: -88.298
tors. eta vs tors. theta energy: -169.258
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2032.108211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.108211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.108211 (E_RNA)
where:
Base-Base interactions energy: -1391.079
where: short stacking energy: -576.023
Base-Backbone interact. energy: 6.355
local terms energy: -647.384618
where:
bonds (distance) C4'-P energy: -126.068
bonds (distance) P-C4' energy: -119.942
flat angles C4'-P-C4' energy: -133.422
flat angles P-C4'-P energy: -90.608
tors. eta vs tors. theta energy: -177.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1866.662346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.662346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.662346 (E_RNA)
where:
Base-Base interactions energy: -1280.207
where: short stacking energy: -501.325
Base-Backbone interact. energy: 2.939
local terms energy: -589.394639
where:
bonds (distance) C4'-P energy: -111.142
bonds (distance) P-C4' energy: -111.744
flat angles C4'-P-C4' energy: -134.559
flat angles P-C4'-P energy: -82.220
tors. eta vs tors. theta energy: -149.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1778.959310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.959310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.959310 (E_RNA)
where:
Base-Base interactions energy: -1200.648
where: short stacking energy: -509.998
Base-Backbone interact. energy: -0.243
local terms energy: -578.068470
where:
bonds (distance) C4'-P energy: -111.141
bonds (distance) P-C4' energy: -106.601
flat angles C4'-P-C4' energy: -149.384
flat angles P-C4'-P energy: -62.299
tors. eta vs tors. theta energy: -148.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1668.929138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.929138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.929138 (E_RNA)
where:
Base-Base interactions energy: -1138.218
where: short stacking energy: -453.012
Base-Backbone interact. energy: -3.295
local terms energy: -527.415708
where:
bonds (distance) C4'-P energy: -101.250
bonds (distance) P-C4' energy: -107.643
flat angles C4'-P-C4' energy: -119.992
flat angles P-C4'-P energy: -73.266
tors. eta vs tors. theta energy: -125.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1377.021554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.021554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.021554 (E_RNA)
where:
Base-Base interactions energy: -897.983
where: short stacking energy: -373.587
Base-Backbone interact. energy: -1.711
local terms energy: -477.327691
where:
bonds (distance) C4'-P energy: -90.911
bonds (distance) P-C4' energy: -109.292
flat angles C4'-P-C4' energy: -121.260
flat angles P-C4'-P energy: -72.797
tors. eta vs tors. theta energy: -83.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1176.034755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.034755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.034755 (E_RNA)
where:
Base-Base interactions energy: -703.719
where: short stacking energy: -347.786
Base-Backbone interact. energy: -1.615
local terms energy: -470.700729
where:
bonds (distance) C4'-P energy: -103.620
bonds (distance) P-C4' energy: -118.403
flat angles C4'-P-C4' energy: -103.958
flat angles P-C4'-P energy: -75.126
tors. eta vs tors. theta energy: -69.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -780.062659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.062659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.062659 (E_RNA)
where:
Base-Base interactions energy: -430.262
where: short stacking energy: -236.310
Base-Backbone interact. energy: 4.936
local terms energy: -354.736565
where:
bonds (distance) C4'-P energy: -104.616
bonds (distance) P-C4' energy: -100.995
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -55.511
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -449.988925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.988925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.988925 (E_RNA)
where:
Base-Base interactions energy: -146.671
where: short stacking energy: -107.999
Base-Backbone interact. energy: 9.356
local terms energy: -312.674271
where:
bonds (distance) C4'-P energy: -99.878
bonds (distance) P-C4' energy: -100.871
flat angles C4'-P-C4' energy: -93.587
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: 20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2277.518995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.518995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.518995 (E_RNA)
where:
Base-Base interactions energy: -1593.626
where: short stacking energy: -626.250
Base-Backbone interact. energy: -1.590
local terms energy: -682.303411
where:
bonds (distance) C4'-P energy: -117.031
bonds (distance) P-C4' energy: -141.594
flat angles C4'-P-C4' energy: -149.078
flat angles P-C4'-P energy: -87.904
tors. eta vs tors. theta energy: -186.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2076.707321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.707321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.707321 (E_RNA)
where:
Base-Base interactions energy: -1431.767
where: short stacking energy: -575.748
Base-Backbone interact. energy: 3.502
local terms energy: -648.441649
where:
bonds (distance) C4'-P energy: -117.144
bonds (distance) P-C4' energy: -125.354
flat angles C4'-P-C4' energy: -142.016
flat angles P-C4'-P energy: -83.092
tors. eta vs tors. theta energy: -180.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2043.631156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.631156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.631156 (E_RNA)
where:
Base-Base interactions energy: -1395.875
where: short stacking energy: -561.805
Base-Backbone interact. energy: 3.716
local terms energy: -651.471965
where:
bonds (distance) C4'-P energy: -110.299
bonds (distance) P-C4' energy: -126.630
flat angles C4'-P-C4' energy: -133.545
flat angles P-C4'-P energy: -103.360
tors. eta vs tors. theta energy: -177.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1864.798546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.798546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.798546 (E_RNA)
where:
Base-Base interactions energy: -1275.692
where: short stacking energy: -509.873
Base-Backbone interact. energy: -0.718
local terms energy: -588.388445
where:
bonds (distance) C4'-P energy: -112.192
bonds (distance) P-C4' energy: -117.779
flat angles C4'-P-C4' energy: -140.328
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -138.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1798.742239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.742239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.742239 (E_RNA)
where:
Base-Base interactions energy: -1207.091
where: short stacking energy: -499.871
Base-Backbone interact. energy: -3.143
local terms energy: -588.508516
where:
bonds (distance) C4'-P energy: -100.245
bonds (distance) P-C4' energy: -114.076
flat angles C4'-P-C4' energy: -138.845
flat angles P-C4'-P energy: -86.245
tors. eta vs tors. theta energy: -149.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1707.535204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.535204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.535204 (E_RNA)
where:
Base-Base interactions energy: -1159.912
where: short stacking energy: -494.570
Base-Backbone interact. energy: -1.988
local terms energy: -545.635301
where:
bonds (distance) C4'-P energy: -108.953
bonds (distance) P-C4' energy: -101.572
flat angles C4'-P-C4' energy: -126.011
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: -145.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1386.859411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.859411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.859411 (E_RNA)
where:
Base-Base interactions energy: -895.993
where: short stacking energy: -387.823
Base-Backbone interact. energy: -1.345
local terms energy: -489.521428
where:
bonds (distance) C4'-P energy: -106.830
bonds (distance) P-C4' energy: -108.769
flat angles C4'-P-C4' energy: -114.895
flat angles P-C4'-P energy: -65.259
tors. eta vs tors. theta energy: -93.769
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: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1114.852758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.852758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.852758 (E_RNA)
where:
Base-Base interactions energy: -661.489
where: short stacking energy: -335.549
Base-Backbone interact. energy: 0.708
local terms energy: -454.071695
where:
bonds (distance) C4'-P energy: -109.657
bonds (distance) P-C4' energy: -103.369
flat angles C4'-P-C4' energy: -119.961
flat angles P-C4'-P energy: -65.749
tors. eta vs tors. theta energy: -55.337
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: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -663.219107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.219107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.219107 (E_RNA)
where:
Base-Base interactions energy: -314.515
where: short stacking energy: -164.279
Base-Backbone interact. energy: 0.257
local terms energy: -348.960930
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -100.670
flat angles C4'-P-C4' energy: -84.364
flat angles P-C4'-P energy: -63.756
tors. eta vs tors. theta energy: 3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -445.651331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.651331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.651331 (E_RNA)
where:
Base-Base interactions energy: -136.886
where: short stacking energy: -117.375
Base-Backbone interact. energy: -0.177
local terms energy: -308.588079
where:
bonds (distance) C4'-P energy: -102.915
bonds (distance) P-C4' energy: -118.075
flat angles C4'-P-C4' energy: -86.328
flat angles P-C4'-P energy: -29.155
tors. eta vs tors. theta energy: 27.885
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: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2301.994236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.994236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.994236 (E_RNA)
where:
Base-Base interactions energy: -1639.088
where: short stacking energy: -641.456
Base-Backbone interact. energy: -0.351
local terms energy: -662.555465
where:
bonds (distance) C4'-P energy: -120.873
bonds (distance) P-C4' energy: -127.180
flat angles C4'-P-C4' energy: -139.118
flat angles P-C4'-P energy: -96.534
tors. eta vs tors. theta energy: -178.851
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: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2064.753618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.753618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.753618 (E_RNA)
where:
Base-Base interactions energy: -1404.235
where: short stacking energy: -587.701
Base-Backbone interact. energy: 1.950
local terms energy: -662.468626
where:
bonds (distance) C4'-P energy: -122.063
bonds (distance) P-C4' energy: -127.298
flat angles C4'-P-C4' energy: -139.245
flat angles P-C4'-P energy: -92.594
tors. eta vs tors. theta energy: -181.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2033.093650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.093650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.093650 (E_RNA)
where:
Base-Base interactions energy: -1391.839
where: short stacking energy: -559.729
Base-Backbone interact. energy: -1.639
local terms energy: -639.615823
where:
bonds (distance) C4'-P energy: -119.066
bonds (distance) P-C4' energy: -118.790
flat angles C4'-P-C4' energy: -131.357
flat angles P-C4'-P energy: -89.481
tors. eta vs tors. theta energy: -180.921
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: 188
Temperature: 1.050000
Total energy: -1834.194646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.194646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.194646 (E_RNA)
where:
Base-Base interactions energy: -1239.393
where: short stacking energy: -515.010
Base-Backbone interact. energy: 0.414
local terms energy: -595.215556
where:
bonds (distance) C4'-P energy: -115.461
bonds (distance) P-C4' energy: -101.001
flat angles C4'-P-C4' energy: -139.304
flat angles P-C4'-P energy: -90.960
tors. eta vs tors. theta energy: -148.490
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: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1766.492257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.492257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.492257 (E_RNA)
where:
Base-Base interactions energy: -1171.465
where: short stacking energy: -471.981
Base-Backbone interact. energy: -2.800
local terms energy: -592.227613
where:
bonds (distance) C4'-P energy: -121.413
bonds (distance) P-C4' energy: -118.904
flat angles C4'-P-C4' energy: -120.450
flat angles P-C4'-P energy: -83.717
tors. eta vs tors. theta energy: -147.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1745.028298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.028298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.028298 (E_RNA)
where:
Base-Base interactions energy: -1200.451
where: short stacking energy: -491.280
Base-Backbone interact. energy: 1.637
local terms energy: -546.213852
where:
bonds (distance) C4'-P energy: -108.431
bonds (distance) P-C4' energy: -115.748
flat angles C4'-P-C4' energy: -123.243
flat angles P-C4'-P energy: -67.590
tors. eta vs tors. theta energy: -131.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1345.109646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.109646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.109646 (E_RNA)
where:
Base-Base interactions energy: -840.783
where: short stacking energy: -370.042
Base-Backbone interact. energy: 2.165
local terms energy: -506.491699
where:
bonds (distance) C4'-P energy: -98.617
bonds (distance) P-C4' energy: -120.271
flat angles C4'-P-C4' energy: -119.537
flat angles P-C4'-P energy: -76.253
tors. eta vs tors. theta energy: -91.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1031.187297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.187297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.187297 (E_RNA)
where:
Base-Base interactions energy: -604.486
where: short stacking energy: -326.081
Base-Backbone interact. energy: -1.121
local terms energy: -425.579900
where:
bonds (distance) C4'-P energy: -96.267
bonds (distance) P-C4' energy: -100.673
flat angles C4'-P-C4' energy: -108.016
flat angles P-C4'-P energy: -52.877
tors. eta vs tors. theta energy: -67.747
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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -646.216159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.216159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.216159 (E_RNA)
where:
Base-Base interactions energy: -271.544
where: short stacking energy: -160.194
Base-Backbone interact. energy: 1.676
local terms energy: -376.348699
where:
bonds (distance) C4'-P energy: -113.756
bonds (distance) P-C4' energy: -111.331
flat angles C4'-P-C4' energy: -86.498
flat angles P-C4'-P energy: -66.342
tors. eta vs tors. theta energy: 1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -470.536758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.536758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.536758 (E_RNA)
where:
Base-Base interactions energy: -154.641
where: short stacking energy: -105.155
Base-Backbone interact. energy: 2.306
local terms energy: -318.202540
where:
bonds (distance) C4'-P energy: -90.688
bonds (distance) P-C4' energy: -117.367
flat angles C4'-P-C4' energy: -88.514
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: 19.380
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: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2287.448677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.448677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.448677 (E_RNA)
where:
Base-Base interactions energy: -1627.244
where: short stacking energy: -631.416
Base-Backbone interact. energy: -1.971
local terms energy: -658.233101
where:
bonds (distance) C4'-P energy: -121.753
bonds (distance) P-C4' energy: -118.748
flat angles C4'-P-C4' energy: -141.856
flat angles P-C4'-P energy: -97.699
tors. eta vs tors. theta energy: -178.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2135.159578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.159578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.159578 (E_RNA)
where:
Base-Base interactions energy: -1446.327
where: short stacking energy: -580.158
Base-Backbone interact. energy: -2.160
local terms energy: -686.671916
where:
bonds (distance) C4'-P energy: -119.215
bonds (distance) P-C4' energy: -134.231
flat angles C4'-P-C4' energy: -145.527
flat angles P-C4'-P energy: -92.892
tors. eta vs tors. theta energy: -194.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2040.107987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.107987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.107987 (E_RNA)
where:
Base-Base interactions energy: -1413.195
where: short stacking energy: -579.922
Base-Backbone interact. energy: -1.426
local terms energy: -625.486410
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -113.474
flat angles C4'-P-C4' energy: -139.043
flat angles P-C4'-P energy: -93.053
tors. eta vs tors. theta energy: -167.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1851.801796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.801796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.801796 (E_RNA)
where:
Base-Base interactions energy: -1243.031
where: short stacking energy: -523.144
Base-Backbone interact. energy: -2.822
local terms energy: -605.948636
where:
bonds (distance) C4'-P energy: -121.183
bonds (distance) P-C4' energy: -110.991
flat angles C4'-P-C4' energy: -133.446
flat angles P-C4'-P energy: -88.616
tors. eta vs tors. theta energy: -151.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1820.989688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.989688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.989688 (E_RNA)
where:
Base-Base interactions energy: -1239.316
where: short stacking energy: -508.047
Base-Backbone interact. energy: -1.739
local terms energy: -579.934541
where:
bonds (distance) C4'-P energy: -103.981
bonds (distance) P-C4' energy: -121.280
flat angles C4'-P-C4' energy: -136.832
flat angles P-C4'-P energy: -76.924
tors. eta vs tors. theta energy: -140.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1702.061013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.061013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.061013 (E_RNA)
where:
Base-Base interactions energy: -1174.183
where: short stacking energy: -477.910
Base-Backbone interact. energy: -0.780
local terms energy: -527.097935
where:
bonds (distance) C4'-P energy: -111.880
bonds (distance) P-C4' energy: -110.987
flat angles C4'-P-C4' energy: -113.592
flat angles P-C4'-P energy: -66.797
tors. eta vs tors. theta energy: -123.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1401.805930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.805930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.805930 (E_RNA)
where:
Base-Base interactions energy: -887.570
where: short stacking energy: -387.644
Base-Backbone interact. energy: -1.700
local terms energy: -512.536864
where:
bonds (distance) C4'-P energy: -111.044
bonds (distance) P-C4' energy: -103.443
flat angles C4'-P-C4' energy: -128.031
flat angles P-C4'-P energy: -68.165
tors. eta vs tors. theta energy: -101.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1006.195805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.195805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.195805 (E_RNA)
where:
Base-Base interactions energy: -607.385
where: short stacking energy: -271.110
Base-Backbone interact. energy: 4.475
local terms energy: -403.286060
where:
bonds (distance) C4'-P energy: -97.437
bonds (distance) P-C4' energy: -102.670
flat angles C4'-P-C4' energy: -99.664
flat angles P-C4'-P energy: -62.773
tors. eta vs tors. theta energy: -40.742
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: 189
Temperature: 1.300000
Total energy: -608.039894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.039894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.039894 (E_RNA)
where:
Base-Base interactions energy: -272.185
where: short stacking energy: -174.473
Base-Backbone interact. energy: 1.844
local terms energy: -337.698543
where:
bonds (distance) C4'-P energy: -96.487
bonds (distance) P-C4' energy: -114.874
flat angles C4'-P-C4' energy: -97.057
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: 9.604
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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -451.567654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.567654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.567654 (E_RNA)
where:
Base-Base interactions energy: -133.548
where: short stacking energy: -117.539
Base-Backbone interact. energy: -2.070
local terms energy: -315.949255
where:
bonds (distance) C4'-P energy: -84.014
bonds (distance) P-C4' energy: -107.263
flat angles C4'-P-C4' energy: -91.526
flat angles P-C4'-P energy: -54.466
tors. eta vs tors. theta energy: 21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2281.159403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.159403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.159403 (E_RNA)
where:
Base-Base interactions energy: -1602.158
where: short stacking energy: -635.074
Base-Backbone interact. energy: -0.982
local terms energy: -678.019165
where:
bonds (distance) C4'-P energy: -125.058
bonds (distance) P-C4' energy: -123.234
flat angles C4'-P-C4' energy: -149.495
flat angles P-C4'-P energy: -97.900
tors. eta vs tors. theta energy: -182.333
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: 190
Temperature: 0.950000
Total energy: -2152.984839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.984839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.984839 (E_RNA)
where:
Base-Base interactions energy: -1504.670
where: short stacking energy: -591.437
Base-Backbone interact. energy: -0.747
local terms energy: -647.568312
where:
bonds (distance) C4'-P energy: -118.586
bonds (distance) P-C4' energy: -118.173
flat angles C4'-P-C4' energy: -137.520
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -189.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2072.470139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.470139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.470139 (E_RNA)
where:
Base-Base interactions energy: -1409.351
where: short stacking energy: -587.710
Base-Backbone interact. energy: -2.355
local terms energy: -660.764381
where:
bonds (distance) C4'-P energy: -124.003
bonds (distance) P-C4' energy: -116.432
flat angles C4'-P-C4' energy: -149.605
flat angles P-C4'-P energy: -92.744
tors. eta vs tors. theta energy: -177.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1879.702791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.702791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.702791 (E_RNA)
where:
Base-Base interactions energy: -1307.880
where: short stacking energy: -529.522
Base-Backbone interact. energy: -3.070
local terms energy: -568.752690
where:
bonds (distance) C4'-P energy: -106.911
bonds (distance) P-C4' energy: -120.316
flat angles C4'-P-C4' energy: -127.510
flat angles P-C4'-P energy: -71.515
tors. eta vs tors. theta energy: -142.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1835.420765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.420765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.420765 (E_RNA)
where:
Base-Base interactions energy: -1236.341
where: short stacking energy: -515.509
Base-Backbone interact. energy: 3.247
local terms energy: -602.327289
where:
bonds (distance) C4'-P energy: -117.749
bonds (distance) P-C4' energy: -123.049
flat angles C4'-P-C4' energy: -117.974
flat angles P-C4'-P energy: -94.704
tors. eta vs tors. theta energy: -148.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1700.237114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.237114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.237114 (E_RNA)
where:
Base-Base interactions energy: -1152.949
where: short stacking energy: -472.810
Base-Backbone interact. energy: -2.138
local terms energy: -545.149627
where:
bonds (distance) C4'-P energy: -115.136
bonds (distance) P-C4' energy: -110.699
flat angles C4'-P-C4' energy: -117.463
flat angles P-C4'-P energy: -75.091
tors. eta vs tors. theta energy: -126.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1396.970758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.970758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.970758 (E_RNA)
where:
Base-Base interactions energy: -928.528
where: short stacking energy: -394.582
Base-Backbone interact. energy: 1.112
local terms energy: -469.554555
where:
bonds (distance) C4'-P energy: -102.431
bonds (distance) P-C4' energy: -93.553
flat angles C4'-P-C4' energy: -98.949
flat angles P-C4'-P energy: -85.627
tors. eta vs tors. theta energy: -88.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1030.949086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.949086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.949086 (E_RNA)
where:
Base-Base interactions energy: -607.945
where: short stacking energy: -292.730
Base-Backbone interact. energy: 0.541
local terms energy: -423.545643
where:
bonds (distance) C4'-P energy: -112.672
bonds (distance) P-C4' energy: -109.354
flat angles C4'-P-C4' energy: -104.521
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -41.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -648.128265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.128265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.128265 (E_RNA)
where:
Base-Base interactions energy: -295.065
where: short stacking energy: -184.200
Base-Backbone interact. energy: 0.435
local terms energy: -353.498164
where:
bonds (distance) C4'-P energy: -98.564
bonds (distance) P-C4' energy: -102.894
flat angles C4'-P-C4' energy: -99.178
flat angles P-C4'-P energy: -44.935
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: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -445.130047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.130047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.130047 (E_RNA)
where:
Base-Base interactions energy: -143.277
where: short stacking energy: -117.649
Base-Backbone interact. energy: 2.367
local terms energy: -304.220124
where:
bonds (distance) C4'-P energy: -94.061
bonds (distance) P-C4' energy: -112.482
flat angles C4'-P-C4' energy: -81.614
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: 34.342
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: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2293.831579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.831579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.831579 (E_RNA)
where:
Base-Base interactions energy: -1633.062
where: short stacking energy: -633.513
Base-Backbone interact. energy: -2.454
local terms energy: -658.315605
where:
bonds (distance) C4'-P energy: -124.631
bonds (distance) P-C4' energy: -124.330
flat angles C4'-P-C4' energy: -127.380
flat angles P-C4'-P energy: -98.027
tors. eta vs tors. theta energy: -183.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2176.978842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.978842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.978842 (E_RNA)
where:
Base-Base interactions energy: -1506.394
where: short stacking energy: -577.355
Base-Backbone interact. energy: -0.677
local terms energy: -669.907539
where:
bonds (distance) C4'-P energy: -120.700
bonds (distance) P-C4' energy: -132.555
flat angles C4'-P-C4' energy: -136.390
flat angles P-C4'-P energy: -94.734
tors. eta vs tors. theta energy: -185.528
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: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2024.460647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.460647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.460647 (E_RNA)
where:
Base-Base interactions energy: -1390.146
where: short stacking energy: -559.527
Base-Backbone interact. energy: 2.727
local terms energy: -637.040706
where:
bonds (distance) C4'-P energy: -115.620
bonds (distance) P-C4' energy: -109.892
flat angles C4'-P-C4' energy: -135.406
flat angles P-C4'-P energy: -93.708
tors. eta vs tors. theta energy: -182.416
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: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1876.813322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.813322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.813322 (E_RNA)
where:
Base-Base interactions energy: -1273.122
where: short stacking energy: -517.440
Base-Backbone interact. energy: -1.407
local terms energy: -602.284014
where:
bonds (distance) C4'-P energy: -102.970
bonds (distance) P-C4' energy: -122.462
flat angles C4'-P-C4' energy: -137.570
flat angles P-C4'-P energy: -102.632
tors. eta vs tors. theta energy: -136.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1809.292641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.292641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.292641 (E_RNA)
where:
Base-Base interactions energy: -1203.551
where: short stacking energy: -487.238
Base-Backbone interact. energy: -0.721
local terms energy: -605.019968
where:
bonds (distance) C4'-P energy: -124.338
bonds (distance) P-C4' energy: -111.617
flat angles C4'-P-C4' energy: -135.452
flat angles P-C4'-P energy: -85.972
tors. eta vs tors. theta energy: -147.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1724.866966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.866966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.866966 (E_RNA)
where:
Base-Base interactions energy: -1180.592
where: short stacking energy: -483.639
Base-Backbone interact. energy: 4.010
local terms energy: -548.284596
where:
bonds (distance) C4'-P energy: -103.970
bonds (distance) P-C4' energy: -105.470
flat angles C4'-P-C4' energy: -133.157
flat angles P-C4'-P energy: -73.405
tors. eta vs tors. theta energy: -132.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1389.721004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.721004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.721004 (E_RNA)
where:
Base-Base interactions energy: -920.265
where: short stacking energy: -377.681
Base-Backbone interact. energy: -1.668
local terms energy: -467.788753
where:
bonds (distance) C4'-P energy: -89.954
bonds (distance) P-C4' energy: -86.614
flat angles C4'-P-C4' energy: -113.307
flat angles P-C4'-P energy: -77.405
tors. eta vs tors. theta energy: -100.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1047.612904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.612904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.612904 (E_RNA)
where:
Base-Base interactions energy: -651.012
where: short stacking energy: -304.673
Base-Backbone interact. energy: 0.463
local terms energy: -397.064378
where:
bonds (distance) C4'-P energy: -84.501
bonds (distance) P-C4' energy: -111.138
flat angles C4'-P-C4' energy: -89.563
flat angles P-C4'-P energy: -56.156
tors. eta vs tors. theta energy: -55.707
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: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -697.895867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.895867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.895867 (E_RNA)
where:
Base-Base interactions energy: -339.766
where: short stacking energy: -190.214
Base-Backbone interact. energy: 4.531
local terms energy: -362.659990
where:
bonds (distance) C4'-P energy: -98.769
bonds (distance) P-C4' energy: -104.162
flat angles C4'-P-C4' energy: -95.288
flat angles P-C4'-P energy: -66.943
tors. eta vs tors. theta energy: 2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -457.771682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.771682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.771682 (E_RNA)
where:
Base-Base interactions energy: -157.692
where: short stacking energy: -115.148
Base-Backbone interact. energy: -1.871
local terms energy: -298.208912
where:
bonds (distance) C4'-P energy: -121.147
bonds (distance) P-C4' energy: -105.937
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: 34.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2283.861446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.861446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.861446 (E_RNA)
where:
Base-Base interactions energy: -1608.895
where: short stacking energy: -628.289
Base-Backbone interact. energy: -1.577
local terms energy: -673.389373
where:
bonds (distance) C4'-P energy: -121.533
bonds (distance) P-C4' energy: -134.155
flat angles C4'-P-C4' energy: -146.067
flat angles P-C4'-P energy: -90.343
tors. eta vs tors. theta energy: -181.291
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: 192
Temperature: 0.950000
Total energy: -2167.643387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.643387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.643387 (E_RNA)
where:
Base-Base interactions energy: -1501.104
where: short stacking energy: -586.043
Base-Backbone interact. energy: -0.596
local terms energy: -665.944224
where:
bonds (distance) C4'-P energy: -126.006
bonds (distance) P-C4' energy: -126.335
flat angles C4'-P-C4' energy: -145.310
flat angles P-C4'-P energy: -91.428
tors. eta vs tors. theta energy: -176.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2025.775558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.775558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.775558 (E_RNA)
where:
Base-Base interactions energy: -1405.678
where: short stacking energy: -594.833
Base-Backbone interact. energy: -0.905
local terms energy: -619.193028
where:
bonds (distance) C4'-P energy: -118.846
bonds (distance) P-C4' energy: -115.219
flat angles C4'-P-C4' energy: -131.411
flat angles P-C4'-P energy: -83.753
tors. eta vs tors. theta energy: -169.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1872.070604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.070604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.070604 (E_RNA)
where:
Base-Base interactions energy: -1258.165
where: short stacking energy: -505.692
Base-Backbone interact. energy: -3.091
local terms energy: -610.814704
where:
bonds (distance) C4'-P energy: -114.756
bonds (distance) P-C4' energy: -128.221
flat angles C4'-P-C4' energy: -136.536
flat angles P-C4'-P energy: -88.931
tors. eta vs tors. theta energy: -142.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1747.240276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.240276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.240276 (E_RNA)
where:
Base-Base interactions energy: -1207.884
where: short stacking energy: -485.623
Base-Backbone interact. energy: 0.163
local terms energy: -539.519344
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -115.512
flat angles C4'-P-C4' energy: -119.596
flat angles P-C4'-P energy: -68.530
tors. eta vs tors. theta energy: -136.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1785.539165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.539165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.539165 (E_RNA)
where:
Base-Base interactions energy: -1224.185
where: short stacking energy: -493.293
Base-Backbone interact. energy: -4.024
local terms energy: -557.330185
where:
bonds (distance) C4'-P energy: -113.577
bonds (distance) P-C4' energy: -106.658
flat angles C4'-P-C4' energy: -128.015
flat angles P-C4'-P energy: -64.201
tors. eta vs tors. theta energy: -144.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1417.288059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.288059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.288059 (E_RNA)
where:
Base-Base interactions energy: -923.986
where: short stacking energy: -399.107
Base-Backbone interact. energy: -0.620
local terms energy: -492.682077
where:
bonds (distance) C4'-P energy: -103.142
bonds (distance) P-C4' energy: -96.842
flat angles C4'-P-C4' energy: -119.561
flat angles P-C4'-P energy: -78.847
tors. eta vs tors. theta energy: -94.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1136.049580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.049580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.049580 (E_RNA)
where:
Base-Base interactions energy: -679.290
where: short stacking energy: -315.978
Base-Backbone interact. energy: -0.409
local terms energy: -456.350249
where:
bonds (distance) C4'-P energy: -110.774
bonds (distance) P-C4' energy: -97.165
flat angles C4'-P-C4' energy: -110.553
flat angles P-C4'-P energy: -65.907
tors. eta vs tors. theta energy: -71.951
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: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -724.679729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.679729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.679729 (E_RNA)
where:
Base-Base interactions energy: -345.778
where: short stacking energy: -180.012
Base-Backbone interact. energy: -2.671
local terms energy: -376.230049
where:
bonds (distance) C4'-P energy: -104.461
bonds (distance) P-C4' energy: -114.509
flat angles C4'-P-C4' energy: -103.518
flat angles P-C4'-P energy: -54.392
tors. eta vs tors. theta energy: 0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -464.770818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.770818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.770818 (E_RNA)
where:
Base-Base interactions energy: -160.347
where: short stacking energy: -136.915
Base-Backbone interact. energy: -0.932
local terms energy: -303.491782
where:
bonds (distance) C4'-P energy: -85.431
bonds (distance) P-C4' energy: -106.336
flat angles C4'-P-C4' energy: -82.376
flat angles P-C4'-P energy: -45.770
tors. eta vs tors. theta energy: 16.421
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: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2295.322025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.322025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.322025 (E_RNA)
where:
Base-Base interactions energy: -1609.445
where: short stacking energy: -629.523
Base-Backbone interact. energy: -1.107
local terms energy: -684.769970
where:
bonds (distance) C4'-P energy: -123.490
bonds (distance) P-C4' energy: -123.865
flat angles C4'-P-C4' energy: -148.977
flat angles P-C4'-P energy: -95.900
tors. eta vs tors. theta energy: -192.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2170.628871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.628871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.628871 (E_RNA)
where:
Base-Base interactions energy: -1506.094
where: short stacking energy: -604.069
Base-Backbone interact. energy: -1.343
local terms energy: -663.192147
where:
bonds (distance) C4'-P energy: -111.007
bonds (distance) P-C4' energy: -125.161
flat angles C4'-P-C4' energy: -140.104
flat angles P-C4'-P energy: -96.140
tors. eta vs tors. theta energy: -190.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2000.245563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.245563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.245563 (E_RNA)
where:
Base-Base interactions energy: -1374.280
where: short stacking energy: -569.361
Base-Backbone interact. energy: -2.625
local terms energy: -623.340505
where:
bonds (distance) C4'-P energy: -120.862
bonds (distance) P-C4' energy: -107.953
flat angles C4'-P-C4' energy: -134.867
flat angles P-C4'-P energy: -91.302
tors. eta vs tors. theta energy: -168.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1885.755271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.755271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.755271 (E_RNA)
where:
Base-Base interactions energy: -1274.698
where: short stacking energy: -539.713
Base-Backbone interact. energy: -2.380
local terms energy: -608.676782
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -115.548
flat angles C4'-P-C4' energy: -127.653
flat angles P-C4'-P energy: -97.104
tors. eta vs tors. theta energy: -168.913
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: 193
Temperature: 1.100000
Total energy: -1787.500098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.500098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.500098 (E_RNA)
where:
Base-Base interactions energy: -1217.415
where: short stacking energy: -516.754
Base-Backbone interact. energy: -1.136
local terms energy: -568.949058
where:
bonds (distance) C4'-P energy: -108.069
bonds (distance) P-C4' energy: -99.479
flat angles C4'-P-C4' energy: -129.631
flat angles P-C4'-P energy: -78.992
tors. eta vs tors. theta energy: -152.778
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: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1722.879247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.879247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.879247 (E_RNA)
where:
Base-Base interactions energy: -1212.775
where: short stacking energy: -455.714
Base-Backbone interact. energy: -0.429
local terms energy: -509.675179
where:
bonds (distance) C4'-P energy: -108.390
bonds (distance) P-C4' energy: -111.532
flat angles C4'-P-C4' energy: -107.045
flat angles P-C4'-P energy: -72.760
tors. eta vs tors. theta energy: -109.948
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: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1446.554641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.554641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.554641 (E_RNA)
where:
Base-Base interactions energy: -954.954
where: short stacking energy: -395.108
Base-Backbone interact. energy: 3.375
local terms energy: -494.975678
where:
bonds (distance) C4'-P energy: -92.928
bonds (distance) P-C4' energy: -108.690
flat angles C4'-P-C4' energy: -107.424
flat angles P-C4'-P energy: -80.156
tors. eta vs tors. theta energy: -105.778
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: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1084.089663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.089663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.089663 (E_RNA)
where:
Base-Base interactions energy: -641.063
where: short stacking energy: -289.941
Base-Backbone interact. energy: -1.278
local terms energy: -441.748655
where:
bonds (distance) C4'-P energy: -114.887
bonds (distance) P-C4' energy: -110.268
flat angles C4'-P-C4' energy: -100.279
flat angles P-C4'-P energy: -58.541
tors. eta vs tors. theta energy: -57.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -692.030223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.030223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.030223 (E_RNA)
where:
Base-Base interactions energy: -334.354
where: short stacking energy: -189.473
Base-Backbone interact. energy: -0.066
local terms energy: -357.610204
where:
bonds (distance) C4'-P energy: -95.499
bonds (distance) P-C4' energy: -106.110
flat angles C4'-P-C4' energy: -102.000
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -447.445280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.445280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.445280 (E_RNA)
where:
Base-Base interactions energy: -130.612
where: short stacking energy: -102.042
Base-Backbone interact. energy: -0.587
local terms energy: -316.247001
where:
bonds (distance) C4'-P energy: -93.281
bonds (distance) P-C4' energy: -103.680
flat angles C4'-P-C4' energy: -83.331
flat angles P-C4'-P energy: -58.472
tors. eta vs tors. theta energy: 22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2298.275271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.275271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.275271 (E_RNA)
where:
Base-Base interactions energy: -1633.496
where: short stacking energy: -642.567
Base-Backbone interact. energy: 11.886
local terms energy: -676.666061
where:
bonds (distance) C4'-P energy: -129.101
bonds (distance) P-C4' energy: -119.355
flat angles C4'-P-C4' energy: -140.869
flat angles P-C4'-P energy: -99.620
tors. eta vs tors. theta energy: -187.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2165.056072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.056072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.056072 (E_RNA)
where:
Base-Base interactions energy: -1485.978
where: short stacking energy: -595.649
Base-Backbone interact. energy: -2.333
local terms energy: -676.745867
where:
bonds (distance) C4'-P energy: -126.301
bonds (distance) P-C4' energy: -108.920
flat angles C4'-P-C4' energy: -144.376
flat angles P-C4'-P energy: -104.756
tors. eta vs tors. theta energy: -192.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2011.470876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.470876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.470876 (E_RNA)
where:
Base-Base interactions energy: -1383.899
where: short stacking energy: -562.471
Base-Backbone interact. energy: -2.450
local terms energy: -625.121195
where:
bonds (distance) C4'-P energy: -123.476
bonds (distance) P-C4' energy: -110.073
flat angles C4'-P-C4' energy: -137.846
flat angles P-C4'-P energy: -82.435
tors. eta vs tors. theta energy: -171.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1846.163454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.163454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.163454 (E_RNA)
where:
Base-Base interactions energy: -1265.117
where: short stacking energy: -531.899
Base-Backbone interact. energy: -3.775
local terms energy: -577.271379
where:
bonds (distance) C4'-P energy: -112.021
bonds (distance) P-C4' energy: -121.664
flat angles C4'-P-C4' energy: -127.744
flat angles P-C4'-P energy: -65.350
tors. eta vs tors. theta energy: -150.492
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: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1792.585892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.585892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.585892 (E_RNA)
where:
Base-Base interactions energy: -1190.583
where: short stacking energy: -510.677
Base-Backbone interact. energy: -1.043
local terms energy: -600.959864
where:
bonds (distance) C4'-P energy: -109.996
bonds (distance) P-C4' energy: -130.835
flat angles C4'-P-C4' energy: -125.993
flat angles P-C4'-P energy: -84.775
tors. eta vs tors. theta energy: -149.360
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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1712.386345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.386345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.386345 (E_RNA)
where:
Base-Base interactions energy: -1147.316
where: short stacking energy: -476.507
Base-Backbone interact. energy: -3.168
local terms energy: -561.901712
where:
bonds (distance) C4'-P energy: -103.419
bonds (distance) P-C4' energy: -115.299
flat angles C4'-P-C4' energy: -125.387
flat angles P-C4'-P energy: -91.487
tors. eta vs tors. theta energy: -126.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1478.688460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.688460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.688460 (E_RNA)
where:
Base-Base interactions energy: -956.872
where: short stacking energy: -412.386
Base-Backbone interact. energy: -4.108
local terms energy: -517.708297
where:
bonds (distance) C4'-P energy: -101.809
bonds (distance) P-C4' energy: -121.295
flat angles C4'-P-C4' energy: -120.320
flat angles P-C4'-P energy: -68.452
tors. eta vs tors. theta energy: -105.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1107.740546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.740546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.740546 (E_RNA)
where:
Base-Base interactions energy: -676.886
where: short stacking energy: -273.386
Base-Backbone interact. energy: 4.672
local terms energy: -435.526558
where:
bonds (distance) C4'-P energy: -91.948
bonds (distance) P-C4' energy: -122.695
flat angles C4'-P-C4' energy: -91.839
flat angles P-C4'-P energy: -62.770
tors. eta vs tors. theta energy: -66.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -676.814390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.814390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.814390 (E_RNA)
where:
Base-Base interactions energy: -306.865
where: short stacking energy: -178.840
Base-Backbone interact. energy: 0.997
local terms energy: -370.946683
where:
bonds (distance) C4'-P energy: -111.935
bonds (distance) P-C4' energy: -121.059
flat angles C4'-P-C4' energy: -70.871
flat angles P-C4'-P energy: -61.011
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -437.465078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.465078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.465078 (E_RNA)
where:
Base-Base interactions energy: -132.028
where: short stacking energy: -123.985
Base-Backbone interact. energy: 3.516
local terms energy: -308.953417
where:
bonds (distance) C4'-P energy: -84.860
bonds (distance) P-C4' energy: -95.447
flat angles C4'-P-C4' energy: -97.324
flat angles P-C4'-P energy: -54.704
tors. eta vs tors. theta energy: 23.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2291.525877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.525877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.525877 (E_RNA)
where:
Base-Base interactions energy: -1619.978
where: short stacking energy: -638.060
Base-Backbone interact. energy: 5.960
local terms energy: -677.507696
where:
bonds (distance) C4'-P energy: -115.242
bonds (distance) P-C4' energy: -125.717
flat angles C4'-P-C4' energy: -147.010
flat angles P-C4'-P energy: -102.882
tors. eta vs tors. theta energy: -186.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2144.417904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.417904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.417904 (E_RNA)
where:
Base-Base interactions energy: -1500.870
where: short stacking energy: -584.713
Base-Backbone interact. energy: -1.918
local terms energy: -641.629842
where:
bonds (distance) C4'-P energy: -111.451
bonds (distance) P-C4' energy: -126.813
flat angles C4'-P-C4' energy: -137.110
flat angles P-C4'-P energy: -86.478
tors. eta vs tors. theta energy: -179.778
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: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2006.401853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.401853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.401853 (E_RNA)
where:
Base-Base interactions energy: -1389.435
where: short stacking energy: -541.934
Base-Backbone interact. energy: -0.650
local terms energy: -616.316615
where:
bonds (distance) C4'-P energy: -123.660
bonds (distance) P-C4' energy: -112.051
flat angles C4'-P-C4' energy: -133.737
flat angles P-C4'-P energy: -88.491
tors. eta vs tors. theta energy: -158.377
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: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1828.323180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.323180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.323180 (E_RNA)
where:
Base-Base interactions energy: -1263.440
where: short stacking energy: -504.912
Base-Backbone interact. energy: 1.283
local terms energy: -566.166494
where:
bonds (distance) C4'-P energy: -103.071
bonds (distance) P-C4' energy: -121.183
flat angles C4'-P-C4' energy: -122.275
flat angles P-C4'-P energy: -77.586
tors. eta vs tors. theta energy: -142.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1797.199294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.199294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.199294 (E_RNA)
where:
Base-Base interactions energy: -1222.624
where: short stacking energy: -502.567
Base-Backbone interact. energy: 1.783
local terms energy: -576.357793
where:
bonds (distance) C4'-P energy: -117.291
bonds (distance) P-C4' energy: -115.578
flat angles C4'-P-C4' energy: -121.820
flat angles P-C4'-P energy: -84.501
tors. eta vs tors. theta energy: -137.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1714.896347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.896347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.896347 (E_RNA)
where:
Base-Base interactions energy: -1159.330
where: short stacking energy: -463.829
Base-Backbone interact. energy: 2.762
local terms energy: -558.327909
where:
bonds (distance) C4'-P energy: -120.719
bonds (distance) P-C4' energy: -112.063
flat angles C4'-P-C4' energy: -117.686
flat angles P-C4'-P energy: -82.075
tors. eta vs tors. theta energy: -125.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1443.975147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.975147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.975147 (E_RNA)
where:
Base-Base interactions energy: -923.754
where: short stacking energy: -381.907
Base-Backbone interact. energy: -2.096
local terms energy: -518.124594
where:
bonds (distance) C4'-P energy: -96.850
bonds (distance) P-C4' energy: -105.833
flat angles C4'-P-C4' energy: -121.536
flat angles P-C4'-P energy: -85.835
tors. eta vs tors. theta energy: -108.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1128.718472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.718472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.718472 (E_RNA)
where:
Base-Base interactions energy: -678.549
where: short stacking energy: -311.435
Base-Backbone interact. energy: 1.103
local terms energy: -451.272037
where:
bonds (distance) C4'-P energy: -115.218
bonds (distance) P-C4' energy: -105.075
flat angles C4'-P-C4' energy: -94.801
flat angles P-C4'-P energy: -70.972
tors. eta vs tors. theta energy: -65.205
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: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -700.040337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.040337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.040337 (E_RNA)
where:
Base-Base interactions energy: -336.152
where: short stacking energy: -171.624
Base-Backbone interact. energy: 5.580
local terms energy: -369.468386
where:
bonds (distance) C4'-P energy: -100.905
bonds (distance) P-C4' energy: -112.733
flat angles C4'-P-C4' energy: -104.728
flat angles P-C4'-P energy: -47.655
tors. eta vs tors. theta energy: -3.447
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: 195
Temperature: 1.350000
Total energy: -524.334932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.334932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.334932 (E_RNA)
where:
Base-Base interactions energy: -177.815
where: short stacking energy: -132.783
Base-Backbone interact. energy: 0.525
local terms energy: -347.044948
where:
bonds (distance) C4'-P energy: -103.197
bonds (distance) P-C4' energy: -118.482
flat angles C4'-P-C4' energy: -87.324
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: 13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2297.800087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.800087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.800087 (E_RNA)
where:
Base-Base interactions energy: -1615.666
where: short stacking energy: -646.166
Base-Backbone interact. energy: -3.027
local terms energy: -679.107274
where:
bonds (distance) C4'-P energy: -112.939
bonds (distance) P-C4' energy: -134.819
flat angles C4'-P-C4' energy: -144.802
flat angles P-C4'-P energy: -94.850
tors. eta vs tors. theta energy: -191.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2157.896872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.896872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.896872 (E_RNA)
where:
Base-Base interactions energy: -1509.585
where: short stacking energy: -592.616
Base-Backbone interact. energy: -3.887
local terms energy: -644.424680
where:
bonds (distance) C4'-P energy: -114.357
bonds (distance) P-C4' energy: -122.565
flat angles C4'-P-C4' energy: -138.327
flat angles P-C4'-P energy: -89.398
tors. eta vs tors. theta energy: -179.778
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: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2020.673956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.673956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.673956 (E_RNA)
where:
Base-Base interactions energy: -1397.901
where: short stacking energy: -567.465
Base-Backbone interact. energy: -0.108
local terms energy: -622.664555
where:
bonds (distance) C4'-P energy: -122.809
bonds (distance) P-C4' energy: -125.945
flat angles C4'-P-C4' energy: -130.255
flat angles P-C4'-P energy: -88.402
tors. eta vs tors. theta energy: -155.255
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: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1860.838651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.838651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.838651 (E_RNA)
where:
Base-Base interactions energy: -1262.491
where: short stacking energy: -541.381
Base-Backbone interact. energy: -2.197
local terms energy: -596.150859
where:
bonds (distance) C4'-P energy: -88.864
bonds (distance) P-C4' energy: -137.815
flat angles C4'-P-C4' energy: -131.465
flat angles P-C4'-P energy: -87.828
tors. eta vs tors. theta energy: -150.179
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: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1812.298982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.298982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.298982 (E_RNA)
where:
Base-Base interactions energy: -1207.435
where: short stacking energy: -520.490
Base-Backbone interact. energy: -2.617
local terms energy: -602.247626
where:
bonds (distance) C4'-P energy: -113.246
bonds (distance) P-C4' energy: -109.668
flat angles C4'-P-C4' energy: -138.006
flat angles P-C4'-P energy: -91.725
tors. eta vs tors. theta energy: -149.602
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: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1715.991257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.991257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.991257 (E_RNA)
where:
Base-Base interactions energy: -1155.435
where: short stacking energy: -460.993
Base-Backbone interact. energy: -1.578
local terms energy: -558.978140
where:
bonds (distance) C4'-P energy: -113.661
bonds (distance) P-C4' energy: -104.374
flat angles C4'-P-C4' energy: -126.841
flat angles P-C4'-P energy: -81.484
tors. eta vs tors. theta energy: -132.618
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: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1475.561768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.561768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.561768 (E_RNA)
where:
Base-Base interactions energy: -952.823
where: short stacking energy: -411.787
Base-Backbone interact. energy: 2.621
local terms energy: -525.359077
where:
bonds (distance) C4'-P energy: -100.558
bonds (distance) P-C4' energy: -118.159
flat angles C4'-P-C4' energy: -107.422
flat angles P-C4'-P energy: -77.420
tors. eta vs tors. theta energy: -121.801
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: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1096.494564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.494564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.494564 (E_RNA)
where:
Base-Base interactions energy: -683.965
where: short stacking energy: -290.531
Base-Backbone interact. energy: 0.702
local terms energy: -413.231450
where:
bonds (distance) C4'-P energy: -98.319
bonds (distance) P-C4' energy: -109.191
flat angles C4'-P-C4' energy: -104.108
flat angles P-C4'-P energy: -56.675
tors. eta vs tors. theta energy: -44.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -717.183302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.183302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.183302 (E_RNA)
where:
Base-Base interactions energy: -342.528
where: short stacking energy: -190.082
Base-Backbone interact. energy: -2.359
local terms energy: -372.295968
where:
bonds (distance) C4'-P energy: -94.442
bonds (distance) P-C4' energy: -88.137
flat angles C4'-P-C4' energy: -101.527
flat angles P-C4'-P energy: -74.476
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -444.554452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.554452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.554452 (E_RNA)
where:
Base-Base interactions energy: -137.497
where: short stacking energy: -116.244
Base-Backbone interact. energy: -2.822
local terms energy: -304.235058
where:
bonds (distance) C4'-P energy: -111.187
bonds (distance) P-C4' energy: -91.911
flat angles C4'-P-C4' energy: -77.827
flat angles P-C4'-P energy: -53.685
tors. eta vs tors. theta energy: 30.374
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: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2297.473148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.473148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.473148 (E_RNA)
where:
Base-Base interactions energy: -1635.230
where: short stacking energy: -644.362
Base-Backbone interact. energy: 5.999
local terms energy: -668.242087
where:
bonds (distance) C4'-P energy: -129.804
bonds (distance) P-C4' energy: -113.106
flat angles C4'-P-C4' energy: -139.958
flat angles P-C4'-P energy: -101.889
tors. eta vs tors. theta energy: -183.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2172.830929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.830929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.830929 (E_RNA)
where:
Base-Base interactions energy: -1491.540
where: short stacking energy: -606.867
Base-Backbone interact. energy: -4.606
local terms energy: -676.685541
where:
bonds (distance) C4'-P energy: -122.626
bonds (distance) P-C4' energy: -127.089
flat angles C4'-P-C4' energy: -140.274
flat angles P-C4'-P energy: -103.250
tors. eta vs tors. theta energy: -183.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2033.362700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.362700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.362700 (E_RNA)
where:
Base-Base interactions energy: -1418.225
where: short stacking energy: -557.918
Base-Backbone interact. energy: 1.364
local terms energy: -616.501384
where:
bonds (distance) C4'-P energy: -111.561
bonds (distance) P-C4' energy: -124.570
flat angles C4'-P-C4' energy: -137.509
flat angles P-C4'-P energy: -79.358
tors. eta vs tors. theta energy: -163.503
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: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1837.594536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.594536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.594536 (E_RNA)
where:
Base-Base interactions energy: -1271.369
where: short stacking energy: -512.700
Base-Backbone interact. energy: -2.721
local terms energy: -563.505299
where:
bonds (distance) C4'-P energy: -115.571
bonds (distance) P-C4' energy: -106.292
flat angles C4'-P-C4' energy: -115.038
flat angles P-C4'-P energy: -74.409
tors. eta vs tors. theta energy: -152.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1877.714137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.714137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.714137 (E_RNA)
where:
Base-Base interactions energy: -1273.767
where: short stacking energy: -540.407
Base-Backbone interact. energy: 1.620
local terms energy: -605.566580
where:
bonds (distance) C4'-P energy: -101.685
bonds (distance) P-C4' energy: -112.673
flat angles C4'-P-C4' energy: -138.292
flat angles P-C4'-P energy: -91.583
tors. eta vs tors. theta energy: -161.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1742.005227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.005227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.005227 (E_RNA)
where:
Base-Base interactions energy: -1192.410
where: short stacking energy: -480.094
Base-Backbone interact. energy: 0.486
local terms energy: -550.081512
where:
bonds (distance) C4'-P energy: -111.027
bonds (distance) P-C4' energy: -96.050
flat angles C4'-P-C4' energy: -132.270
flat angles P-C4'-P energy: -82.996
tors. eta vs tors. theta energy: -127.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1511.996962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.996962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.996962 (E_RNA)
where:
Base-Base interactions energy: -992.437
where: short stacking energy: -429.369
Base-Backbone interact. energy: -0.358
local terms energy: -519.201599
where:
bonds (distance) C4'-P energy: -104.843
bonds (distance) P-C4' energy: -105.737
flat angles C4'-P-C4' energy: -118.320
flat angles P-C4'-P energy: -74.782
tors. eta vs tors. theta energy: -115.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1090.645917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.645917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.645917 (E_RNA)
where:
Base-Base interactions energy: -649.993
where: short stacking energy: -275.294
Base-Backbone interact. energy: -4.192
local terms energy: -436.460966
where:
bonds (distance) C4'-P energy: -117.971
bonds (distance) P-C4' energy: -82.347
flat angles C4'-P-C4' energy: -121.774
flat angles P-C4'-P energy: -56.434
tors. eta vs tors. theta energy: -57.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -704.371597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.371597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.371597 (E_RNA)
where:
Base-Base interactions energy: -360.873
where: short stacking energy: -202.359
Base-Backbone interact. energy: 7.081
local terms energy: -350.579603
where:
bonds (distance) C4'-P energy: -101.429
bonds (distance) P-C4' energy: -108.222
flat angles C4'-P-C4' energy: -79.412
flat angles P-C4'-P energy: -58.661
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -447.561722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.561722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.561722 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -109.189
Base-Backbone interact. energy: 0.323
local terms energy: -306.903955
where:
bonds (distance) C4'-P energy: -114.617
bonds (distance) P-C4' energy: -91.240
flat angles C4'-P-C4' energy: -84.846
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: 33.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2305.422409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.422409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.422409 (E_RNA)
where:
Base-Base interactions energy: -1635.524
where: short stacking energy: -649.346
Base-Backbone interact. energy: 3.621
local terms energy: -673.518970
where:
bonds (distance) C4'-P energy: -121.343
bonds (distance) P-C4' energy: -112.853
flat angles C4'-P-C4' energy: -145.083
flat angles P-C4'-P energy: -100.370
tors. eta vs tors. theta energy: -193.870
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: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2157.992417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.992417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.992417 (E_RNA)
where:
Base-Base interactions energy: -1512.849
where: short stacking energy: -590.982
Base-Backbone interact. energy: -6.167
local terms energy: -638.976349
where:
bonds (distance) C4'-P energy: -112.461
bonds (distance) P-C4' energy: -119.216
flat angles C4'-P-C4' energy: -141.550
flat angles P-C4'-P energy: -87.460
tors. eta vs tors. theta energy: -178.290
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: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2059.428345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.428345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.428345 (E_RNA)
where:
Base-Base interactions energy: -1426.355
where: short stacking energy: -577.348
Base-Backbone interact. energy: -1.529
local terms energy: -631.544233
where:
bonds (distance) C4'-P energy: -122.424
bonds (distance) P-C4' energy: -122.805
flat angles C4'-P-C4' energy: -142.031
flat angles P-C4'-P energy: -74.375
tors. eta vs tors. theta energy: -169.910
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: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1809.731074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.731074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.731074 (E_RNA)
where:
Base-Base interactions energy: -1212.539
where: short stacking energy: -523.550
Base-Backbone interact. energy: -1.290
local terms energy: -595.902766
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -112.767
flat angles C4'-P-C4' energy: -143.430
flat angles P-C4'-P energy: -75.076
tors. eta vs tors. theta energy: -154.775
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: 198
Temperature: 1.100000
Total energy: -1837.365398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.365398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.365398 (E_RNA)
where:
Base-Base interactions energy: -1256.089
where: short stacking energy: -505.642
Base-Backbone interact. energy: 1.182
local terms energy: -582.458784
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -123.602
flat angles C4'-P-C4' energy: -126.285
flat angles P-C4'-P energy: -80.684
tors. eta vs tors. theta energy: -144.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1769.084238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.084238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.084238 (E_RNA)
where:
Base-Base interactions energy: -1222.506
where: short stacking energy: -502.736
Base-Backbone interact. energy: -0.463
local terms energy: -546.115430
where:
bonds (distance) C4'-P energy: -104.705
bonds (distance) P-C4' energy: -83.901
flat angles C4'-P-C4' energy: -132.610
flat angles P-C4'-P energy: -87.015
tors. eta vs tors. theta energy: -137.885
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: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1443.116757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.116757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.116757 (E_RNA)
where:
Base-Base interactions energy: -963.517
where: short stacking energy: -425.108
Base-Backbone interact. energy: 5.371
local terms energy: -484.970719
where:
bonds (distance) C4'-P energy: -89.203
bonds (distance) P-C4' energy: -110.314
flat angles C4'-P-C4' energy: -118.273
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -107.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1101.828413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.828413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.828413 (E_RNA)
where:
Base-Base interactions energy: -673.500
where: short stacking energy: -315.590
Base-Backbone interact. energy: 2.453
local terms energy: -430.781648
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -111.637
flat angles C4'-P-C4' energy: -107.343
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -72.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -719.387226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.387226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.387226 (E_RNA)
where:
Base-Base interactions energy: -352.265
where: short stacking energy: -186.268
Base-Backbone interact. energy: -3.167
local terms energy: -363.954308
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -107.410
flat angles C4'-P-C4' energy: -106.098
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -21.173
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: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -470.917026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.917026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.917026 (E_RNA)
where:
Base-Base interactions energy: -154.254
where: short stacking energy: -130.216
Base-Backbone interact. energy: -0.434
local terms energy: -316.228902
where:
bonds (distance) C4'-P energy: -90.311
bonds (distance) P-C4' energy: -107.691
flat angles C4'-P-C4' energy: -91.100
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: 21.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2306.408312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.408312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.408312 (E_RNA)
where:
Base-Base interactions energy: -1631.399
where: short stacking energy: -646.327
Base-Backbone interact. energy: -4.146
local terms energy: -670.863527
where:
bonds (distance) C4'-P energy: -114.113
bonds (distance) P-C4' energy: -133.573
flat angles C4'-P-C4' energy: -137.570
flat angles P-C4'-P energy: -97.899
tors. eta vs tors. theta energy: -187.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2114.884967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.884967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.884967 (E_RNA)
where:
Base-Base interactions energy: -1449.615
where: short stacking energy: -570.247
Base-Backbone interact. energy: -1.487
local terms energy: -663.782908
where:
bonds (distance) C4'-P energy: -118.594
bonds (distance) P-C4' energy: -127.280
flat angles C4'-P-C4' energy: -147.693
flat angles P-C4'-P energy: -97.794
tors. eta vs tors. theta energy: -172.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2005.117223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.117223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.117223 (E_RNA)
where:
Base-Base interactions energy: -1366.090
where: short stacking energy: -572.179
Base-Backbone interact. energy: -2.383
local terms energy: -636.643771
where:
bonds (distance) C4'-P energy: -128.173
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -135.058
flat angles P-C4'-P energy: -101.959
tors. eta vs tors. theta energy: -160.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1963.349382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.349382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.349382 (E_RNA)
where:
Base-Base interactions energy: -1355.014
where: short stacking energy: -557.911
Base-Backbone interact. energy: 0.208
local terms energy: -608.543378
where:
bonds (distance) C4'-P energy: -110.412
bonds (distance) P-C4' energy: -118.915
flat angles C4'-P-C4' energy: -136.506
flat angles P-C4'-P energy: -81.984
tors. eta vs tors. theta energy: -160.726
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: 199
Temperature: 1.100000
Total energy: -1771.692340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.692340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.692340 (E_RNA)
where:
Base-Base interactions energy: -1204.195
where: short stacking energy: -478.560
Base-Backbone interact. energy: 1.218
local terms energy: -568.714909
where:
bonds (distance) C4'-P energy: -105.603
bonds (distance) P-C4' energy: -116.310
flat angles C4'-P-C4' energy: -125.739
flat angles P-C4'-P energy: -84.653
tors. eta vs tors. theta energy: -136.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1714.215257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.215257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.215257 (E_RNA)
where:
Base-Base interactions energy: -1150.454
where: short stacking energy: -492.496
Base-Backbone interact. energy: 1.016
local terms energy: -564.777688
where:
bonds (distance) C4'-P energy: -112.472
bonds (distance) P-C4' energy: -130.399
flat angles C4'-P-C4' energy: -118.626
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: -131.938
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: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1466.256423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.256423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.256423 (E_RNA)
where:
Base-Base interactions energy: -953.688
where: short stacking energy: -402.581
Base-Backbone interact. energy: 1.818
local terms energy: -514.386155
where:
bonds (distance) C4'-P energy: -108.920
bonds (distance) P-C4' energy: -110.743
flat angles C4'-P-C4' energy: -116.896
flat angles P-C4'-P energy: -68.366
tors. eta vs tors. theta energy: -109.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1022.939005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.939005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.939005 (E_RNA)
where:
Base-Base interactions energy: -619.674
where: short stacking energy: -303.683
Base-Backbone interact. energy: 7.245
local terms energy: -410.510252
where:
bonds (distance) C4'-P energy: -90.588
bonds (distance) P-C4' energy: -105.985
flat angles C4'-P-C4' energy: -78.748
flat angles P-C4'-P energy: -78.933
tors. eta vs tors. theta energy: -56.256
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: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -743.105061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.105061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.105061 (E_RNA)
where:
Base-Base interactions energy: -386.667
where: short stacking energy: -215.507
Base-Backbone interact. energy: -1.638
local terms energy: -354.799602
where:
bonds (distance) C4'-P energy: -92.433
bonds (distance) P-C4' energy: -92.695
flat angles C4'-P-C4' energy: -100.502
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -11.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -451.318538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.318538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.318538 (E_RNA)
where:
Base-Base interactions energy: -129.791
where: short stacking energy: -121.854
Base-Backbone interact. energy: 2.337
local terms energy: -323.864055
where:
bonds (distance) C4'-P energy: -88.271
bonds (distance) P-C4' energy: -115.709
flat angles C4'-P-C4' energy: -93.577
flat angles P-C4'-P energy: -42.602
tors. eta vs tors. theta energy: 16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2291.827346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.827346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.827346 (E_RNA)
where:
Base-Base interactions energy: -1615.026
where: short stacking energy: -626.107
Base-Backbone interact. energy: 0.278
local terms energy: -677.079426
where:
bonds (distance) C4'-P energy: -122.399
bonds (distance) P-C4' energy: -128.785
flat angles C4'-P-C4' energy: -138.359
flat angles P-C4'-P energy: -109.381
tors. eta vs tors. theta energy: -178.156
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: 200
Temperature: 0.950000
Total energy: -2157.905357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.905357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.905357 (E_RNA)
where:
Base-Base interactions energy: -1494.620
where: short stacking energy: -586.466
Base-Backbone interact. energy: 0.047
local terms energy: -663.332420
where:
bonds (distance) C4'-P energy: -124.886
bonds (distance) P-C4' energy: -113.833
flat angles C4'-P-C4' energy: -139.283
flat angles P-C4'-P energy: -98.984
tors. eta vs tors. theta energy: -186.346
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: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2016.299554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.299554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.299554 (E_RNA)
where:
Base-Base interactions energy: -1356.911
where: short stacking energy: -536.919
Base-Backbone interact. energy: -4.749
local terms energy: -654.639271
where:
bonds (distance) C4'-P energy: -123.318
bonds (distance) P-C4' energy: -127.278
flat angles C4'-P-C4' energy: -145.167
flat angles P-C4'-P energy: -93.326
tors. eta vs tors. theta energy: -165.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1983.010206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.010206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.010206 (E_RNA)
where:
Base-Base interactions energy: -1379.771
where: short stacking energy: -566.481
Base-Backbone interact. energy: -3.098
local terms energy: -600.141069
where:
bonds (distance) C4'-P energy: -118.648
bonds (distance) P-C4' energy: -112.455
flat angles C4'-P-C4' energy: -130.127
flat angles P-C4'-P energy: -84.895
tors. eta vs tors. theta energy: -154.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1767.325149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.325149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.325149 (E_RNA)
where:
Base-Base interactions energy: -1181.765
where: short stacking energy: -482.640
Base-Backbone interact. energy: -1.606
local terms energy: -583.953482
where:
bonds (distance) C4'-P energy: -121.221
bonds (distance) P-C4' energy: -110.381
flat angles C4'-P-C4' energy: -135.444
flat angles P-C4'-P energy: -82.787
tors. eta vs tors. theta energy: -134.119
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: 200
Temperature: 1.150000
Total energy: -1740.215682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.215682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.215682 (E_RNA)
where:
Base-Base interactions energy: -1168.228
where: short stacking energy: -478.347
Base-Backbone interact. energy: 1.903
local terms energy: -573.890685
where:
bonds (distance) C4'-P energy: -114.713
bonds (distance) P-C4' energy: -121.233
flat angles C4'-P-C4' energy: -128.563
flat angles P-C4'-P energy: -69.110
tors. eta vs tors. theta energy: -140.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1462.022028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.022028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.022028 (E_RNA)
where:
Base-Base interactions energy: -951.448
where: short stacking energy: -414.841
Base-Backbone interact. energy: 2.643
local terms energy: -513.216743
where:
bonds (distance) C4'-P energy: -114.935
bonds (distance) P-C4' energy: -104.695
flat angles C4'-P-C4' energy: -110.863
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -114.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -983.191285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.191285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.191285 (E_RNA)
where:
Base-Base interactions energy: -578.674
where: short stacking energy: -263.395
Base-Backbone interact. energy: 1.309
local terms energy: -405.825695
where:
bonds (distance) C4'-P energy: -95.057
bonds (distance) P-C4' energy: -117.453
flat angles C4'-P-C4' energy: -87.008
flat angles P-C4'-P energy: -68.797
tors. eta vs tors. theta energy: -37.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -744.785466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.785466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.785466 (E_RNA)
where:
Base-Base interactions energy: -395.902
where: short stacking energy: -188.085
Base-Backbone interact. energy: -1.676
local terms energy: -347.207000
where:
bonds (distance) C4'-P energy: -112.605
bonds (distance) P-C4' energy: -109.418
flat angles C4'-P-C4' energy: -81.919
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: 1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -449.275760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.275760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.275760 (E_RNA)
where:
Base-Base interactions energy: -118.149
where: short stacking energy: -94.777
Base-Backbone interact. energy: -0.355
local terms energy: -330.771063
where:
bonds (distance) C4'-P energy: -109.738
bonds (distance) P-C4' energy: -117.703
flat angles C4'-P-C4' energy: -84.251
flat angles P-C4'-P energy: -63.634
tors. eta vs tors. theta energy: 44.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2296.780183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.780183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.780183 (E_RNA)
where:
Base-Base interactions energy: -1612.092
where: short stacking energy: -628.885
Base-Backbone interact. energy: 0.309
local terms energy: -684.996566
where:
bonds (distance) C4'-P energy: -130.670
bonds (distance) P-C4' energy: -119.348
flat angles C4'-P-C4' energy: -142.456
flat angles P-C4'-P energy: -107.515
tors. eta vs tors. theta energy: -185.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2148.496397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.496397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.496397 (E_RNA)
where:
Base-Base interactions energy: -1444.578
where: short stacking energy: -580.774
Base-Backbone interact. energy: -1.348
local terms energy: -702.570482
where:
bonds (distance) C4'-P energy: -122.349
bonds (distance) P-C4' energy: -136.298
flat angles C4'-P-C4' energy: -147.009
flat angles P-C4'-P energy: -106.544
tors. eta vs tors. theta energy: -190.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1987.157221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.157221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.157221 (E_RNA)
where:
Base-Base interactions energy: -1358.770
where: short stacking energy: -570.341
Base-Backbone interact. energy: 0.775
local terms energy: -629.162154
where:
bonds (distance) C4'-P energy: -115.385
bonds (distance) P-C4' energy: -113.893
flat angles C4'-P-C4' energy: -141.165
flat angles P-C4'-P energy: -88.355
tors. eta vs tors. theta energy: -170.363
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: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2004.503619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.503619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.503619 (E_RNA)
where:
Base-Base interactions energy: -1375.263
where: short stacking energy: -546.829
Base-Backbone interact. energy: -3.072
local terms energy: -626.168781
where:
bonds (distance) C4'-P energy: -111.871
bonds (distance) P-C4' energy: -115.756
flat angles C4'-P-C4' energy: -138.233
flat angles P-C4'-P energy: -95.809
tors. eta vs tors. theta energy: -164.500
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: 201
Temperature: 1.100000
Total energy: -1730.828836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.828836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.828836 (E_RNA)
where:
Base-Base interactions energy: -1162.646
where: short stacking energy: -475.845
Base-Backbone interact. energy: 0.546
local terms energy: -568.728085
where:
bonds (distance) C4'-P energy: -100.143
bonds (distance) P-C4' energy: -117.050
flat angles C4'-P-C4' energy: -140.440
flat angles P-C4'-P energy: -87.519
tors. eta vs tors. theta energy: -123.575
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: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1742.976185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.976185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.976185 (E_RNA)
where:
Base-Base interactions energy: -1204.174
where: short stacking energy: -494.126
Base-Backbone interact. energy: 2.728
local terms energy: -541.529450
where:
bonds (distance) C4'-P energy: -98.940
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -116.127
flat angles P-C4'-P energy: -90.163
tors. eta vs tors. theta energy: -143.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1473.541039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.541039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.541039 (E_RNA)
where:
Base-Base interactions energy: -959.058
where: short stacking energy: -399.164
Base-Backbone interact. energy: -1.181
local terms energy: -513.302036
where:
bonds (distance) C4'-P energy: -97.021
bonds (distance) P-C4' energy: -109.651
flat angles C4'-P-C4' energy: -122.202
flat angles P-C4'-P energy: -72.649
tors. eta vs tors. theta energy: -111.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -981.166438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.166438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.166438 (E_RNA)
where:
Base-Base interactions energy: -569.144
where: short stacking energy: -254.170
Base-Backbone interact. energy: -3.531
local terms energy: -408.491576
where:
bonds (distance) C4'-P energy: -102.412
bonds (distance) P-C4' energy: -96.073
flat angles C4'-P-C4' energy: -101.014
flat angles P-C4'-P energy: -52.744
tors. eta vs tors. theta energy: -56.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -719.151377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.151377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.151377 (E_RNA)
where:
Base-Base interactions energy: -368.721
where: short stacking energy: -180.876
Base-Backbone interact. energy: 0.391
local terms energy: -350.820823
where:
bonds (distance) C4'-P energy: -99.654
bonds (distance) P-C4' energy: -98.719
flat angles C4'-P-C4' energy: -102.041
flat angles P-C4'-P energy: -35.250
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -452.346970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.346970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.346970 (E_RNA)
where:
Base-Base interactions energy: -170.147
where: short stacking energy: -120.186
Base-Backbone interact. energy: 6.162
local terms energy: -288.362399
where:
bonds (distance) C4'-P energy: -94.087
bonds (distance) P-C4' energy: -96.210
flat angles C4'-P-C4' energy: -78.176
flat angles P-C4'-P energy: -45.107
tors. eta vs tors. theta energy: 25.219
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: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2300.414709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.414709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.414709 (E_RNA)
where:
Base-Base interactions energy: -1619.859
where: short stacking energy: -633.746
Base-Backbone interact. energy: -0.212
local terms energy: -680.343023
where:
bonds (distance) C4'-P energy: -125.775
bonds (distance) P-C4' energy: -123.017
flat angles C4'-P-C4' energy: -153.802
flat angles P-C4'-P energy: -94.072
tors. eta vs tors. theta energy: -183.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2102.961842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.961842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.961842 (E_RNA)
where:
Base-Base interactions energy: -1443.041
where: short stacking energy: -581.464
Base-Backbone interact. energy: -1.533
local terms energy: -658.387701
where:
bonds (distance) C4'-P energy: -124.420
bonds (distance) P-C4' energy: -115.632
flat angles C4'-P-C4' energy: -140.999
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -187.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2030.513060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.513060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.513060 (E_RNA)
where:
Base-Base interactions energy: -1383.722
where: short stacking energy: -559.186
Base-Backbone interact. energy: -6.505
local terms energy: -640.286901
where:
bonds (distance) C4'-P energy: -107.412
bonds (distance) P-C4' energy: -121.682
flat angles C4'-P-C4' energy: -140.473
flat angles P-C4'-P energy: -105.635
tors. eta vs tors. theta energy: -165.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1994.016700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.016700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.016700 (E_RNA)
where:
Base-Base interactions energy: -1353.164
where: short stacking energy: -538.814
Base-Backbone interact. energy: -3.336
local terms energy: -637.516339
where:
bonds (distance) C4'-P energy: -119.084
bonds (distance) P-C4' energy: -129.385
flat angles C4'-P-C4' energy: -130.031
flat angles P-C4'-P energy: -95.666
tors. eta vs tors. theta energy: -163.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1813.826440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.826440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.826440 (E_RNA)
where:
Base-Base interactions energy: -1265.160
where: short stacking energy: -540.579
Base-Backbone interact. energy: 1.757
local terms energy: -550.423415
where:
bonds (distance) C4'-P energy: -105.712
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -121.470
flat angles P-C4'-P energy: -77.512
tors. eta vs tors. theta energy: -140.978
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: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1699.186831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.186831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.186831 (E_RNA)
where:
Base-Base interactions energy: -1128.458
where: short stacking energy: -482.415
Base-Backbone interact. energy: -0.852
local terms energy: -569.876739
where:
bonds (distance) C4'-P energy: -115.868
bonds (distance) P-C4' energy: -114.852
flat angles C4'-P-C4' energy: -128.223
flat angles P-C4'-P energy: -81.732
tors. eta vs tors. theta energy: -129.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1507.742402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.742402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.742402 (E_RNA)
where:
Base-Base interactions energy: -950.266
where: short stacking energy: -402.220
Base-Backbone interact. energy: -2.078
local terms energy: -555.397925
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -118.909
flat angles C4'-P-C4' energy: -110.631
flat angles P-C4'-P energy: -92.789
tors. eta vs tors. theta energy: -125.355
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -972.387481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.387481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.387481 (E_RNA)
where:
Base-Base interactions energy: -574.799
where: short stacking energy: -275.612
Base-Backbone interact. energy: -1.309
local terms energy: -396.279350
where:
bonds (distance) C4'-P energy: -107.670
bonds (distance) P-C4' energy: -92.594
flat angles C4'-P-C4' energy: -104.578
flat angles P-C4'-P energy: -59.915
tors. eta vs tors. theta energy: -31.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -635.622776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.622776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.622776 (E_RNA)
where:
Base-Base interactions energy: -298.886
where: short stacking energy: -158.933
Base-Backbone interact. energy: -0.176
local terms energy: -336.560485
where:
bonds (distance) C4'-P energy: -96.473
bonds (distance) P-C4' energy: -107.315
flat angles C4'-P-C4' energy: -102.170
flat angles P-C4'-P energy: -58.980
tors. eta vs tors. theta energy: 28.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -470.708368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.708368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.708368 (E_RNA)
where:
Base-Base interactions energy: -180.325
where: short stacking energy: -114.133
Base-Backbone interact. energy: -2.543
local terms energy: -287.841223
where:
bonds (distance) C4'-P energy: -85.916
bonds (distance) P-C4' energy: -103.161
flat angles C4'-P-C4' energy: -59.226
flat angles P-C4'-P energy: -67.202
tors. eta vs tors. theta energy: 27.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2282.437701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.437701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.437701 (E_RNA)
where:
Base-Base interactions energy: -1619.439
where: short stacking energy: -623.840
Base-Backbone interact. energy: 4.200
local terms energy: -667.198896
where:
bonds (distance) C4'-P energy: -108.357
bonds (distance) P-C4' energy: -123.516
flat angles C4'-P-C4' energy: -147.790
flat angles P-C4'-P energy: -99.065
tors. eta vs tors. theta energy: -188.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2118.476560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.476560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.476560 (E_RNA)
where:
Base-Base interactions energy: -1489.072
where: short stacking energy: -588.180
Base-Backbone interact. energy: -4.729
local terms energy: -624.674851
where:
bonds (distance) C4'-P energy: -102.093
bonds (distance) P-C4' energy: -123.302
flat angles C4'-P-C4' energy: -132.365
flat angles P-C4'-P energy: -84.504
tors. eta vs tors. theta energy: -182.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2059.896488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.896488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.896488 (E_RNA)
where:
Base-Base interactions energy: -1402.418
where: short stacking energy: -598.001
Base-Backbone interact. energy: -1.796
local terms energy: -655.682275
where:
bonds (distance) C4'-P energy: -116.405
bonds (distance) P-C4' energy: -134.997
flat angles C4'-P-C4' energy: -138.440
flat angles P-C4'-P energy: -84.073
tors. eta vs tors. theta energy: -181.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2006.531794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.531794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.531794 (E_RNA)
where:
Base-Base interactions energy: -1399.332
where: short stacking energy: -561.312
Base-Backbone interact. energy: -1.760
local terms energy: -605.439757
where:
bonds (distance) C4'-P energy: -97.931
bonds (distance) P-C4' energy: -114.725
flat angles C4'-P-C4' energy: -135.684
flat angles P-C4'-P energy: -96.503
tors. eta vs tors. theta energy: -160.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1797.750625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.750625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.750625 (E_RNA)
where:
Base-Base interactions energy: -1243.583
where: short stacking energy: -496.349
Base-Backbone interact. energy: 0.030
local terms energy: -554.197170
where:
bonds (distance) C4'-P energy: -121.224
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -121.487
flat angles P-C4'-P energy: -79.089
tors. eta vs tors. theta energy: -139.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1706.144143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.144143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.144143 (E_RNA)
where:
Base-Base interactions energy: -1162.784
where: short stacking energy: -479.012
Base-Backbone interact. energy: -0.712
local terms energy: -542.647908
where:
bonds (distance) C4'-P energy: -104.934
bonds (distance) P-C4' energy: -104.188
flat angles C4'-P-C4' energy: -113.422
flat angles P-C4'-P energy: -84.057
tors. eta vs tors. theta energy: -136.047
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: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1444.829031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.829031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.829031 (E_RNA)
where:
Base-Base interactions energy: -949.601
where: short stacking energy: -385.740
Base-Backbone interact. energy: -3.072
local terms energy: -492.156943
where:
bonds (distance) C4'-P energy: -103.758
bonds (distance) P-C4' energy: -108.371
flat angles C4'-P-C4' energy: -104.633
flat angles P-C4'-P energy: -71.124
tors. eta vs tors. theta energy: -104.272
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: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1002.623786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.623786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.623786 (E_RNA)
where:
Base-Base interactions energy: -572.661
where: short stacking energy: -281.433
Base-Backbone interact. energy: -1.408
local terms energy: -428.555381
where:
bonds (distance) C4'-P energy: -104.842
bonds (distance) P-C4' energy: -102.621
flat angles C4'-P-C4' energy: -95.721
flat angles P-C4'-P energy: -60.930
tors. eta vs tors. theta energy: -64.441
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: 203
Temperature: 1.300000
Total energy: -694.749053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.749053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.749053 (E_RNA)
where:
Base-Base interactions energy: -326.438
where: short stacking energy: -184.988
Base-Backbone interact. energy: 7.364
local terms energy: -375.675295
where:
bonds (distance) C4'-P energy: -102.248
bonds (distance) P-C4' energy: -115.290
flat angles C4'-P-C4' energy: -93.510
flat angles P-C4'-P energy: -59.669
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -475.576225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.576225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.576225 (E_RNA)
where:
Base-Base interactions energy: -171.298
where: short stacking energy: -114.108
Base-Backbone interact. energy: -0.578
local terms energy: -303.699722
where:
bonds (distance) C4'-P energy: -92.173
bonds (distance) P-C4' energy: -104.907
flat angles C4'-P-C4' energy: -85.507
flat angles P-C4'-P energy: -58.949
tors. eta vs tors. theta energy: 37.837
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: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2290.614102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.614102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.614102 (E_RNA)
where:
Base-Base interactions energy: -1637.659
where: short stacking energy: -629.367
Base-Backbone interact. energy: 9.660
local terms energy: -662.615443
where:
bonds (distance) C4'-P energy: -119.353
bonds (distance) P-C4' energy: -115.314
flat angles C4'-P-C4' energy: -153.718
flat angles P-C4'-P energy: -90.642
tors. eta vs tors. theta energy: -183.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2139.125891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.125891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.125891 (E_RNA)
where:
Base-Base interactions energy: -1485.045
where: short stacking energy: -602.790
Base-Backbone interact. energy: -0.288
local terms energy: -653.793063
where:
bonds (distance) C4'-P energy: -104.990
bonds (distance) P-C4' energy: -129.978
flat angles C4'-P-C4' energy: -136.580
flat angles P-C4'-P energy: -95.827
tors. eta vs tors. theta energy: -186.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2056.016530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.016530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.016530 (E_RNA)
where:
Base-Base interactions energy: -1408.884
where: short stacking energy: -538.063
Base-Backbone interact. energy: -0.856
local terms energy: -646.276282
where:
bonds (distance) C4'-P energy: -107.011
bonds (distance) P-C4' energy: -124.444
flat angles C4'-P-C4' energy: -142.788
flat angles P-C4'-P energy: -102.477
tors. eta vs tors. theta energy: -169.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2001.264889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.264889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.264889 (E_RNA)
where:
Base-Base interactions energy: -1370.120
where: short stacking energy: -549.146
Base-Backbone interact. energy: -3.391
local terms energy: -627.754281
where:
bonds (distance) C4'-P energy: -128.986
bonds (distance) P-C4' energy: -109.625
flat angles C4'-P-C4' energy: -131.977
flat angles P-C4'-P energy: -98.954
tors. eta vs tors. theta energy: -158.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1802.452950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.452950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.452950 (E_RNA)
where:
Base-Base interactions energy: -1230.257
where: short stacking energy: -505.283
Base-Backbone interact. energy: -0.472
local terms energy: -571.724331
where:
bonds (distance) C4'-P energy: -105.140
bonds (distance) P-C4' energy: -110.263
flat angles C4'-P-C4' energy: -135.344
flat angles P-C4'-P energy: -71.068
tors. eta vs tors. theta energy: -149.909
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: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1693.002502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.002502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.002502 (E_RNA)
where:
Base-Base interactions energy: -1135.103
where: short stacking energy: -473.225
Base-Backbone interact. energy: -2.520
local terms energy: -555.379482
where:
bonds (distance) C4'-P energy: -110.003
bonds (distance) P-C4' energy: -114.902
flat angles C4'-P-C4' energy: -118.408
flat angles P-C4'-P energy: -78.739
tors. eta vs tors. theta energy: -133.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1504.412332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.412332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.412332 (E_RNA)
where:
Base-Base interactions energy: -966.969
where: short stacking energy: -408.019
Base-Backbone interact. energy: 0.846
local terms energy: -538.288993
where:
bonds (distance) C4'-P energy: -95.537
bonds (distance) P-C4' energy: -114.871
flat angles C4'-P-C4' energy: -132.621
flat angles P-C4'-P energy: -81.360
tors. eta vs tors. theta energy: -113.901
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: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -984.588348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.588348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.588348 (E_RNA)
where:
Base-Base interactions energy: -563.425
where: short stacking energy: -276.257
Base-Backbone interact. energy: -3.043
local terms energy: -418.120874
where:
bonds (distance) C4'-P energy: -95.996
bonds (distance) P-C4' energy: -116.018
flat angles C4'-P-C4' energy: -91.749
flat angles P-C4'-P energy: -65.945
tors. eta vs tors. theta energy: -48.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -641.825692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.825692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.825692 (E_RNA)
where:
Base-Base interactions energy: -279.078
where: short stacking energy: -163.838
Base-Backbone interact. energy: -1.136
local terms energy: -361.611962
where:
bonds (distance) C4'-P energy: -88.308
bonds (distance) P-C4' energy: -110.219
flat angles C4'-P-C4' energy: -96.718
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -438.780680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.780680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.780680 (E_RNA)
where:
Base-Base interactions energy: -121.014
where: short stacking energy: -112.688
Base-Backbone interact. energy: -0.598
local terms energy: -317.169418
where:
bonds (distance) C4'-P energy: -107.781
bonds (distance) P-C4' energy: -97.116
flat angles C4'-P-C4' energy: -93.677
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: 26.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2301.912815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.912815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.912815 (E_RNA)
where:
Base-Base interactions energy: -1637.972
where: short stacking energy: -649.204
Base-Backbone interact. energy: -0.990
local terms energy: -662.950674
where:
bonds (distance) C4'-P energy: -123.348
bonds (distance) P-C4' energy: -121.633
flat angles C4'-P-C4' energy: -140.952
flat angles P-C4'-P energy: -95.613
tors. eta vs tors. theta energy: -181.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2148.317536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.317536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.317536 (E_RNA)
where:
Base-Base interactions energy: -1498.775
where: short stacking energy: -592.304
Base-Backbone interact. energy: -0.280
local terms energy: -649.262553
where:
bonds (distance) C4'-P energy: -126.326
bonds (distance) P-C4' energy: -116.037
flat angles C4'-P-C4' energy: -137.419
flat angles P-C4'-P energy: -97.047
tors. eta vs tors. theta energy: -172.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2042.723529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.723529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.723529 (E_RNA)
where:
Base-Base interactions energy: -1418.991
where: short stacking energy: -555.921
Base-Backbone interact. energy: -3.894
local terms energy: -619.838139
where:
bonds (distance) C4'-P energy: -112.616
bonds (distance) P-C4' energy: -115.765
flat angles C4'-P-C4' energy: -138.084
flat angles P-C4'-P energy: -87.833
tors. eta vs tors. theta energy: -165.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2042.938359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.938359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.938359 (E_RNA)
where:
Base-Base interactions energy: -1390.458
where: short stacking energy: -538.769
Base-Backbone interact. energy: -2.651
local terms energy: -649.828795
where:
bonds (distance) C4'-P energy: -117.107
bonds (distance) P-C4' energy: -129.681
flat angles C4'-P-C4' energy: -138.589
flat angles P-C4'-P energy: -99.249
tors. eta vs tors. theta energy: -165.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1836.917040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.917040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.917040 (E_RNA)
where:
Base-Base interactions energy: -1257.164
where: short stacking energy: -508.390
Base-Backbone interact. energy: -2.298
local terms energy: -577.454583
where:
bonds (distance) C4'-P energy: -97.031
bonds (distance) P-C4' energy: -123.371
flat angles C4'-P-C4' energy: -124.142
flat angles P-C4'-P energy: -86.487
tors. eta vs tors. theta energy: -146.424
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1724.265622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.265622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.265622 (E_RNA)
where:
Base-Base interactions energy: -1170.293
where: short stacking energy: -495.165
Base-Backbone interact. energy: -0.305
local terms energy: -553.667986
where:
bonds (distance) C4'-P energy: -108.763
bonds (distance) P-C4' energy: -118.173
flat angles C4'-P-C4' energy: -135.073
flat angles P-C4'-P energy: -66.562
tors. eta vs tors. theta energy: -125.097
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: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1507.973687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.973687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.973687 (E_RNA)
where:
Base-Base interactions energy: -958.843
where: short stacking energy: -407.837
Base-Backbone interact. energy: 3.358
local terms energy: -552.489049
where:
bonds (distance) C4'-P energy: -118.283
bonds (distance) P-C4' energy: -124.609
flat angles C4'-P-C4' energy: -127.710
flat angles P-C4'-P energy: -73.190
tors. eta vs tors. theta energy: -108.697
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: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1077.264759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.264759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.264759 (E_RNA)
where:
Base-Base interactions energy: -648.253
where: short stacking energy: -281.896
Base-Backbone interact. energy: -1.628
local terms energy: -427.383660
where:
bonds (distance) C4'-P energy: -99.202
bonds (distance) P-C4' energy: -117.914
flat angles C4'-P-C4' energy: -104.353
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -70.285
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: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -685.817447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.817447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.817447 (E_RNA)
where:
Base-Base interactions energy: -306.348
where: short stacking energy: -167.865
Base-Backbone interact. energy: 0.705
local terms energy: -380.174018
where:
bonds (distance) C4'-P energy: -96.161
bonds (distance) P-C4' energy: -127.657
flat angles C4'-P-C4' energy: -87.954
flat angles P-C4'-P energy: -73.695
tors. eta vs tors. theta energy: 5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -464.506117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.506117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.506117 (E_RNA)
where:
Base-Base interactions energy: -134.486
where: short stacking energy: -115.607
Base-Backbone interact. energy: 1.002
local terms energy: -331.021935
where:
bonds (distance) C4'-P energy: -95.061
bonds (distance) P-C4' energy: -115.901
flat angles C4'-P-C4' energy: -77.411
flat angles P-C4'-P energy: -62.509
tors. eta vs tors. theta energy: 19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2302.284328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.284328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.284328 (E_RNA)
where:
Base-Base interactions energy: -1637.886
where: short stacking energy: -664.186
Base-Backbone interact. energy: 0.119
local terms energy: -664.517170
where:
bonds (distance) C4'-P energy: -126.227
bonds (distance) P-C4' energy: -119.373
flat angles C4'-P-C4' energy: -140.986
flat angles P-C4'-P energy: -92.794
tors. eta vs tors. theta energy: -185.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2158.063051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.063051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.063051 (E_RNA)
where:
Base-Base interactions energy: -1497.734
where: short stacking energy: -612.938
Base-Backbone interact. energy: -0.740
local terms energy: -659.588969
where:
bonds (distance) C4'-P energy: -131.306
bonds (distance) P-C4' energy: -125.036
flat angles C4'-P-C4' energy: -131.571
flat angles P-C4'-P energy: -83.612
tors. eta vs tors. theta energy: -188.064
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2082.733236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.733236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.733236 (E_RNA)
where:
Base-Base interactions energy: -1467.106
where: short stacking energy: -567.284
Base-Backbone interact. energy: -0.438
local terms energy: -615.188921
where:
bonds (distance) C4'-P energy: -111.695
bonds (distance) P-C4' energy: -110.643
flat angles C4'-P-C4' energy: -123.899
flat angles P-C4'-P energy: -101.237
tors. eta vs tors. theta energy: -167.715
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: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1949.957621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.957621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.957621 (E_RNA)
where:
Base-Base interactions energy: -1321.988
where: short stacking energy: -527.101
Base-Backbone interact. energy: -1.351
local terms energy: -626.619009
where:
bonds (distance) C4'-P energy: -110.273
bonds (distance) P-C4' energy: -116.365
flat angles C4'-P-C4' energy: -138.197
flat angles P-C4'-P energy: -87.564
tors. eta vs tors. theta energy: -174.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1874.199286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.199286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.199286 (E_RNA)
where:
Base-Base interactions energy: -1274.250
where: short stacking energy: -524.607
Base-Backbone interact. energy: 6.019
local terms energy: -605.967901
where:
bonds (distance) C4'-P energy: -107.662
bonds (distance) P-C4' energy: -129.919
flat angles C4'-P-C4' energy: -124.027
flat angles P-C4'-P energy: -81.123
tors. eta vs tors. theta energy: -163.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1667.660090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.660090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.660090 (E_RNA)
where:
Base-Base interactions energy: -1107.965
where: short stacking energy: -436.388
Base-Backbone interact. energy: -1.661
local terms energy: -558.033502
where:
bonds (distance) C4'-P energy: -119.229
bonds (distance) P-C4' energy: -113.384
flat angles C4'-P-C4' energy: -118.844
flat angles P-C4'-P energy: -82.401
tors. eta vs tors. theta energy: -124.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1533.273173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.273173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.273173 (E_RNA)
where:
Base-Base interactions energy: -1019.729
where: short stacking energy: -436.308
Base-Backbone interact. energy: 0.084
local terms energy: -513.627654
where:
bonds (distance) C4'-P energy: -90.041
bonds (distance) P-C4' energy: -105.252
flat angles C4'-P-C4' energy: -111.470
flat angles P-C4'-P energy: -83.502
tors. eta vs tors. theta energy: -123.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1036.970258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.970258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.970258 (E_RNA)
where:
Base-Base interactions energy: -626.125
where: short stacking energy: -286.770
Base-Backbone interact. energy: -3.263
local terms energy: -407.582037
where:
bonds (distance) C4'-P energy: -97.648
bonds (distance) P-C4' energy: -94.571
flat angles C4'-P-C4' energy: -93.659
flat angles P-C4'-P energy: -59.593
tors. eta vs tors. theta energy: -62.111
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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -644.662664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.662664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.662664 (E_RNA)
where:
Base-Base interactions energy: -291.273
where: short stacking energy: -183.952
Base-Backbone interact. energy: 2.288
local terms energy: -355.678001
where:
bonds (distance) C4'-P energy: -93.549
bonds (distance) P-C4' energy: -108.934
flat angles C4'-P-C4' energy: -98.411
flat angles P-C4'-P energy: -46.967
tors. eta vs tors. theta energy: -7.817
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: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -444.121025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.121025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.121025 (E_RNA)
where:
Base-Base interactions energy: -113.690
where: short stacking energy: -97.059
Base-Backbone interact. energy: 7.969
local terms energy: -338.400239
where:
bonds (distance) C4'-P energy: -111.536
bonds (distance) P-C4' energy: -116.802
flat angles C4'-P-C4' energy: -71.314
flat angles P-C4'-P energy: -52.457
tors. eta vs tors. theta energy: 13.708
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: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2292.750093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.750093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.750093 (E_RNA)
where:
Base-Base interactions energy: -1630.749
where: short stacking energy: -639.974
Base-Backbone interact. energy: -2.852
local terms energy: -659.149557
where:
bonds (distance) C4'-P energy: -121.488
bonds (distance) P-C4' energy: -131.057
flat angles C4'-P-C4' energy: -139.169
flat angles P-C4'-P energy: -83.675
tors. eta vs tors. theta energy: -183.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2203.738786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.738786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.738786 (E_RNA)
where:
Base-Base interactions energy: -1556.466
where: short stacking energy: -616.760
Base-Backbone interact. energy: -4.319
local terms energy: -642.953336
where:
bonds (distance) C4'-P energy: -116.641
bonds (distance) P-C4' energy: -121.670
flat angles C4'-P-C4' energy: -150.598
flat angles P-C4'-P energy: -82.975
tors. eta vs tors. theta energy: -171.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2089.532506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.532506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.532506 (E_RNA)
where:
Base-Base interactions energy: -1469.948
where: short stacking energy: -589.227
Base-Backbone interact. energy: 0.139
local terms energy: -619.722972
where:
bonds (distance) C4'-P energy: -115.676
bonds (distance) P-C4' energy: -120.366
flat angles C4'-P-C4' energy: -125.936
flat angles P-C4'-P energy: -88.949
tors. eta vs tors. theta energy: -168.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1967.370243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.370243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.370243 (E_RNA)
where:
Base-Base interactions energy: -1346.154
where: short stacking energy: -571.930
Base-Backbone interact. energy: -2.254
local terms energy: -618.961479
where:
bonds (distance) C4'-P energy: -121.230
bonds (distance) P-C4' energy: -96.273
flat angles C4'-P-C4' energy: -144.360
flat angles P-C4'-P energy: -86.215
tors. eta vs tors. theta energy: -170.884
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: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1817.886550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.886550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.886550 (E_RNA)
where:
Base-Base interactions energy: -1225.394
where: short stacking energy: -511.638
Base-Backbone interact. energy: -2.571
local terms energy: -589.922320
where:
bonds (distance) C4'-P energy: -99.478
bonds (distance) P-C4' energy: -112.106
flat angles C4'-P-C4' energy: -126.554
flat angles P-C4'-P energy: -94.922
tors. eta vs tors. theta energy: -156.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1690.783229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.783229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.783229 (E_RNA)
where:
Base-Base interactions energy: -1156.083
where: short stacking energy: -480.922
Base-Backbone interact. energy: 0.816
local terms energy: -535.516197
where:
bonds (distance) C4'-P energy: -101.427
bonds (distance) P-C4' energy: -103.895
flat angles C4'-P-C4' energy: -118.910
flat angles P-C4'-P energy: -79.051
tors. eta vs tors. theta energy: -132.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1593.363301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.363301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.363301 (E_RNA)
where:
Base-Base interactions energy: -1065.927
where: short stacking energy: -429.461
Base-Backbone interact. energy: 0.195
local terms energy: -527.631663
where:
bonds (distance) C4'-P energy: -116.898
bonds (distance) P-C4' energy: -107.787
flat angles C4'-P-C4' energy: -112.702
flat angles P-C4'-P energy: -76.189
tors. eta vs tors. theta energy: -114.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1044.194761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.194761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.194761 (E_RNA)
where:
Base-Base interactions energy: -593.141
where: short stacking energy: -267.148
Base-Backbone interact. energy: -2.680
local terms energy: -448.373837
where:
bonds (distance) C4'-P energy: -95.887
bonds (distance) P-C4' energy: -109.564
flat angles C4'-P-C4' energy: -113.852
flat angles P-C4'-P energy: -71.711
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: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -710.051804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.051804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.051804 (E_RNA)
where:
Base-Base interactions energy: -324.727
where: short stacking energy: -176.510
Base-Backbone interact. energy: -2.226
local terms energy: -383.098340
where:
bonds (distance) C4'-P energy: -94.362
bonds (distance) P-C4' energy: -120.594
flat angles C4'-P-C4' energy: -94.531
flat angles P-C4'-P energy: -66.839
tors. eta vs tors. theta energy: -6.772
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: 207
Temperature: 1.350000
Total energy: -465.058085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.058085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.058085 (E_RNA)
where:
Base-Base interactions energy: -155.776
where: short stacking energy: -133.576
Base-Backbone interact. energy: -1.521
local terms energy: -307.760817
where:
bonds (distance) C4'-P energy: -79.611
bonds (distance) P-C4' energy: -113.934
flat angles C4'-P-C4' energy: -94.892
flat angles P-C4'-P energy: -50.221
tors. eta vs tors. theta energy: 30.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2270.035206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.035206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.035206 (E_RNA)
where:
Base-Base interactions energy: -1594.086
where: short stacking energy: -640.503
Base-Backbone interact. energy: -0.630
local terms energy: -675.319001
where:
bonds (distance) C4'-P energy: -133.842
bonds (distance) P-C4' energy: -121.981
flat angles C4'-P-C4' energy: -137.400
flat angles P-C4'-P energy: -94.788
tors. eta vs tors. theta energy: -187.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2168.047624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.047624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.047624 (E_RNA)
where:
Base-Base interactions energy: -1515.638
where: short stacking energy: -579.699
Base-Backbone interact. energy: -4.045
local terms energy: -648.364803
where:
bonds (distance) C4'-P energy: -120.764
bonds (distance) P-C4' energy: -117.591
flat angles C4'-P-C4' energy: -138.066
flat angles P-C4'-P energy: -96.156
tors. eta vs tors. theta energy: -175.788
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: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2077.981403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.981403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.981403 (E_RNA)
where:
Base-Base interactions energy: -1466.284
where: short stacking energy: -572.469
Base-Backbone interact. energy: 2.029
local terms energy: -613.725734
where:
bonds (distance) C4'-P energy: -109.096
bonds (distance) P-C4' energy: -115.738
flat angles C4'-P-C4' energy: -139.383
flat angles P-C4'-P energy: -85.897
tors. eta vs tors. theta energy: -163.611
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: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1991.698904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.698904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.698904 (E_RNA)
where:
Base-Base interactions energy: -1383.258
where: short stacking energy: -565.929
Base-Backbone interact. energy: 3.481
local terms energy: -611.922212
where:
bonds (distance) C4'-P energy: -127.392
bonds (distance) P-C4' energy: -124.259
flat angles C4'-P-C4' energy: -117.218
flat angles P-C4'-P energy: -72.057
tors. eta vs tors. theta energy: -170.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1804.043695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.043695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.043695 (E_RNA)
where:
Base-Base interactions energy: -1205.236
where: short stacking energy: -506.258
Base-Backbone interact. energy: -2.203
local terms energy: -596.605628
where:
bonds (distance) C4'-P energy: -117.362
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -84.489
tors. eta vs tors. theta energy: -151.165
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1672.187786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.187786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.187786 (E_RNA)
where:
Base-Base interactions energy: -1124.584
where: short stacking energy: -472.836
Base-Backbone interact. energy: -3.279
local terms energy: -544.324128
where:
bonds (distance) C4'-P energy: -101.824
bonds (distance) P-C4' energy: -121.218
flat angles C4'-P-C4' energy: -115.916
flat angles P-C4'-P energy: -87.619
tors. eta vs tors. theta energy: -117.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1515.641271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.641271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.641271 (E_RNA)
where:
Base-Base interactions energy: -996.481
where: short stacking energy: -396.060
Base-Backbone interact. energy: -1.433
local terms energy: -517.727401
where:
bonds (distance) C4'-P energy: -110.750
bonds (distance) P-C4' energy: -107.027
flat angles C4'-P-C4' energy: -120.749
flat angles P-C4'-P energy: -76.795
tors. eta vs tors. theta energy: -102.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -983.768261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.768261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.768261 (E_RNA)
where:
Base-Base interactions energy: -572.252
where: short stacking energy: -251.601
Base-Backbone interact. energy: 1.048
local terms energy: -412.564215
where:
bonds (distance) C4'-P energy: -101.643
bonds (distance) P-C4' energy: -114.000
flat angles C4'-P-C4' energy: -103.655
flat angles P-C4'-P energy: -51.978
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -655.624328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.624328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.624328 (E_RNA)
where:
Base-Base interactions energy: -305.335
where: short stacking energy: -165.502
Base-Backbone interact. energy: -1.849
local terms energy: -348.440118
where:
bonds (distance) C4'-P energy: -99.076
bonds (distance) P-C4' energy: -118.044
flat angles C4'-P-C4' energy: -89.424
flat angles P-C4'-P energy: -52.256
tors. eta vs tors. theta energy: 10.360
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: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -450.675654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.675654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.675654 (E_RNA)
where:
Base-Base interactions energy: -144.295
where: short stacking energy: -134.062
Base-Backbone interact. energy: 3.919
local terms energy: -310.299018
where:
bonds (distance) C4'-P energy: -97.053
bonds (distance) P-C4' energy: -104.536
flat angles C4'-P-C4' energy: -75.742
flat angles P-C4'-P energy: -61.237
tors. eta vs tors. theta energy: 28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2285.441893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.441893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.441893 (E_RNA)
where:
Base-Base interactions energy: -1607.356
where: short stacking energy: -627.836
Base-Backbone interact. energy: -0.305
local terms energy: -677.780761
where:
bonds (distance) C4'-P energy: -128.396
bonds (distance) P-C4' energy: -137.982
flat angles C4'-P-C4' energy: -141.480
flat angles P-C4'-P energy: -88.349
tors. eta vs tors. theta energy: -181.573
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: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2199.045821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.045821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.045821 (E_RNA)
where:
Base-Base interactions energy: -1540.489
where: short stacking energy: -604.790
Base-Backbone interact. energy: -2.877
local terms energy: -655.680548
where:
bonds (distance) C4'-P energy: -127.448
bonds (distance) P-C4' energy: -118.001
flat angles C4'-P-C4' energy: -131.782
flat angles P-C4'-P energy: -99.981
tors. eta vs tors. theta energy: -178.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2069.125038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.125038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.125038 (E_RNA)
where:
Base-Base interactions energy: -1441.185
where: short stacking energy: -603.562
Base-Backbone interact. energy: -1.206
local terms energy: -626.733820
where:
bonds (distance) C4'-P energy: -105.351
bonds (distance) P-C4' energy: -116.489
flat angles C4'-P-C4' energy: -137.437
flat angles P-C4'-P energy: -86.545
tors. eta vs tors. theta energy: -180.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2004.109606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.109606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.109606 (E_RNA)
where:
Base-Base interactions energy: -1378.090
where: short stacking energy: -539.960
Base-Backbone interact. energy: 3.354
local terms energy: -629.374294
where:
bonds (distance) C4'-P energy: -122.445
bonds (distance) P-C4' energy: -117.686
flat angles C4'-P-C4' energy: -131.794
flat angles P-C4'-P energy: -88.018
tors. eta vs tors. theta energy: -169.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1808.930436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.930436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.930436 (E_RNA)
where:
Base-Base interactions energy: -1239.270
where: short stacking energy: -493.638
Base-Backbone interact. energy: 2.153
local terms energy: -571.814017
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -108.382
flat angles C4'-P-C4' energy: -136.037
flat angles P-C4'-P energy: -83.054
tors. eta vs tors. theta energy: -139.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1684.716848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.716848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.716848 (E_RNA)
where:
Base-Base interactions energy: -1135.275
where: short stacking energy: -475.304
Base-Backbone interact. energy: -2.940
local terms energy: -546.501668
where:
bonds (distance) C4'-P energy: -115.428
bonds (distance) P-C4' energy: -115.425
flat angles C4'-P-C4' energy: -112.283
flat angles P-C4'-P energy: -82.808
tors. eta vs tors. theta energy: -120.557
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: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1498.305733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.305733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.305733 (E_RNA)
where:
Base-Base interactions energy: -986.080
where: short stacking energy: -430.081
Base-Backbone interact. energy: -1.630
local terms energy: -510.595593
where:
bonds (distance) C4'-P energy: -103.222
bonds (distance) P-C4' energy: -112.623
flat angles C4'-P-C4' energy: -112.454
flat angles P-C4'-P energy: -75.183
tors. eta vs tors. theta energy: -107.114
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: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -958.276254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.276254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.276254 (E_RNA)
where:
Base-Base interactions energy: -533.134
where: short stacking energy: -262.437
Base-Backbone interact. energy: -2.111
local terms energy: -423.031526
where:
bonds (distance) C4'-P energy: -105.802
bonds (distance) P-C4' energy: -110.470
flat angles C4'-P-C4' energy: -98.947
flat angles P-C4'-P energy: -67.061
tors. eta vs tors. theta energy: -40.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -651.784472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.784472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.784472 (E_RNA)
where:
Base-Base interactions energy: -320.133
where: short stacking energy: -177.023
Base-Backbone interact. energy: 1.896
local terms energy: -333.547707
where:
bonds (distance) C4'-P energy: -82.959
bonds (distance) P-C4' energy: -113.007
flat angles C4'-P-C4' energy: -77.742
flat angles P-C4'-P energy: -54.145
tors. eta vs tors. theta energy: -5.694
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: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -431.063343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.063343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.063343 (E_RNA)
where:
Base-Base interactions energy: -127.918
where: short stacking energy: -112.571
Base-Backbone interact. energy: 0.959
local terms energy: -304.104341
where:
bonds (distance) C4'-P energy: -112.095
bonds (distance) P-C4' energy: -98.742
flat angles C4'-P-C4' energy: -83.808
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: 35.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2304.620679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.620679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.620679 (E_RNA)
where:
Base-Base interactions energy: -1631.470
where: short stacking energy: -634.818
Base-Backbone interact. energy: -2.988
local terms energy: -670.162371
where:
bonds (distance) C4'-P energy: -114.941
bonds (distance) P-C4' energy: -128.834
flat angles C4'-P-C4' energy: -151.375
flat angles P-C4'-P energy: -80.423
tors. eta vs tors. theta energy: -194.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2175.220350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.220350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.220350 (E_RNA)
where:
Base-Base interactions energy: -1556.370
where: short stacking energy: -603.075
Base-Backbone interact. energy: -2.478
local terms energy: -616.372468
where:
bonds (distance) C4'-P energy: -117.500
bonds (distance) P-C4' energy: -118.338
flat angles C4'-P-C4' energy: -127.148
flat angles P-C4'-P energy: -88.137
tors. eta vs tors. theta energy: -165.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2042.880106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.880106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.880106 (E_RNA)
where:
Base-Base interactions energy: -1425.518
where: short stacking energy: -574.648
Base-Backbone interact. energy: 1.639
local terms energy: -619.001033
where:
bonds (distance) C4'-P energy: -125.951
bonds (distance) P-C4' energy: -112.319
flat angles C4'-P-C4' energy: -128.420
flat angles P-C4'-P energy: -86.042
tors. eta vs tors. theta energy: -166.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1958.715913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.715913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.715913 (E_RNA)
where:
Base-Base interactions energy: -1361.735
where: short stacking energy: -550.389
Base-Backbone interact. energy: -0.827
local terms energy: -596.153614
where:
bonds (distance) C4'-P energy: -111.102
bonds (distance) P-C4' energy: -101.859
flat angles C4'-P-C4' energy: -126.895
flat angles P-C4'-P energy: -87.044
tors. eta vs tors. theta energy: -169.254
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: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1838.694867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.694867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.694867 (E_RNA)
where:
Base-Base interactions energy: -1264.237
where: short stacking energy: -514.726
Base-Backbone interact. energy: 1.223
local terms energy: -575.680510
where:
bonds (distance) C4'-P energy: -112.494
bonds (distance) P-C4' energy: -110.037
flat angles C4'-P-C4' energy: -121.227
flat angles P-C4'-P energy: -81.929
tors. eta vs tors. theta energy: -149.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1664.473180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.473180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.473180 (E_RNA)
where:
Base-Base interactions energy: -1132.423
where: short stacking energy: -442.220
Base-Backbone interact. energy: 0.217
local terms energy: -532.267818
where:
bonds (distance) C4'-P energy: -100.392
bonds (distance) P-C4' energy: -110.214
flat angles C4'-P-C4' energy: -120.790
flat angles P-C4'-P energy: -82.445
tors. eta vs tors. theta energy: -118.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1589.123137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.123137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.123137 (E_RNA)
where:
Base-Base interactions energy: -1052.884
where: short stacking energy: -432.745
Base-Backbone interact. energy: -1.496
local terms energy: -534.743363
where:
bonds (distance) C4'-P energy: -106.337
bonds (distance) P-C4' energy: -113.201
flat angles C4'-P-C4' energy: -119.391
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -114.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1002.343415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.343415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.343415 (E_RNA)
where:
Base-Base interactions energy: -564.468
where: short stacking energy: -253.885
Base-Backbone interact. energy: -2.906
local terms energy: -434.969720
where:
bonds (distance) C4'-P energy: -101.345
bonds (distance) P-C4' energy: -108.172
flat angles C4'-P-C4' energy: -109.178
flat angles P-C4'-P energy: -66.292
tors. eta vs tors. theta energy: -49.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -624.689020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.689020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.689020 (E_RNA)
where:
Base-Base interactions energy: -269.049
where: short stacking energy: -175.242
Base-Backbone interact. energy: 3.146
local terms energy: -358.786018
where:
bonds (distance) C4'-P energy: -108.849
bonds (distance) P-C4' energy: -104.772
flat angles C4'-P-C4' energy: -95.986
flat angles P-C4'-P energy: -66.327
tors. eta vs tors. theta energy: 17.148
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: 210
Temperature: 1.350000
Total energy: -449.116044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.116044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.116044 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -111.580
Base-Backbone interact. energy: -2.542
local terms energy: -311.107794
where:
bonds (distance) C4'-P energy: -96.625
bonds (distance) P-C4' energy: -96.173
flat angles C4'-P-C4' energy: -79.931
flat angles P-C4'-P energy: -59.678
tors. eta vs tors. theta energy: 21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2302.764784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.764784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.764784 (E_RNA)
where:
Base-Base interactions energy: -1616.619
where: short stacking energy: -639.786
Base-Backbone interact. energy: -3.232
local terms energy: -682.913028
where:
bonds (distance) C4'-P energy: -135.890
bonds (distance) P-C4' energy: -125.846
flat angles C4'-P-C4' energy: -144.959
flat angles P-C4'-P energy: -87.160
tors. eta vs tors. theta energy: -189.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2198.992709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.992709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.992709 (E_RNA)
where:
Base-Base interactions energy: -1560.989
where: short stacking energy: -609.882
Base-Backbone interact. energy: -2.400
local terms energy: -635.603417
where:
bonds (distance) C4'-P energy: -115.732
bonds (distance) P-C4' energy: -116.086
flat angles C4'-P-C4' energy: -140.817
flat angles P-C4'-P energy: -87.435
tors. eta vs tors. theta energy: -175.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2058.989121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.989121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.989121 (E_RNA)
where:
Base-Base interactions energy: -1443.138
where: short stacking energy: -578.335
Base-Backbone interact. energy: -1.189
local terms energy: -614.662132
where:
bonds (distance) C4'-P energy: -104.824
bonds (distance) P-C4' energy: -131.160
flat angles C4'-P-C4' energy: -141.140
flat angles P-C4'-P energy: -72.766
tors. eta vs tors. theta energy: -164.772
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: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2003.544795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.544795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.544795 (E_RNA)
where:
Base-Base interactions energy: -1382.511
where: short stacking energy: -567.003
Base-Backbone interact. energy: -2.943
local terms energy: -618.090748
where:
bonds (distance) C4'-P energy: -99.845
bonds (distance) P-C4' energy: -124.553
flat angles C4'-P-C4' energy: -125.359
flat angles P-C4'-P energy: -85.295
tors. eta vs tors. theta energy: -183.039
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: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1855.722152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.722152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.722152 (E_RNA)
where:
Base-Base interactions energy: -1274.698
where: short stacking energy: -536.086
Base-Backbone interact. energy: -0.607
local terms energy: -580.417746
where:
bonds (distance) C4'-P energy: -126.383
bonds (distance) P-C4' energy: -99.611
flat angles C4'-P-C4' energy: -126.666
flat angles P-C4'-P energy: -77.814
tors. eta vs tors. theta energy: -149.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1707.323918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.323918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.323918 (E_RNA)
where:
Base-Base interactions energy: -1144.784
where: short stacking energy: -485.353
Base-Backbone interact. energy: -1.611
local terms energy: -560.929153
where:
bonds (distance) C4'-P energy: -102.679
bonds (distance) P-C4' energy: -118.325
flat angles C4'-P-C4' energy: -125.000
flat angles P-C4'-P energy: -87.263
tors. eta vs tors. theta energy: -127.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1566.616298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.616298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.616298 (E_RNA)
where:
Base-Base interactions energy: -1036.354
where: short stacking energy: -446.244
Base-Backbone interact. energy: -2.121
local terms energy: -528.141794
where:
bonds (distance) C4'-P energy: -110.797
bonds (distance) P-C4' energy: -110.805
flat angles C4'-P-C4' energy: -111.883
flat angles P-C4'-P energy: -70.005
tors. eta vs tors. theta energy: -124.651
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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -989.204189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.204189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.204189 (E_RNA)
where:
Base-Base interactions energy: -589.021
where: short stacking energy: -276.439
Base-Backbone interact. energy: -0.541
local terms energy: -399.641517
where:
bonds (distance) C4'-P energy: -108.514
bonds (distance) P-C4' energy: -87.213
flat angles C4'-P-C4' energy: -99.683
flat angles P-C4'-P energy: -69.155
tors. eta vs tors. theta energy: -35.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -622.567106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.567106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.567106 (E_RNA)
where:
Base-Base interactions energy: -269.560
where: short stacking energy: -172.370
Base-Backbone interact. energy: 1.572
local terms energy: -354.579347
where:
bonds (distance) C4'-P energy: -101.001
bonds (distance) P-C4' energy: -111.472
flat angles C4'-P-C4' energy: -87.672
flat angles P-C4'-P energy: -59.506
tors. eta vs tors. theta energy: 5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -442.698144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.698144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.698144 (E_RNA)
where:
Base-Base interactions energy: -129.146
where: short stacking energy: -89.906
Base-Backbone interact. energy: -1.401
local terms energy: -312.150884
where:
bonds (distance) C4'-P energy: -102.511
bonds (distance) P-C4' energy: -107.793
flat angles C4'-P-C4' energy: -73.231
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: 25.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2303.007610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.007610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.007610 (E_RNA)
where:
Base-Base interactions energy: -1617.595
where: short stacking energy: -643.778
Base-Backbone interact. energy: -2.781
local terms energy: -682.631603
where:
bonds (distance) C4'-P energy: -114.039
bonds (distance) P-C4' energy: -134.208
flat angles C4'-P-C4' energy: -146.364
flat angles P-C4'-P energy: -98.837
tors. eta vs tors. theta energy: -189.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2174.432202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.432202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.432202 (E_RNA)
where:
Base-Base interactions energy: -1528.674
where: short stacking energy: -618.789
Base-Backbone interact. energy: -4.208
local terms energy: -641.549497
where:
bonds (distance) C4'-P energy: -125.041
bonds (distance) P-C4' energy: -122.656
flat angles C4'-P-C4' energy: -125.031
flat angles P-C4'-P energy: -91.555
tors. eta vs tors. theta energy: -177.267
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: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2022.872554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.872554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.872554 (E_RNA)
where:
Base-Base interactions energy: -1409.354
where: short stacking energy: -566.074
Base-Backbone interact. energy: -5.315
local terms energy: -608.202790
where:
bonds (distance) C4'-P energy: -104.367
bonds (distance) P-C4' energy: -119.144
flat angles C4'-P-C4' energy: -126.781
flat angles P-C4'-P energy: -91.392
tors. eta vs tors. theta energy: -166.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1973.260120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.260120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.260120 (E_RNA)
where:
Base-Base interactions energy: -1365.792
where: short stacking energy: -546.600
Base-Backbone interact. energy: -4.950
local terms energy: -602.518095
where:
bonds (distance) C4'-P energy: -114.210
bonds (distance) P-C4' energy: -102.702
flat angles C4'-P-C4' energy: -127.208
flat angles P-C4'-P energy: -80.552
tors. eta vs tors. theta energy: -177.846
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: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1848.625615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.625615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.625615 (E_RNA)
where:
Base-Base interactions energy: -1267.450
where: short stacking energy: -531.366
Base-Backbone interact. energy: 0.212
local terms energy: -581.388058
where:
bonds (distance) C4'-P energy: -111.316
bonds (distance) P-C4' energy: -117.211
flat angles C4'-P-C4' energy: -115.753
flat angles P-C4'-P energy: -76.823
tors. eta vs tors. theta energy: -160.285
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: 212
Temperature: 1.150000
Total energy: -1688.595351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.595351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.595351 (E_RNA)
where:
Base-Base interactions energy: -1126.218
where: short stacking energy: -470.138
Base-Backbone interact. energy: 1.898
local terms energy: -564.275717
where:
bonds (distance) C4'-P energy: -103.790
bonds (distance) P-C4' energy: -119.119
flat angles C4'-P-C4' energy: -114.983
flat angles P-C4'-P energy: -92.486
tors. eta vs tors. theta energy: -133.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1481.199929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.199929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.199929 (E_RNA)
where:
Base-Base interactions energy: -979.912
where: short stacking energy: -382.807
Base-Backbone interact. energy: 1.503
local terms energy: -502.790512
where:
bonds (distance) C4'-P energy: -105.701
bonds (distance) P-C4' energy: -99.841
flat angles C4'-P-C4' energy: -111.811
flat angles P-C4'-P energy: -72.999
tors. eta vs tors. theta energy: -112.438
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -967.305289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.305289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.305289 (E_RNA)
where:
Base-Base interactions energy: -568.417
where: short stacking energy: -261.708
Base-Backbone interact. energy: 5.246
local terms energy: -404.134435
where:
bonds (distance) C4'-P energy: -99.043
bonds (distance) P-C4' energy: -97.853
flat angles C4'-P-C4' energy: -117.958
flat angles P-C4'-P energy: -67.578
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -626.022701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.022701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.022701 (E_RNA)
where:
Base-Base interactions energy: -284.861
where: short stacking energy: -180.362
Base-Backbone interact. energy: -1.104
local terms energy: -340.057010
where:
bonds (distance) C4'-P energy: -86.060
bonds (distance) P-C4' energy: -96.591
flat angles C4'-P-C4' energy: -96.337
flat angles P-C4'-P energy: -67.469
tors. eta vs tors. theta energy: 6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -456.822096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.822096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.822096 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -107.171
Base-Backbone interact. energy: 1.978
local terms energy: -312.818680
where:
bonds (distance) C4'-P energy: -90.921
bonds (distance) P-C4' energy: -115.022
flat angles C4'-P-C4' energy: -93.802
flat angles P-C4'-P energy: -55.958
tors. eta vs tors. theta energy: 42.883
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: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2304.041190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.041190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.041190 (E_RNA)
where:
Base-Base interactions energy: -1630.771
where: short stacking energy: -649.415
Base-Backbone interact. energy: -0.754
local terms energy: -672.515757
where:
bonds (distance) C4'-P energy: -124.127
bonds (distance) P-C4' energy: -123.430
flat angles C4'-P-C4' energy: -145.492
flat angles P-C4'-P energy: -87.964
tors. eta vs tors. theta energy: -191.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2159.324197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.324197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.324197 (E_RNA)
where:
Base-Base interactions energy: -1504.741
where: short stacking energy: -577.915
Base-Backbone interact. energy: -3.454
local terms energy: -651.129044
where:
bonds (distance) C4'-P energy: -111.753
bonds (distance) P-C4' energy: -118.959
flat angles C4'-P-C4' energy: -133.231
flat angles P-C4'-P energy: -96.786
tors. eta vs tors. theta energy: -190.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2071.396266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.396266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.396266 (E_RNA)
where:
Base-Base interactions energy: -1456.471
where: short stacking energy: -608.283
Base-Backbone interact. energy: 0.294
local terms energy: -615.218807
where:
bonds (distance) C4'-P energy: -127.186
bonds (distance) P-C4' energy: -106.195
flat angles C4'-P-C4' energy: -135.918
flat angles P-C4'-P energy: -69.031
tors. eta vs tors. theta energy: -176.889
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: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1965.592439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.592439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.592439 (E_RNA)
where:
Base-Base interactions energy: -1345.627
where: short stacking energy: -568.351
Base-Backbone interact. energy: -1.083
local terms energy: -618.882771
where:
bonds (distance) C4'-P energy: -113.189
bonds (distance) P-C4' energy: -127.777
flat angles C4'-P-C4' energy: -140.209
flat angles P-C4'-P energy: -76.633
tors. eta vs tors. theta energy: -161.074
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: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1821.299852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.299852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.299852 (E_RNA)
where:
Base-Base interactions energy: -1223.284
where: short stacking energy: -514.134
Base-Backbone interact. energy: 3.887
local terms energy: -601.901981
where:
bonds (distance) C4'-P energy: -114.881
bonds (distance) P-C4' energy: -120.125
flat angles C4'-P-C4' energy: -133.460
flat angles P-C4'-P energy: -85.544
tors. eta vs tors. theta energy: -147.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1678.845871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.845871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.845871 (E_RNA)
where:
Base-Base interactions energy: -1120.673
where: short stacking energy: -462.398
Base-Backbone interact. energy: 3.944
local terms energy: -562.116588
where:
bonds (distance) C4'-P energy: -104.168
bonds (distance) P-C4' energy: -113.766
flat angles C4'-P-C4' energy: -127.202
flat angles P-C4'-P energy: -95.592
tors. eta vs tors. theta energy: -121.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1497.605714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.605714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.605714 (E_RNA)
where:
Base-Base interactions energy: -983.199
where: short stacking energy: -421.705
Base-Backbone interact. energy: -0.021
local terms energy: -514.385657
where:
bonds (distance) C4'-P energy: -108.583
bonds (distance) P-C4' energy: -110.044
flat angles C4'-P-C4' energy: -120.724
flat angles P-C4'-P energy: -67.744
tors. eta vs tors. theta energy: -107.291
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: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -989.172587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.172587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.172587 (E_RNA)
where:
Base-Base interactions energy: -565.329
where: short stacking energy: -266.054
Base-Backbone interact. energy: 4.852
local terms energy: -428.694958
where:
bonds (distance) C4'-P energy: -106.712
bonds (distance) P-C4' energy: -108.177
flat angles C4'-P-C4' energy: -117.273
flat angles P-C4'-P energy: -59.157
tors. eta vs tors. theta energy: -37.376
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: 213
Temperature: 1.300000
Total energy: -624.033003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.033003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.033003 (E_RNA)
where:
Base-Base interactions energy: -285.574
where: short stacking energy: -171.608
Base-Backbone interact. energy: -5.276
local terms energy: -333.183114
where:
bonds (distance) C4'-P energy: -106.041
bonds (distance) P-C4' energy: -103.324
flat angles C4'-P-C4' energy: -80.714
flat angles P-C4'-P energy: -54.799
tors. eta vs tors. theta energy: 11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -480.531381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.531381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.531381 (E_RNA)
where:
Base-Base interactions energy: -162.877
where: short stacking energy: -119.828
Base-Backbone interact. energy: 1.725
local terms energy: -319.378988
where:
bonds (distance) C4'-P energy: -90.680
bonds (distance) P-C4' energy: -112.676
flat angles C4'-P-C4' energy: -77.481
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: 12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2293.824429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.824429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.824429 (E_RNA)
where:
Base-Base interactions energy: -1622.563
where: short stacking energy: -637.193
Base-Backbone interact. energy: -2.192
local terms energy: -669.069606
where:
bonds (distance) C4'-P energy: -111.979
bonds (distance) P-C4' energy: -120.777
flat angles C4'-P-C4' energy: -153.079
flat angles P-C4'-P energy: -98.596
tors. eta vs tors. theta energy: -184.638
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: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2156.386665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.386665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.386665 (E_RNA)
where:
Base-Base interactions energy: -1511.933
where: short stacking energy: -579.512
Base-Backbone interact. energy: -2.135
local terms energy: -642.319022
where:
bonds (distance) C4'-P energy: -129.443
bonds (distance) P-C4' energy: -113.944
flat angles C4'-P-C4' energy: -138.175
flat angles P-C4'-P energy: -92.248
tors. eta vs tors. theta energy: -168.508
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: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2051.764419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.764419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.764419 (E_RNA)
where:
Base-Base interactions energy: -1407.918
where: short stacking energy: -554.431
Base-Backbone interact. energy: -2.975
local terms energy: -640.871556
where:
bonds (distance) C4'-P energy: -121.360
bonds (distance) P-C4' energy: -125.988
flat angles C4'-P-C4' energy: -140.783
flat angles P-C4'-P energy: -90.797
tors. eta vs tors. theta energy: -161.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1937.103647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.103647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.103647 (E_RNA)
where:
Base-Base interactions energy: -1352.956
where: short stacking energy: -573.553
Base-Backbone interact. energy: -2.087
local terms energy: -582.060786
where:
bonds (distance) C4'-P energy: -97.789
bonds (distance) P-C4' energy: -101.316
flat angles C4'-P-C4' energy: -124.287
flat angles P-C4'-P energy: -90.414
tors. eta vs tors. theta energy: -168.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1831.559377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.559377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.559377 (E_RNA)
where:
Base-Base interactions energy: -1256.171
where: short stacking energy: -529.059
Base-Backbone interact. energy: -4.322
local terms energy: -571.066532
where:
bonds (distance) C4'-P energy: -101.575
bonds (distance) P-C4' energy: -113.495
flat angles C4'-P-C4' energy: -124.325
flat angles P-C4'-P energy: -79.000
tors. eta vs tors. theta energy: -152.673
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: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1645.263827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.263827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.263827 (E_RNA)
where:
Base-Base interactions energy: -1109.499
where: short stacking energy: -456.194
Base-Backbone interact. energy: -1.867
local terms energy: -533.898015
where:
bonds (distance) C4'-P energy: -109.925
bonds (distance) P-C4' energy: -110.333
flat angles C4'-P-C4' energy: -117.205
flat angles P-C4'-P energy: -75.462
tors. eta vs tors. theta energy: -120.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1490.704286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.704286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.704286 (E_RNA)
where:
Base-Base interactions energy: -972.445
where: short stacking energy: -400.770
Base-Backbone interact. energy: 0.187
local terms energy: -518.446530
where:
bonds (distance) C4'-P energy: -112.947
bonds (distance) P-C4' energy: -126.215
flat angles C4'-P-C4' energy: -114.625
flat angles P-C4'-P energy: -58.705
tors. eta vs tors. theta energy: -105.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -951.677324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.677324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.677324 (E_RNA)
where:
Base-Base interactions energy: -559.950
where: short stacking energy: -258.838
Base-Backbone interact. energy: 4.386
local terms energy: -396.113317
where:
bonds (distance) C4'-P energy: -103.069
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -100.217
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -40.498
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: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -606.595292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.595292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.595292 (E_RNA)
where:
Base-Base interactions energy: -279.015
where: short stacking energy: -152.931
Base-Backbone interact. energy: -1.309
local terms energy: -326.270905
where:
bonds (distance) C4'-P energy: -104.245
bonds (distance) P-C4' energy: -105.587
flat angles C4'-P-C4' energy: -86.733
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: 22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -500.977707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.977707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.977707 (E_RNA)
where:
Base-Base interactions energy: -180.413
where: short stacking energy: -125.267
Base-Backbone interact. energy: 4.415
local terms energy: -324.979701
where:
bonds (distance) C4'-P energy: -96.854
bonds (distance) P-C4' energy: -109.367
flat angles C4'-P-C4' energy: -82.364
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: 17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2282.738272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.738272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.738272 (E_RNA)
where:
Base-Base interactions energy: -1605.304
where: short stacking energy: -640.111
Base-Backbone interact. energy: -3.045
local terms energy: -674.389405
where:
bonds (distance) C4'-P energy: -121.023
bonds (distance) P-C4' energy: -128.081
flat angles C4'-P-C4' energy: -141.770
flat angles P-C4'-P energy: -99.095
tors. eta vs tors. theta energy: -184.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2179.326186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.326186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.326186 (E_RNA)
where:
Base-Base interactions energy: -1531.779
where: short stacking energy: -590.796
Base-Backbone interact. energy: -3.069
local terms energy: -644.478389
where:
bonds (distance) C4'-P energy: -121.164
bonds (distance) P-C4' energy: -112.819
flat angles C4'-P-C4' energy: -135.691
flat angles P-C4'-P energy: -91.448
tors. eta vs tors. theta energy: -183.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2018.955444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.955444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.955444 (E_RNA)
where:
Base-Base interactions energy: -1392.853
where: short stacking energy: -556.193
Base-Backbone interact. energy: -2.239
local terms energy: -623.863564
where:
bonds (distance) C4'-P energy: -117.617
bonds (distance) P-C4' energy: -120.865
flat angles C4'-P-C4' energy: -125.959
flat angles P-C4'-P energy: -89.993
tors. eta vs tors. theta energy: -169.430
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: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1985.242699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.242699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.242699 (E_RNA)
where:
Base-Base interactions energy: -1389.387
where: short stacking energy: -564.290
Base-Backbone interact. energy: 0.687
local terms energy: -596.541966
where:
bonds (distance) C4'-P energy: -95.415
bonds (distance) P-C4' energy: -105.304
flat angles C4'-P-C4' energy: -136.031
flat angles P-C4'-P energy: -88.645
tors. eta vs tors. theta energy: -171.146
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: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1804.697501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.697501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.697501 (E_RNA)
where:
Base-Base interactions energy: -1236.959
where: short stacking energy: -514.926
Base-Backbone interact. energy: -1.342
local terms energy: -566.396338
where:
bonds (distance) C4'-P energy: -117.834
bonds (distance) P-C4' energy: -106.759
flat angles C4'-P-C4' energy: -119.769
flat angles P-C4'-P energy: -73.282
tors. eta vs tors. theta energy: -148.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1671.783769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.783769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.783769 (E_RNA)
where:
Base-Base interactions energy: -1114.287
where: short stacking energy: -459.018
Base-Backbone interact. energy: 1.836
local terms energy: -559.332382
where:
bonds (distance) C4'-P energy: -115.564
bonds (distance) P-C4' energy: -120.117
flat angles C4'-P-C4' energy: -105.734
flat angles P-C4'-P energy: -91.752
tors. eta vs tors. theta energy: -126.165
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: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1446.021900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.021900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.021900 (E_RNA)
where:
Base-Base interactions energy: -959.296
where: short stacking energy: -387.538
Base-Backbone interact. energy: -1.029
local terms energy: -485.696983
where:
bonds (distance) C4'-P energy: -94.989
bonds (distance) P-C4' energy: -107.420
flat angles C4'-P-C4' energy: -110.110
flat angles P-C4'-P energy: -77.337
tors. eta vs tors. theta energy: -95.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -929.056399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.056399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.056399 (E_RNA)
where:
Base-Base interactions energy: -524.776
where: short stacking energy: -236.387
Base-Backbone interact. energy: -2.997
local terms energy: -401.284169
where:
bonds (distance) C4'-P energy: -110.558
bonds (distance) P-C4' energy: -107.669
flat angles C4'-P-C4' energy: -95.932
flat angles P-C4'-P energy: -62.184
tors. eta vs tors. theta energy: -24.941
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: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -653.753351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.753351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.753351 (E_RNA)
where:
Base-Base interactions energy: -312.325
where: short stacking energy: -171.198
Base-Backbone interact. energy: 4.038
local terms energy: -345.466141
where:
bonds (distance) C4'-P energy: -92.947
bonds (distance) P-C4' energy: -120.832
flat angles C4'-P-C4' energy: -78.116
flat angles P-C4'-P energy: -64.055
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: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -456.574998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.574998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.574998 (E_RNA)
where:
Base-Base interactions energy: -148.724
where: short stacking energy: -108.056
Base-Backbone interact. energy: 2.825
local terms energy: -310.675706
where:
bonds (distance) C4'-P energy: -108.303
bonds (distance) P-C4' energy: -111.382
flat angles C4'-P-C4' energy: -67.585
flat angles P-C4'-P energy: -56.955
tors. eta vs tors. theta energy: 33.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2311.666207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.666207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.666207 (E_RNA)
where:
Base-Base interactions energy: -1633.488
where: short stacking energy: -632.887
Base-Backbone interact. energy: 1.328
local terms energy: -679.506095
where:
bonds (distance) C4'-P energy: -121.068
bonds (distance) P-C4' energy: -140.045
flat angles C4'-P-C4' energy: -144.097
flat angles P-C4'-P energy: -87.031
tors. eta vs tors. theta energy: -187.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2151.647242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.647242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.647242 (E_RNA)
where:
Base-Base interactions energy: -1517.842
where: short stacking energy: -575.988
Base-Backbone interact. energy: -3.232
local terms energy: -630.574001
where:
bonds (distance) C4'-P energy: -119.342
bonds (distance) P-C4' energy: -120.937
flat angles C4'-P-C4' energy: -128.829
flat angles P-C4'-P energy: -89.073
tors. eta vs tors. theta energy: -172.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2044.361107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.361107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.361107 (E_RNA)
where:
Base-Base interactions energy: -1410.259
where: short stacking energy: -575.510
Base-Backbone interact. energy: -3.675
local terms energy: -630.426701
where:
bonds (distance) C4'-P energy: -128.420
bonds (distance) P-C4' energy: -105.750
flat angles C4'-P-C4' energy: -129.506
flat angles P-C4'-P energy: -96.009
tors. eta vs tors. theta energy: -170.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1949.084855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.084855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.084855 (E_RNA)
where:
Base-Base interactions energy: -1344.396
where: short stacking energy: -546.102
Base-Backbone interact. energy: -0.307
local terms energy: -604.381964
where:
bonds (distance) C4'-P energy: -117.178
bonds (distance) P-C4' energy: -107.062
flat angles C4'-P-C4' energy: -117.284
flat angles P-C4'-P energy: -95.875
tors. eta vs tors. theta energy: -166.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1795.138133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.138133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.138133 (E_RNA)
where:
Base-Base interactions energy: -1235.017
where: short stacking energy: -510.423
Base-Backbone interact. energy: -3.192
local terms energy: -556.929219
where:
bonds (distance) C4'-P energy: -102.218
bonds (distance) P-C4' energy: -111.373
flat angles C4'-P-C4' energy: -134.772
flat angles P-C4'-P energy: -70.442
tors. eta vs tors. theta energy: -138.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1729.323835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.323835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.323835 (E_RNA)
where:
Base-Base interactions energy: -1152.221
where: short stacking energy: -473.610
Base-Backbone interact. energy: -0.883
local terms energy: -576.219281
where:
bonds (distance) C4'-P energy: -110.040
bonds (distance) P-C4' energy: -113.106
flat angles C4'-P-C4' energy: -129.383
flat angles P-C4'-P energy: -91.973
tors. eta vs tors. theta energy: -131.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1491.702535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.702535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.702535 (E_RNA)
where:
Base-Base interactions energy: -1000.973
where: short stacking energy: -424.947
Base-Backbone interact. energy: 1.396
local terms energy: -492.126084
where:
bonds (distance) C4'-P energy: -91.384
bonds (distance) P-C4' energy: -114.154
flat angles C4'-P-C4' energy: -113.183
flat angles P-C4'-P energy: -65.397
tors. eta vs tors. theta energy: -108.007
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: 216
Temperature: 1.250000
Total energy: -944.385147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.385147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.385147 (E_RNA)
where:
Base-Base interactions energy: -527.375
where: short stacking energy: -247.320
Base-Backbone interact. energy: -1.663
local terms energy: -415.347913
where:
bonds (distance) C4'-P energy: -105.972
bonds (distance) P-C4' energy: -110.926
flat angles C4'-P-C4' energy: -97.254
flat angles P-C4'-P energy: -79.203
tors. eta vs tors. theta energy: -21.993
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -642.143691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.143691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.143691 (E_RNA)
where:
Base-Base interactions energy: -285.734
where: short stacking energy: -184.134
Base-Backbone interact. energy: 4.359
local terms energy: -360.769208
where:
bonds (distance) C4'-P energy: -89.331
bonds (distance) P-C4' energy: -123.870
flat angles C4'-P-C4' energy: -94.374
flat angles P-C4'-P energy: -51.375
tors. eta vs tors. theta energy: -1.819
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: 216
Temperature: 1.350000
Total energy: -455.315323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.315323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.315323 (E_RNA)
where:
Base-Base interactions energy: -135.015
where: short stacking energy: -95.654
Base-Backbone interact. energy: -1.681
local terms energy: -318.619696
where:
bonds (distance) C4'-P energy: -113.310
bonds (distance) P-C4' energy: -98.737
flat angles C4'-P-C4' energy: -70.017
flat angles P-C4'-P energy: -56.794
tors. eta vs tors. theta energy: 20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2282.591087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.591087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.591087 (E_RNA)
where:
Base-Base interactions energy: -1615.152
where: short stacking energy: -639.485
Base-Backbone interact. energy: -0.633
local terms energy: -666.806246
where:
bonds (distance) C4'-P energy: -120.128
bonds (distance) P-C4' energy: -130.162
flat angles C4'-P-C4' energy: -136.999
flat angles P-C4'-P energy: -97.410
tors. eta vs tors. theta energy: -182.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2176.813766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.813766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.813766 (E_RNA)
where:
Base-Base interactions energy: -1515.620
where: short stacking energy: -601.641
Base-Backbone interact. energy: -2.712
local terms energy: -658.481479
where:
bonds (distance) C4'-P energy: -119.472
bonds (distance) P-C4' energy: -117.094
flat angles C4'-P-C4' energy: -145.758
flat angles P-C4'-P energy: -99.527
tors. eta vs tors. theta energy: -176.630
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: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2011.023419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.023419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.023419 (E_RNA)
where:
Base-Base interactions energy: -1408.271
where: short stacking energy: -569.113
Base-Backbone interact. energy: -4.589
local terms energy: -598.162758
where:
bonds (distance) C4'-P energy: -108.725
bonds (distance) P-C4' energy: -116.210
flat angles C4'-P-C4' energy: -137.440
flat angles P-C4'-P energy: -77.945
tors. eta vs tors. theta energy: -157.843
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: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1970.723118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.723118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.723118 (E_RNA)
where:
Base-Base interactions energy: -1355.619
where: short stacking energy: -540.920
Base-Backbone interact. energy: -5.248
local terms energy: -609.856159
where:
bonds (distance) C4'-P energy: -105.396
bonds (distance) P-C4' energy: -120.313
flat angles C4'-P-C4' energy: -123.144
flat angles P-C4'-P energy: -88.896
tors. eta vs tors. theta energy: -172.107
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1820.839460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.839460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.839460 (E_RNA)
where:
Base-Base interactions energy: -1253.295
where: short stacking energy: -520.542
Base-Backbone interact. energy: -1.439
local terms energy: -566.105208
where:
bonds (distance) C4'-P energy: -89.879
bonds (distance) P-C4' energy: -111.867
flat angles C4'-P-C4' energy: -136.939
flat angles P-C4'-P energy: -77.034
tors. eta vs tors. theta energy: -150.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1701.472241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.472241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.472241 (E_RNA)
where:
Base-Base interactions energy: -1150.129
where: short stacking energy: -464.286
Base-Backbone interact. energy: -1.154
local terms energy: -550.189444
where:
bonds (distance) C4'-P energy: -100.365
bonds (distance) P-C4' energy: -104.716
flat angles C4'-P-C4' energy: -128.718
flat angles P-C4'-P energy: -78.135
tors. eta vs tors. theta energy: -138.256
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: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1513.706382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.706382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.706382 (E_RNA)
where:
Base-Base interactions energy: -1013.378
where: short stacking energy: -411.813
Base-Backbone interact. energy: -1.298
local terms energy: -499.030798
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -103.615
flat angles C4'-P-C4' energy: -114.471
flat angles P-C4'-P energy: -72.238
tors. eta vs tors. theta energy: -98.822
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: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -926.602163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.602163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.602163 (E_RNA)
where:
Base-Base interactions energy: -513.322
where: short stacking energy: -245.670
Base-Backbone interact. energy: -2.513
local terms energy: -410.766299
where:
bonds (distance) C4'-P energy: -114.254
bonds (distance) P-C4' energy: -92.909
flat angles C4'-P-C4' energy: -102.027
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: -45.724
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: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -630.775743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.775743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.775743 (E_RNA)
where:
Base-Base interactions energy: -276.738
where: short stacking energy: -159.509
Base-Backbone interact. energy: -0.957
local terms energy: -353.081125
where:
bonds (distance) C4'-P energy: -108.554
bonds (distance) P-C4' energy: -106.318
flat angles C4'-P-C4' energy: -84.200
flat angles P-C4'-P energy: -62.636
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: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -445.087422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.087422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.087422 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -126.058
Base-Backbone interact. energy: 1.928
local terms energy: -293.927529
where:
bonds (distance) C4'-P energy: -87.778
bonds (distance) P-C4' energy: -100.088
flat angles C4'-P-C4' energy: -91.742
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: 23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2347.090594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.090594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.090594 (E_RNA)
where:
Base-Base interactions energy: -1662.442
where: short stacking energy: -647.632
Base-Backbone interact. energy: -2.617
local terms energy: -682.031931
where:
bonds (distance) C4'-P energy: -134.008
bonds (distance) P-C4' energy: -115.816
flat angles C4'-P-C4' energy: -143.870
flat angles P-C4'-P energy: -100.632
tors. eta vs tors. theta energy: -187.706
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: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2161.956176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.956176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.956176 (E_RNA)
where:
Base-Base interactions energy: -1503.024
where: short stacking energy: -597.432
Base-Backbone interact. energy: -0.969
local terms energy: -657.962930
where:
bonds (distance) C4'-P energy: -126.757
bonds (distance) P-C4' energy: -129.162
flat angles C4'-P-C4' energy: -130.893
flat angles P-C4'-P energy: -103.241
tors. eta vs tors. theta energy: -167.909
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: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2022.892139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.892139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.892139 (E_RNA)
where:
Base-Base interactions energy: -1410.370
where: short stacking energy: -576.487
Base-Backbone interact. energy: -2.852
local terms energy: -609.669662
where:
bonds (distance) C4'-P energy: -94.861
bonds (distance) P-C4' energy: -121.860
flat angles C4'-P-C4' energy: -140.162
flat angles P-C4'-P energy: -78.703
tors. eta vs tors. theta energy: -174.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1992.944589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.944589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.944589 (E_RNA)
where:
Base-Base interactions energy: -1393.876
where: short stacking energy: -555.796
Base-Backbone interact. energy: -0.328
local terms energy: -598.740805
where:
bonds (distance) C4'-P energy: -103.659
bonds (distance) P-C4' energy: -121.263
flat angles C4'-P-C4' energy: -137.858
flat angles P-C4'-P energy: -73.009
tors. eta vs tors. theta energy: -162.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1828.984143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.984143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.984143 (E_RNA)
where:
Base-Base interactions energy: -1227.887
where: short stacking energy: -513.443
Base-Backbone interact. energy: -2.296
local terms energy: -598.801335
where:
bonds (distance) C4'-P energy: -109.657
bonds (distance) P-C4' energy: -124.939
flat angles C4'-P-C4' energy: -131.502
flat angles P-C4'-P energy: -78.653
tors. eta vs tors. theta energy: -154.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1682.336149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.336149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.336149 (E_RNA)
where:
Base-Base interactions energy: -1124.270
where: short stacking energy: -452.910
Base-Backbone interact. energy: 2.736
local terms energy: -560.802479
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -101.506
flat angles C4'-P-C4' energy: -124.265
flat angles P-C4'-P energy: -85.239
tors. eta vs tors. theta energy: -144.473
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: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1417.274411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.274411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.274411 (E_RNA)
where:
Base-Base interactions energy: -932.599
where: short stacking energy: -398.712
Base-Backbone interact. energy: -4.973
local terms energy: -479.702871
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -86.159
flat angles C4'-P-C4' energy: -106.503
flat angles P-C4'-P energy: -72.653
tors. eta vs tors. theta energy: -99.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -947.459522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.459522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.459522 (E_RNA)
where:
Base-Base interactions energy: -539.356
where: short stacking energy: -259.898
Base-Backbone interact. energy: 0.676
local terms energy: -408.780408
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -98.484
flat angles C4'-P-C4' energy: -101.872
flat angles P-C4'-P energy: -69.747
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -615.757430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.757430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.757430 (E_RNA)
where:
Base-Base interactions energy: -263.530
where: short stacking energy: -176.369
Base-Backbone interact. energy: 2.705
local terms energy: -354.932523
where:
bonds (distance) C4'-P energy: -82.234
bonds (distance) P-C4' energy: -113.239
flat angles C4'-P-C4' energy: -93.540
flat angles P-C4'-P energy: -66.685
tors. eta vs tors. theta energy: 0.766
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: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -483.708033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.708033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.708033 (E_RNA)
where:
Base-Base interactions energy: -151.662
where: short stacking energy: -95.923
Base-Backbone interact. energy: -3.637
local terms energy: -328.408556
where:
bonds (distance) C4'-P energy: -102.692
bonds (distance) P-C4' energy: -111.987
flat angles C4'-P-C4' energy: -88.753
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: 21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2316.540508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.540508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.540508 (E_RNA)
where:
Base-Base interactions energy: -1637.916
where: short stacking energy: -651.687
Base-Backbone interact. energy: -0.585
local terms energy: -678.039002
where:
bonds (distance) C4'-P energy: -123.870
bonds (distance) P-C4' energy: -120.092
flat angles C4'-P-C4' energy: -147.996
flat angles P-C4'-P energy: -94.978
tors. eta vs tors. theta energy: -191.103
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: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2150.592401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.592401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.592401 (E_RNA)
where:
Base-Base interactions energy: -1486.612
where: short stacking energy: -579.028
Base-Backbone interact. energy: -4.944
local terms energy: -659.036622
where:
bonds (distance) C4'-P energy: -129.594
bonds (distance) P-C4' energy: -117.482
flat angles C4'-P-C4' energy: -137.066
flat angles P-C4'-P energy: -104.990
tors. eta vs tors. theta energy: -169.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2037.245955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.245955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.245955 (E_RNA)
where:
Base-Base interactions energy: -1414.490
where: short stacking energy: -559.305
Base-Backbone interact. energy: 1.522
local terms energy: -624.278462
where:
bonds (distance) C4'-P energy: -103.382
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -133.992
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -167.958
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: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2012.154701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.154701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.154701 (E_RNA)
where:
Base-Base interactions energy: -1399.764
where: short stacking energy: -556.369
Base-Backbone interact. energy: 4.360
local terms energy: -616.750419
where:
bonds (distance) C4'-P energy: -119.524
bonds (distance) P-C4' energy: -116.404
flat angles C4'-P-C4' energy: -134.710
flat angles P-C4'-P energy: -79.062
tors. eta vs tors. theta energy: -167.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1842.799952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.799952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.799952 (E_RNA)
where:
Base-Base interactions energy: -1244.293
where: short stacking energy: -524.133
Base-Backbone interact. energy: -0.333
local terms energy: -598.173109
where:
bonds (distance) C4'-P energy: -121.738
bonds (distance) P-C4' energy: -122.940
flat angles C4'-P-C4' energy: -125.685
flat angles P-C4'-P energy: -84.637
tors. eta vs tors. theta energy: -143.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1683.272711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.272711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.272711 (E_RNA)
where:
Base-Base interactions energy: -1109.861
where: short stacking energy: -470.515
Base-Backbone interact. energy: -0.540
local terms energy: -572.871366
where:
bonds (distance) C4'-P energy: -111.501
bonds (distance) P-C4' energy: -119.611
flat angles C4'-P-C4' energy: -134.881
flat angles P-C4'-P energy: -71.543
tors. eta vs tors. theta energy: -135.336
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: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1454.848195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.848195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.848195 (E_RNA)
where:
Base-Base interactions energy: -930.620
where: short stacking energy: -404.340
Base-Backbone interact. energy: 4.675
local terms energy: -528.902846
where:
bonds (distance) C4'-P energy: -113.950
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -114.461
flat angles P-C4'-P energy: -77.677
tors. eta vs tors. theta energy: -107.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -969.983359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.983359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.983359 (E_RNA)
where:
Base-Base interactions energy: -536.290
where: short stacking energy: -250.512
Base-Backbone interact. energy: 1.579
local terms energy: -435.272141
where:
bonds (distance) C4'-P energy: -95.207
bonds (distance) P-C4' energy: -109.780
flat angles C4'-P-C4' energy: -107.382
flat angles P-C4'-P energy: -73.005
tors. eta vs tors. theta energy: -49.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -589.161691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.161691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.161691 (E_RNA)
where:
Base-Base interactions energy: -249.154
where: short stacking energy: -170.303
Base-Backbone interact. energy: -3.289
local terms energy: -336.718717
where:
bonds (distance) C4'-P energy: -107.450
bonds (distance) P-C4' energy: -103.136
flat angles C4'-P-C4' energy: -95.634
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: 11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -478.737144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.737144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.737144 (E_RNA)
where:
Base-Base interactions energy: -209.101
where: short stacking energy: -149.251
Base-Backbone interact. energy: -3.828
local terms energy: -265.807984
where:
bonds (distance) C4'-P energy: -111.154
bonds (distance) P-C4' energy: -81.421
flat angles C4'-P-C4' energy: -79.309
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: 27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2344.606298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.606298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.606298 (E_RNA)
where:
Base-Base interactions energy: -1646.940
where: short stacking energy: -639.130
Base-Backbone interact. energy: -2.327
local terms energy: -695.340054
where:
bonds (distance) C4'-P energy: -133.196
bonds (distance) P-C4' energy: -133.416
flat angles C4'-P-C4' energy: -144.295
flat angles P-C4'-P energy: -99.369
tors. eta vs tors. theta energy: -185.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2152.303420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.303420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.303420 (E_RNA)
where:
Base-Base interactions energy: -1510.548
where: short stacking energy: -610.624
Base-Backbone interact. energy: 0.233
local terms energy: -641.988832
where:
bonds (distance) C4'-P energy: -119.090
bonds (distance) P-C4' energy: -125.197
flat angles C4'-P-C4' energy: -142.327
flat angles P-C4'-P energy: -81.231
tors. eta vs tors. theta energy: -174.144
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: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2055.550144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.550144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.550144 (E_RNA)
where:
Base-Base interactions energy: -1422.054
where: short stacking energy: -582.300
Base-Backbone interact. energy: -6.308
local terms energy: -627.187628
where:
bonds (distance) C4'-P energy: -118.325
bonds (distance) P-C4' energy: -109.537
flat angles C4'-P-C4' energy: -142.787
flat angles P-C4'-P energy: -78.524
tors. eta vs tors. theta energy: -178.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1969.879546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.879546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.879546 (E_RNA)
where:
Base-Base interactions energy: -1357.835
where: short stacking energy: -535.457
Base-Backbone interact. energy: -3.086
local terms energy: -608.958312
where:
bonds (distance) C4'-P energy: -110.079
bonds (distance) P-C4' energy: -118.296
flat angles C4'-P-C4' energy: -139.028
flat angles P-C4'-P energy: -81.461
tors. eta vs tors. theta energy: -160.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1839.516418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.516418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.516418 (E_RNA)
where:
Base-Base interactions energy: -1246.620
where: short stacking energy: -521.256
Base-Backbone interact. energy: 2.924
local terms energy: -595.820609
where:
bonds (distance) C4'-P energy: -115.784
bonds (distance) P-C4' energy: -109.041
flat angles C4'-P-C4' energy: -134.163
flat angles P-C4'-P energy: -88.700
tors. eta vs tors. theta energy: -148.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1667.250464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.250464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.250464 (E_RNA)
where:
Base-Base interactions energy: -1140.180
where: short stacking energy: -479.638
Base-Backbone interact. energy: -0.384
local terms energy: -526.686808
where:
bonds (distance) C4'-P energy: -96.442
bonds (distance) P-C4' energy: -99.184
flat angles C4'-P-C4' energy: -118.878
flat angles P-C4'-P energy: -80.158
tors. eta vs tors. theta energy: -132.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1544.955682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.955682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.955682 (E_RNA)
where:
Base-Base interactions energy: -1008.225
where: short stacking energy: -422.506
Base-Backbone interact. energy: 0.746
local terms energy: -537.476449
where:
bonds (distance) C4'-P energy: -94.706
bonds (distance) P-C4' energy: -123.179
flat angles C4'-P-C4' energy: -120.471
flat angles P-C4'-P energy: -87.321
tors. eta vs tors. theta energy: -111.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -993.014087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.014087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.014087 (E_RNA)
where:
Base-Base interactions energy: -561.426
where: short stacking energy: -282.340
Base-Backbone interact. energy: -2.039
local terms energy: -429.549609
where:
bonds (distance) C4'-P energy: -101.624
bonds (distance) P-C4' energy: -114.308
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -80.062
tors. eta vs tors. theta energy: -44.340
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: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -608.876456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.876456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.876456 (E_RNA)
where:
Base-Base interactions energy: -262.557
where: short stacking energy: -157.008
Base-Backbone interact. energy: -1.763
local terms energy: -344.556444
where:
bonds (distance) C4'-P energy: -100.512
bonds (distance) P-C4' energy: -105.883
flat angles C4'-P-C4' energy: -90.587
flat angles P-C4'-P energy: -47.688
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: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -436.186367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.186367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.186367 (E_RNA)
where:
Base-Base interactions energy: -123.793
where: short stacking energy: -101.101
Base-Backbone interact. energy: 0.326
local terms energy: -312.718780
where:
bonds (distance) C4'-P energy: -103.930
bonds (distance) P-C4' energy: -106.031
flat angles C4'-P-C4' energy: -87.386
flat angles P-C4'-P energy: -49.826
tors. eta vs tors. theta energy: 34.454
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: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2333.340297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.340297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.340297 (E_RNA)
where:
Base-Base interactions energy: -1656.648
where: short stacking energy: -641.327
Base-Backbone interact. energy: 2.651
local terms energy: -679.343506
where:
bonds (distance) C4'-P energy: -123.828
bonds (distance) P-C4' energy: -124.384
flat angles C4'-P-C4' energy: -143.091
flat angles P-C4'-P energy: -100.522
tors. eta vs tors. theta energy: -187.519
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: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2181.560649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.560649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.560649 (E_RNA)
where:
Base-Base interactions energy: -1528.385
where: short stacking energy: -620.045
Base-Backbone interact. energy: -2.601
local terms energy: -650.574855
where:
bonds (distance) C4'-P energy: -112.496
bonds (distance) P-C4' energy: -121.868
flat angles C4'-P-C4' energy: -140.881
flat angles P-C4'-P energy: -105.134
tors. eta vs tors. theta energy: -170.195
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: 221
Temperature: 1.000000
Total energy: -2080.386366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.386366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.386366 (E_RNA)
where:
Base-Base interactions energy: -1438.301
where: short stacking energy: -574.541
Base-Backbone interact. energy: 1.353
local terms energy: -643.438578
where:
bonds (distance) C4'-P energy: -110.796
bonds (distance) P-C4' energy: -115.672
flat angles C4'-P-C4' energy: -139.838
flat angles P-C4'-P energy: -95.303
tors. eta vs tors. theta energy: -181.829
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: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1956.045533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.045533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.045533 (E_RNA)
where:
Base-Base interactions energy: -1347.780
where: short stacking energy: -532.035
Base-Backbone interact. energy: -1.566
local terms energy: -606.699897
where:
bonds (distance) C4'-P energy: -108.880
bonds (distance) P-C4' energy: -136.507
flat angles C4'-P-C4' energy: -125.393
flat angles P-C4'-P energy: -84.870
tors. eta vs tors. theta energy: -151.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1824.521455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.521455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.521455 (E_RNA)
where:
Base-Base interactions energy: -1284.751
where: short stacking energy: -521.512
Base-Backbone interact. energy: 1.896
local terms energy: -541.666389
where:
bonds (distance) C4'-P energy: -98.944
bonds (distance) P-C4' energy: -106.349
flat angles C4'-P-C4' energy: -124.819
flat angles P-C4'-P energy: -68.313
tors. eta vs tors. theta energy: -143.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1649.108477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.108477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.108477 (E_RNA)
where:
Base-Base interactions energy: -1105.343
where: short stacking energy: -451.585
Base-Backbone interact. energy: 0.839
local terms energy: -544.603831
where:
bonds (distance) C4'-P energy: -99.981
bonds (distance) P-C4' energy: -115.542
flat angles C4'-P-C4' energy: -124.922
flat angles P-C4'-P energy: -78.037
tors. eta vs tors. theta energy: -126.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1548.629369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.629369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.629369 (E_RNA)
where:
Base-Base interactions energy: -1026.384
where: short stacking energy: -426.194
Base-Backbone interact. energy: -1.509
local terms energy: -520.735907
where:
bonds (distance) C4'-P energy: -98.206
bonds (distance) P-C4' energy: -121.768
flat angles C4'-P-C4' energy: -109.285
flat angles P-C4'-P energy: -70.343
tors. eta vs tors. theta energy: -121.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -997.561125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.561125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.561125 (E_RNA)
where:
Base-Base interactions energy: -566.020
where: short stacking energy: -265.893
Base-Backbone interact. energy: -1.969
local terms energy: -429.572119
where:
bonds (distance) C4'-P energy: -106.921
bonds (distance) P-C4' energy: -102.329
flat angles C4'-P-C4' energy: -113.090
flat angles P-C4'-P energy: -67.009
tors. eta vs tors. theta energy: -40.223
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -635.184311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.184311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.184311 (E_RNA)
where:
Base-Base interactions energy: -270.518
where: short stacking energy: -160.955
Base-Backbone interact. energy: 1.495
local terms energy: -366.161626
where:
bonds (distance) C4'-P energy: -100.213
bonds (distance) P-C4' energy: -104.304
flat angles C4'-P-C4' energy: -112.452
flat angles P-C4'-P energy: -55.570
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: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -436.343777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.343777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.343777 (E_RNA)
where:
Base-Base interactions energy: -130.470
where: short stacking energy: -122.437
Base-Backbone interact. energy: 1.050
local terms energy: -306.924001
where:
bonds (distance) C4'-P energy: -89.605
bonds (distance) P-C4' energy: -103.129
flat angles C4'-P-C4' energy: -87.228
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: 18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2326.201466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.201466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.201466 (E_RNA)
where:
Base-Base interactions energy: -1649.994
where: short stacking energy: -658.450
Base-Backbone interact. energy: 2.865
local terms energy: -679.072896
where:
bonds (distance) C4'-P energy: -127.481
bonds (distance) P-C4' energy: -118.348
flat angles C4'-P-C4' energy: -143.609
flat angles P-C4'-P energy: -95.879
tors. eta vs tors. theta energy: -193.756
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: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2169.075642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.075642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.075642 (E_RNA)
where:
Base-Base interactions energy: -1505.176
where: short stacking energy: -608.048
Base-Backbone interact. energy: -4.535
local terms energy: -659.364318
where:
bonds (distance) C4'-P energy: -126.742
bonds (distance) P-C4' energy: -122.967
flat angles C4'-P-C4' energy: -143.422
flat angles P-C4'-P energy: -92.556
tors. eta vs tors. theta energy: -173.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2055.120666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.120666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.120666 (E_RNA)
where:
Base-Base interactions energy: -1429.215
where: short stacking energy: -581.051
Base-Backbone interact. energy: -1.976
local terms energy: -623.929756
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -115.682
flat angles C4'-P-C4' energy: -130.528
flat angles P-C4'-P energy: -88.170
tors. eta vs tors. theta energy: -175.774
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1974.445058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.445058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.445058 (E_RNA)
where:
Base-Base interactions energy: -1378.846
where: short stacking energy: -544.794
Base-Backbone interact. energy: -2.763
local terms energy: -592.836518
where:
bonds (distance) C4'-P energy: -95.869
bonds (distance) P-C4' energy: -127.459
flat angles C4'-P-C4' energy: -128.059
flat angles P-C4'-P energy: -76.943
tors. eta vs tors. theta energy: -164.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1866.177435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.177435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.177435 (E_RNA)
where:
Base-Base interactions energy: -1271.199
where: short stacking energy: -527.059
Base-Backbone interact. energy: -1.173
local terms energy: -593.806052
where:
bonds (distance) C4'-P energy: -120.278
bonds (distance) P-C4' energy: -100.302
flat angles C4'-P-C4' energy: -132.158
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -162.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1649.583861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.583861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.583861 (E_RNA)
where:
Base-Base interactions energy: -1147.142
where: short stacking energy: -460.386
Base-Backbone interact. energy: 4.460
local terms energy: -506.901787
where:
bonds (distance) C4'-P energy: -93.607
bonds (distance) P-C4' energy: -101.310
flat angles C4'-P-C4' energy: -116.396
flat angles P-C4'-P energy: -68.133
tors. eta vs tors. theta energy: -127.456
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: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1501.913531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.913531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.913531 (E_RNA)
where:
Base-Base interactions energy: -983.186
where: short stacking energy: -404.503
Base-Backbone interact. energy: -2.704
local terms energy: -516.023676
where:
bonds (distance) C4'-P energy: -96.246
bonds (distance) P-C4' energy: -98.995
flat angles C4'-P-C4' energy: -126.166
flat angles P-C4'-P energy: -92.794
tors. eta vs tors. theta energy: -101.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -996.114680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.114680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.114680 (E_RNA)
where:
Base-Base interactions energy: -574.839
where: short stacking energy: -258.824
Base-Backbone interact. energy: 0.294
local terms energy: -421.569242
where:
bonds (distance) C4'-P energy: -102.877
bonds (distance) P-C4' energy: -112.071
flat angles C4'-P-C4' energy: -95.393
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -49.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -620.757221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.757221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.757221 (E_RNA)
where:
Base-Base interactions energy: -250.614
where: short stacking energy: -164.526
Base-Backbone interact. energy: 0.809
local terms energy: -370.952657
where:
bonds (distance) C4'-P energy: -98.219
bonds (distance) P-C4' energy: -104.181
flat angles C4'-P-C4' energy: -101.480
flat angles P-C4'-P energy: -63.841
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: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -459.315953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.315953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.315953 (E_RNA)
where:
Base-Base interactions energy: -136.077
where: short stacking energy: -121.829
Base-Backbone interact. energy: 0.593
local terms energy: -323.832136
where:
bonds (distance) C4'-P energy: -91.055
bonds (distance) P-C4' energy: -111.010
flat angles C4'-P-C4' energy: -87.064
flat angles P-C4'-P energy: -56.043
tors. eta vs tors. theta energy: 21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2307.480972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.480972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.480972 (E_RNA)
where:
Base-Base interactions energy: -1631.806
where: short stacking energy: -619.764
Base-Backbone interact. energy: 5.232
local terms energy: -680.907049
where:
bonds (distance) C4'-P energy: -129.960
bonds (distance) P-C4' energy: -131.570
flat angles C4'-P-C4' energy: -138.226
flat angles P-C4'-P energy: -92.473
tors. eta vs tors. theta energy: -188.678
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: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2161.944635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.944635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.944635 (E_RNA)
where:
Base-Base interactions energy: -1516.193
where: short stacking energy: -611.758
Base-Backbone interact. energy: -0.374
local terms energy: -645.376921
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -107.279
flat angles C4'-P-C4' energy: -139.257
flat angles P-C4'-P energy: -88.104
tors. eta vs tors. theta energy: -197.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2041.537959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.537959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.537959 (E_RNA)
where:
Base-Base interactions energy: -1403.051
where: short stacking energy: -571.603
Base-Backbone interact. energy: 2.926
local terms energy: -641.413105
where:
bonds (distance) C4'-P energy: -124.289
bonds (distance) P-C4' energy: -106.716
flat angles C4'-P-C4' energy: -137.243
flat angles P-C4'-P energy: -98.966
tors. eta vs tors. theta energy: -174.200
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: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1934.106362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.106362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.106362 (E_RNA)
where:
Base-Base interactions energy: -1327.276
where: short stacking energy: -540.017
Base-Backbone interact. energy: -0.550
local terms energy: -606.280316
where:
bonds (distance) C4'-P energy: -124.441
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -133.333
flat angles P-C4'-P energy: -85.370
tors. eta vs tors. theta energy: -156.901
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: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1870.877840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.877840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.877840 (E_RNA)
where:
Base-Base interactions energy: -1304.762
where: short stacking energy: -521.955
Base-Backbone interact. energy: -0.561
local terms energy: -565.554211
where:
bonds (distance) C4'-P energy: -96.512
bonds (distance) P-C4' energy: -118.587
flat angles C4'-P-C4' energy: -126.773
flat angles P-C4'-P energy: -71.516
tors. eta vs tors. theta energy: -152.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1683.705708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.705708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.705708 (E_RNA)
where:
Base-Base interactions energy: -1134.182
where: short stacking energy: -478.941
Base-Backbone interact. energy: 0.307
local terms energy: -549.831437
where:
bonds (distance) C4'-P energy: -108.470
bonds (distance) P-C4' energy: -102.550
flat angles C4'-P-C4' energy: -117.195
flat angles P-C4'-P energy: -69.029
tors. eta vs tors. theta energy: -152.588
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: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1523.396665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.396665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.396665 (E_RNA)
where:
Base-Base interactions energy: -1002.031
where: short stacking energy: -423.564
Base-Backbone interact. energy: 3.872
local terms energy: -525.237397
where:
bonds (distance) C4'-P energy: -101.780
bonds (distance) P-C4' energy: -116.340
flat angles C4'-P-C4' energy: -115.798
flat angles P-C4'-P energy: -74.780
tors. eta vs tors. theta energy: -116.540
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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1031.838017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.838017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.838017 (E_RNA)
where:
Base-Base interactions energy: -611.924
where: short stacking energy: -282.399
Base-Backbone interact. energy: -5.140
local terms energy: -414.774302
where:
bonds (distance) C4'-P energy: -95.657
bonds (distance) P-C4' energy: -112.909
flat angles C4'-P-C4' energy: -118.664
flat angles P-C4'-P energy: -55.494
tors. eta vs tors. theta energy: -32.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -703.343909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.343909 (E_RNA)
where:
Base-Base interactions energy: -314.977
where: short stacking energy: -197.834
Base-Backbone interact. energy: 1.960
local terms energy: -390.326650
where:
bonds (distance) C4'-P energy: -102.566
bonds (distance) P-C4' energy: -99.008
flat angles C4'-P-C4' energy: -99.344
flat angles P-C4'-P energy: -77.788
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -475.569253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.569253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.569253 (E_RNA)
where:
Base-Base interactions energy: -144.703
where: short stacking energy: -111.644
Base-Backbone interact. energy: 4.687
local terms energy: -335.552634
where:
bonds (distance) C4'-P energy: -110.469
bonds (distance) P-C4' energy: -113.329
flat angles C4'-P-C4' energy: -100.528
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: 12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2313.969605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.969605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.969605 (E_RNA)
where:
Base-Base interactions energy: -1627.936
where: short stacking energy: -624.675
Base-Backbone interact. energy: 0.427
local terms energy: -686.460061
where:
bonds (distance) C4'-P energy: -126.815
bonds (distance) P-C4' energy: -133.673
flat angles C4'-P-C4' energy: -141.887
flat angles P-C4'-P energy: -93.784
tors. eta vs tors. theta energy: -190.301
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: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2162.124036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.124036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.124036 (E_RNA)
where:
Base-Base interactions energy: -1512.493
where: short stacking energy: -605.682
Base-Backbone interact. energy: -2.330
local terms energy: -647.300678
where:
bonds (distance) C4'-P energy: -117.999
bonds (distance) P-C4' energy: -120.094
flat angles C4'-P-C4' energy: -131.182
flat angles P-C4'-P energy: -99.547
tors. eta vs tors. theta energy: -178.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2042.586979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.586979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.586979 (E_RNA)
where:
Base-Base interactions energy: -1406.299
where: short stacking energy: -581.589
Base-Backbone interact. energy: -3.347
local terms energy: -632.941360
where:
bonds (distance) C4'-P energy: -120.137
bonds (distance) P-C4' energy: -114.401
flat angles C4'-P-C4' energy: -144.909
flat angles P-C4'-P energy: -83.094
tors. eta vs tors. theta energy: -170.400
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: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1934.765820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.765820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.765820 (E_RNA)
where:
Base-Base interactions energy: -1327.797
where: short stacking energy: -535.706
Base-Backbone interact. energy: -3.045
local terms energy: -603.924155
where:
bonds (distance) C4'-P energy: -102.705
bonds (distance) P-C4' energy: -117.927
flat angles C4'-P-C4' energy: -134.198
flat angles P-C4'-P energy: -95.509
tors. eta vs tors. theta energy: -153.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1840.912333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.912333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.912333 (E_RNA)
where:
Base-Base interactions energy: -1266.081
where: short stacking energy: -495.254
Base-Backbone interact. energy: -0.826
local terms energy: -574.004738
where:
bonds (distance) C4'-P energy: -103.756
bonds (distance) P-C4' energy: -109.141
flat angles C4'-P-C4' energy: -127.342
flat angles P-C4'-P energy: -78.118
tors. eta vs tors. theta energy: -155.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1672.124737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.124737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.124737 (E_RNA)
where:
Base-Base interactions energy: -1168.178
where: short stacking energy: -485.391
Base-Backbone interact. energy: -3.351
local terms energy: -500.595403
where:
bonds (distance) C4'-P energy: -96.382
bonds (distance) P-C4' energy: -94.198
flat angles C4'-P-C4' energy: -120.820
flat angles P-C4'-P energy: -68.480
tors. eta vs tors. theta energy: -120.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1464.186322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.186322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.186322 (E_RNA)
where:
Base-Base interactions energy: -949.432
where: short stacking energy: -379.323
Base-Backbone interact. energy: 2.426
local terms energy: -517.179851
where:
bonds (distance) C4'-P energy: -100.487
bonds (distance) P-C4' energy: -105.941
flat angles C4'-P-C4' energy: -127.297
flat angles P-C4'-P energy: -77.612
tors. eta vs tors. theta energy: -105.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1038.667610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.667610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.667610 (E_RNA)
where:
Base-Base interactions energy: -620.255
where: short stacking energy: -281.492
Base-Backbone interact. energy: -1.591
local terms energy: -416.821295
where:
bonds (distance) C4'-P energy: -114.298
bonds (distance) P-C4' energy: -110.861
flat angles C4'-P-C4' energy: -92.025
flat angles P-C4'-P energy: -60.026
tors. eta vs tors. theta energy: -39.612
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: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -645.174242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.174242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.174242 (E_RNA)
where:
Base-Base interactions energy: -317.500
where: short stacking energy: -179.035
Base-Backbone interact. energy: -2.615
local terms energy: -325.058651
where:
bonds (distance) C4'-P energy: -85.712
bonds (distance) P-C4' energy: -98.979
flat angles C4'-P-C4' energy: -100.175
flat angles P-C4'-P energy: -56.450
tors. eta vs tors. theta energy: 16.258
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: 224
Temperature: 1.350000
Total energy: -459.366195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.366195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.366195 (E_RNA)
where:
Base-Base interactions energy: -130.641
where: short stacking energy: -124.301
Base-Backbone interact. energy: -0.867
local terms energy: -327.859018
where:
bonds (distance) C4'-P energy: -95.091
bonds (distance) P-C4' energy: -113.817
flat angles C4'-P-C4' energy: -93.380
flat angles P-C4'-P energy: -57.680
tors. eta vs tors. theta energy: 32.109
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: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2310.898620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.898620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.898620 (E_RNA)
where:
Base-Base interactions energy: -1637.797
where: short stacking energy: -652.916
Base-Backbone interact. energy: 1.403
local terms energy: -674.504821
where:
bonds (distance) C4'-P energy: -115.044
bonds (distance) P-C4' energy: -123.063
flat angles C4'-P-C4' energy: -152.678
flat angles P-C4'-P energy: -92.416
tors. eta vs tors. theta energy: -191.304
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: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2176.283180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.283180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.283180 (E_RNA)
where:
Base-Base interactions energy: -1526.013
where: short stacking energy: -593.778
Base-Backbone interact. energy: -2.659
local terms energy: -647.611174
where:
bonds (distance) C4'-P energy: -121.104
bonds (distance) P-C4' energy: -117.625
flat angles C4'-P-C4' energy: -142.029
flat angles P-C4'-P energy: -83.553
tors. eta vs tors. theta energy: -183.300
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: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2022.621817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.621817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.621817 (E_RNA)
where:
Base-Base interactions energy: -1389.083
where: short stacking energy: -580.090
Base-Backbone interact. energy: -3.333
local terms energy: -630.205847
where:
bonds (distance) C4'-P energy: -120.547
bonds (distance) P-C4' energy: -133.433
flat angles C4'-P-C4' energy: -128.606
flat angles P-C4'-P energy: -77.867
tors. eta vs tors. theta energy: -169.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1897.379154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.379154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.379154 (E_RNA)
where:
Base-Base interactions energy: -1311.709
where: short stacking energy: -541.478
Base-Backbone interact. energy: 9.727
local terms energy: -595.397419
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -105.124
flat angles C4'-P-C4' energy: -132.045
flat angles P-C4'-P energy: -94.831
tors. eta vs tors. theta energy: -159.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1803.565954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.565954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.565954 (E_RNA)
where:
Base-Base interactions energy: -1245.101
where: short stacking energy: -514.370
Base-Backbone interact. energy: 5.010
local terms energy: -563.474672
where:
bonds (distance) C4'-P energy: -92.367
bonds (distance) P-C4' energy: -111.968
flat angles C4'-P-C4' energy: -135.569
flat angles P-C4'-P energy: -71.998
tors. eta vs tors. theta energy: -151.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1644.346524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.346524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.346524 (E_RNA)
where:
Base-Base interactions energy: -1118.048
where: short stacking energy: -439.389
Base-Backbone interact. energy: -2.331
local terms energy: -523.968267
where:
bonds (distance) C4'-P energy: -107.966
bonds (distance) P-C4' energy: -116.218
flat angles C4'-P-C4' energy: -109.085
flat angles P-C4'-P energy: -81.486
tors. eta vs tors. theta energy: -109.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1512.105046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.105046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.105046 (E_RNA)
where:
Base-Base interactions energy: -999.881
where: short stacking energy: -439.269
Base-Backbone interact. energy: -3.013
local terms energy: -509.211428
where:
bonds (distance) C4'-P energy: -106.486
bonds (distance) P-C4' energy: -112.288
flat angles C4'-P-C4' energy: -104.633
flat angles P-C4'-P energy: -73.624
tors. eta vs tors. theta energy: -112.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -990.840266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.840266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.840266 (E_RNA)
where:
Base-Base interactions energy: -561.316
where: short stacking energy: -282.320
Base-Backbone interact. energy: -1.546
local terms energy: -427.978065
where:
bonds (distance) C4'-P energy: -84.205
bonds (distance) P-C4' energy: -113.479
flat angles C4'-P-C4' energy: -114.190
flat angles P-C4'-P energy: -71.056
tors. eta vs tors. theta energy: -45.048
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: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -609.806308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.806308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.806308 (E_RNA)
where:
Base-Base interactions energy: -260.950
where: short stacking energy: -154.937
Base-Backbone interact. energy: 2.950
local terms energy: -351.805675
where:
bonds (distance) C4'-P energy: -100.838
bonds (distance) P-C4' energy: -110.106
flat angles C4'-P-C4' energy: -95.987
flat angles P-C4'-P energy: -58.477
tors. eta vs tors. theta energy: 13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -430.784814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.784814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.784814 (E_RNA)
where:
Base-Base interactions energy: -157.314
where: short stacking energy: -128.206
Base-Backbone interact. energy: -0.728
local terms energy: -272.742810
where:
bonds (distance) C4'-P energy: -85.129
bonds (distance) P-C4' energy: -102.750
flat angles C4'-P-C4' energy: -80.118
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: 22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2277.736787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.736787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.736787 (E_RNA)
where:
Base-Base interactions energy: -1603.741
where: short stacking energy: -616.478
Base-Backbone interact. energy: -2.355
local terms energy: -671.640301
where:
bonds (distance) C4'-P energy: -130.744
bonds (distance) P-C4' energy: -118.212
flat angles C4'-P-C4' energy: -152.905
flat angles P-C4'-P energy: -94.170
tors. eta vs tors. theta energy: -175.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2201.056699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.056699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.056699 (E_RNA)
where:
Base-Base interactions energy: -1540.325
where: short stacking energy: -606.122
Base-Backbone interact. energy: -3.246
local terms energy: -657.485814
where:
bonds (distance) C4'-P energy: -127.485
bonds (distance) P-C4' energy: -113.359
flat angles C4'-P-C4' energy: -140.891
flat angles P-C4'-P energy: -94.715
tors. eta vs tors. theta energy: -181.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2025.272243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.272243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.272243 (E_RNA)
where:
Base-Base interactions energy: -1428.584
where: short stacking energy: -559.794
Base-Backbone interact. energy: 2.453
local terms energy: -599.141595
where:
bonds (distance) C4'-P energy: -121.990
bonds (distance) P-C4' energy: -86.981
flat angles C4'-P-C4' energy: -123.559
flat angles P-C4'-P energy: -87.735
tors. eta vs tors. theta energy: -178.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1939.427434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.427434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.427434 (E_RNA)
where:
Base-Base interactions energy: -1311.175
where: short stacking energy: -553.250
Base-Backbone interact. energy: 10.084
local terms energy: -638.336705
where:
bonds (distance) C4'-P energy: -117.846
bonds (distance) P-C4' energy: -126.420
flat angles C4'-P-C4' energy: -136.088
flat angles P-C4'-P energy: -85.578
tors. eta vs tors. theta energy: -172.404
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: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1802.836822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.836822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.836822 (E_RNA)
where:
Base-Base interactions energy: -1203.313
where: short stacking energy: -491.642
Base-Backbone interact. energy: -0.768
local terms energy: -598.755577
where:
bonds (distance) C4'-P energy: -115.011
bonds (distance) P-C4' energy: -127.938
flat angles C4'-P-C4' energy: -129.323
flat angles P-C4'-P energy: -82.666
tors. eta vs tors. theta energy: -143.817
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: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1660.461819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.461819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.461819 (E_RNA)
where:
Base-Base interactions energy: -1126.171
where: short stacking energy: -449.780
Base-Backbone interact. energy: 0.319
local terms energy: -534.610047
where:
bonds (distance) C4'-P energy: -117.908
bonds (distance) P-C4' energy: -110.070
flat angles C4'-P-C4' energy: -120.207
flat angles P-C4'-P energy: -66.701
tors. eta vs tors. theta energy: -119.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1482.762462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.762462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.762462 (E_RNA)
where:
Base-Base interactions energy: -1000.646
where: short stacking energy: -386.054
Base-Backbone interact. energy: 0.231
local terms energy: -482.347280
where:
bonds (distance) C4'-P energy: -90.231
bonds (distance) P-C4' energy: -101.015
flat angles C4'-P-C4' energy: -129.403
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -109.306
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: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -964.038046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.038046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.038046 (E_RNA)
where:
Base-Base interactions energy: -583.420
where: short stacking energy: -259.507
Base-Backbone interact. energy: 0.053
local terms energy: -380.670355
where:
bonds (distance) C4'-P energy: -94.533
bonds (distance) P-C4' energy: -101.444
flat angles C4'-P-C4' energy: -87.683
flat angles P-C4'-P energy: -69.418
tors. eta vs tors. theta energy: -27.593
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: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -686.525479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.525479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.525479 (E_RNA)
where:
Base-Base interactions energy: -318.278
where: short stacking energy: -188.404
Base-Backbone interact. energy: -2.677
local terms energy: -365.570774
where:
bonds (distance) C4'-P energy: -111.742
bonds (distance) P-C4' energy: -107.449
flat angles C4'-P-C4' energy: -88.687
flat angles P-C4'-P energy: -44.674
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -475.262202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.262202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.262202 (E_RNA)
where:
Base-Base interactions energy: -158.704
where: short stacking energy: -114.432
Base-Backbone interact. energy: -1.482
local terms energy: -315.076306
where:
bonds (distance) C4'-P energy: -103.365
bonds (distance) P-C4' energy: -105.745
flat angles C4'-P-C4' energy: -91.821
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: 26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2291.730622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.730622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.730622 (E_RNA)
where:
Base-Base interactions energy: -1598.642
where: short stacking energy: -616.350
Base-Backbone interact. energy: 6.190
local terms energy: -699.278767
where:
bonds (distance) C4'-P energy: -134.587
bonds (distance) P-C4' energy: -122.611
flat angles C4'-P-C4' energy: -146.875
flat angles P-C4'-P energy: -102.012
tors. eta vs tors. theta energy: -193.193
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: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2189.145206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.145206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.145206 (E_RNA)
where:
Base-Base interactions energy: -1518.217
where: short stacking energy: -606.957
Base-Backbone interact. energy: -5.878
local terms energy: -665.050335
where:
bonds (distance) C4'-P energy: -119.245
bonds (distance) P-C4' energy: -121.088
flat angles C4'-P-C4' energy: -138.722
flat angles P-C4'-P energy: -99.465
tors. eta vs tors. theta energy: -186.529
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: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2027.709167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.709167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.709167 (E_RNA)
where:
Base-Base interactions energy: -1371.436
where: short stacking energy: -567.615
Base-Backbone interact. energy: -3.049
local terms energy: -653.223990
where:
bonds (distance) C4'-P energy: -131.375
bonds (distance) P-C4' energy: -120.187
flat angles C4'-P-C4' energy: -135.589
flat angles P-C4'-P energy: -86.702
tors. eta vs tors. theta energy: -179.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1896.747019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.747019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.747019 (E_RNA)
where:
Base-Base interactions energy: -1307.305
where: short stacking energy: -535.098
Base-Backbone interact. energy: 5.470
local terms energy: -594.911756
where:
bonds (distance) C4'-P energy: -114.547
bonds (distance) P-C4' energy: -117.372
flat angles C4'-P-C4' energy: -125.089
flat angles P-C4'-P energy: -84.340
tors. eta vs tors. theta energy: -153.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1791.136856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.136856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.136856 (E_RNA)
where:
Base-Base interactions energy: -1258.654
where: short stacking energy: -499.498
Base-Backbone interact. energy: 0.984
local terms energy: -533.466952
where:
bonds (distance) C4'-P energy: -98.049
bonds (distance) P-C4' energy: -109.382
flat angles C4'-P-C4' energy: -124.337
flat angles P-C4'-P energy: -66.287
tors. eta vs tors. theta energy: -135.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1641.511289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.511289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.511289 (E_RNA)
where:
Base-Base interactions energy: -1102.116
where: short stacking energy: -453.821
Base-Backbone interact. energy: -0.606
local terms energy: -538.788694
where:
bonds (distance) C4'-P energy: -112.023
bonds (distance) P-C4' energy: -120.243
flat angles C4'-P-C4' energy: -120.695
flat angles P-C4'-P energy: -53.721
tors. eta vs tors. theta energy: -132.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1576.655108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.655108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.655108 (E_RNA)
where:
Base-Base interactions energy: -1055.175
where: short stacking energy: -435.673
Base-Backbone interact. energy: -0.047
local terms energy: -521.433514
where:
bonds (distance) C4'-P energy: -106.797
bonds (distance) P-C4' energy: -107.468
flat angles C4'-P-C4' energy: -114.802
flat angles P-C4'-P energy: -71.520
tors. eta vs tors. theta energy: -120.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -973.637787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.637787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.637787 (E_RNA)
where:
Base-Base interactions energy: -564.443
where: short stacking energy: -248.694
Base-Backbone interact. energy: -1.368
local terms energy: -407.827323
where:
bonds (distance) C4'-P energy: -93.828
bonds (distance) P-C4' energy: -131.200
flat angles C4'-P-C4' energy: -95.726
flat angles P-C4'-P energy: -54.637
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: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -684.019299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.019299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.019299 (E_RNA)
where:
Base-Base interactions energy: -314.486
where: short stacking energy: -180.184
Base-Backbone interact. energy: 0.804
local terms energy: -370.337752
where:
bonds (distance) C4'-P energy: -100.758
bonds (distance) P-C4' energy: -116.360
flat angles C4'-P-C4' energy: -98.132
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -446.098633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.098633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.098633 (E_RNA)
where:
Base-Base interactions energy: -143.673
where: short stacking energy: -126.774
Base-Backbone interact. energy: -3.122
local terms energy: -299.304191
where:
bonds (distance) C4'-P energy: -96.105
bonds (distance) P-C4' energy: -116.030
flat angles C4'-P-C4' energy: -73.288
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: 26.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2307.992384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.992384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.992384 (E_RNA)
where:
Base-Base interactions energy: -1650.362
where: short stacking energy: -644.510
Base-Backbone interact. energy: 1.794
local terms energy: -659.424655
where:
bonds (distance) C4'-P energy: -113.840
bonds (distance) P-C4' energy: -119.464
flat angles C4'-P-C4' energy: -134.251
flat angles P-C4'-P energy: -98.152
tors. eta vs tors. theta energy: -193.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2183.056215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.056215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.056215 (E_RNA)
where:
Base-Base interactions energy: -1514.952
where: short stacking energy: -589.835
Base-Backbone interact. energy: -1.835
local terms energy: -666.269142
where:
bonds (distance) C4'-P energy: -123.965
bonds (distance) P-C4' energy: -124.517
flat angles C4'-P-C4' energy: -149.761
flat angles P-C4'-P energy: -88.578
tors. eta vs tors. theta energy: -179.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2067.875507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.875507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.875507 (E_RNA)
where:
Base-Base interactions energy: -1385.098
where: short stacking energy: -576.294
Base-Backbone interact. energy: -2.540
local terms energy: -680.236931
where:
bonds (distance) C4'-P energy: -133.188
bonds (distance) P-C4' energy: -133.456
flat angles C4'-P-C4' energy: -140.461
flat angles P-C4'-P energy: -89.393
tors. eta vs tors. theta energy: -183.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1925.090777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.090777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.090777 (E_RNA)
where:
Base-Base interactions energy: -1337.139
where: short stacking energy: -554.826
Base-Backbone interact. energy: -1.286
local terms energy: -586.665926
where:
bonds (distance) C4'-P energy: -108.745
bonds (distance) P-C4' energy: -101.020
flat angles C4'-P-C4' energy: -128.300
flat angles P-C4'-P energy: -85.744
tors. eta vs tors. theta energy: -162.857
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: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1796.439671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.439671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.439671 (E_RNA)
where:
Base-Base interactions energy: -1243.532
where: short stacking energy: -479.934
Base-Backbone interact. energy: -2.785
local terms energy: -550.122519
where:
bonds (distance) C4'-P energy: -113.509
bonds (distance) P-C4' energy: -123.532
flat angles C4'-P-C4' energy: -123.326
flat angles P-C4'-P energy: -74.107
tors. eta vs tors. theta energy: -115.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1699.485303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.485303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.485303 (E_RNA)
where:
Base-Base interactions energy: -1172.627
where: short stacking energy: -472.850
Base-Backbone interact. energy: 2.068
local terms energy: -528.926492
where:
bonds (distance) C4'-P energy: -105.984
bonds (distance) P-C4' energy: -90.161
flat angles C4'-P-C4' energy: -120.549
flat angles P-C4'-P energy: -82.356
tors. eta vs tors. theta energy: -129.877
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: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1623.566515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.566515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.566515 (E_RNA)
where:
Base-Base interactions energy: -1074.989
where: short stacking energy: -440.464
Base-Backbone interact. energy: -1.076
local terms energy: -547.502110
where:
bonds (distance) C4'-P energy: -114.844
bonds (distance) P-C4' energy: -107.166
flat angles C4'-P-C4' energy: -129.655
flat angles P-C4'-P energy: -70.247
tors. eta vs tors. theta energy: -125.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -946.724333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.724333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.724333 (E_RNA)
where:
Base-Base interactions energy: -533.764
where: short stacking energy: -243.054
Base-Backbone interact. energy: -0.989
local terms energy: -411.971901
where:
bonds (distance) C4'-P energy: -110.215
bonds (distance) P-C4' energy: -89.863
flat angles C4'-P-C4' energy: -109.728
flat angles P-C4'-P energy: -60.177
tors. eta vs tors. theta energy: -41.990
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: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -715.392227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.392227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.392227 (E_RNA)
where:
Base-Base interactions energy: -357.071
where: short stacking energy: -189.685
Base-Backbone interact. energy: -4.711
local terms energy: -353.609756
where:
bonds (distance) C4'-P energy: -100.912
bonds (distance) P-C4' energy: -112.399
flat angles C4'-P-C4' energy: -86.844
flat angles P-C4'-P energy: -54.705
tors. eta vs tors. theta energy: 1.250
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: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -435.138311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.138311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.138311 (E_RNA)
where:
Base-Base interactions energy: -141.989
where: short stacking energy: -114.606
Base-Backbone interact. energy: -3.073
local terms energy: -290.076179
where:
bonds (distance) C4'-P energy: -96.345
bonds (distance) P-C4' energy: -109.101
flat angles C4'-P-C4' energy: -72.634
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: 33.330
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: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2288.669939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.669939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.669939 (E_RNA)
where:
Base-Base interactions energy: -1616.757
where: short stacking energy: -627.652
Base-Backbone interact. energy: -4.154
local terms energy: -667.758971
where:
bonds (distance) C4'-P energy: -115.213
bonds (distance) P-C4' energy: -132.024
flat angles C4'-P-C4' energy: -142.670
flat angles P-C4'-P energy: -93.646
tors. eta vs tors. theta energy: -184.205
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: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2174.635425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.635425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.635425 (E_RNA)
where:
Base-Base interactions energy: -1532.840
where: short stacking energy: -602.690
Base-Backbone interact. energy: 1.016
local terms energy: -642.811488
where:
bonds (distance) C4'-P energy: -129.175
bonds (distance) P-C4' energy: -103.864
flat angles C4'-P-C4' energy: -142.400
flat angles P-C4'-P energy: -84.113
tors. eta vs tors. theta energy: -183.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2034.535962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.535962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.535962 (E_RNA)
where:
Base-Base interactions energy: -1407.977
where: short stacking energy: -573.369
Base-Backbone interact. energy: -4.053
local terms energy: -622.505582
where:
bonds (distance) C4'-P energy: -114.449
bonds (distance) P-C4' energy: -118.334
flat angles C4'-P-C4' energy: -130.969
flat angles P-C4'-P energy: -89.989
tors. eta vs tors. theta energy: -168.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1913.344909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.344909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.344909 (E_RNA)
where:
Base-Base interactions energy: -1303.659
where: short stacking energy: -529.388
Base-Backbone interact. energy: 0.388
local terms energy: -610.074368
where:
bonds (distance) C4'-P energy: -126.182
bonds (distance) P-C4' energy: -109.534
flat angles C4'-P-C4' energy: -135.489
flat angles P-C4'-P energy: -83.884
tors. eta vs tors. theta energy: -154.985
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1826.365524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.365524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.365524 (E_RNA)
where:
Base-Base interactions energy: -1243.380
where: short stacking energy: -507.513
Base-Backbone interact. energy: -1.450
local terms energy: -581.535285
where:
bonds (distance) C4'-P energy: -111.748
bonds (distance) P-C4' energy: -98.292
flat angles C4'-P-C4' energy: -136.800
flat angles P-C4'-P energy: -84.685
tors. eta vs tors. theta energy: -150.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1759.656385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.656385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.656385 (E_RNA)
where:
Base-Base interactions energy: -1208.545
where: short stacking energy: -483.161
Base-Backbone interact. energy: -5.046
local terms energy: -546.065321
where:
bonds (distance) C4'-P energy: -105.663
bonds (distance) P-C4' energy: -109.283
flat angles C4'-P-C4' energy: -121.829
flat angles P-C4'-P energy: -78.831
tors. eta vs tors. theta energy: -130.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1585.699218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.699218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.699218 (E_RNA)
where:
Base-Base interactions energy: -1065.340
where: short stacking energy: -453.830
Base-Backbone interact. energy: -1.538
local terms energy: -518.821771
where:
bonds (distance) C4'-P energy: -119.331
bonds (distance) P-C4' energy: -107.573
flat angles C4'-P-C4' energy: -108.075
flat angles P-C4'-P energy: -72.581
tors. eta vs tors. theta energy: -111.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -990.319995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.319995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.319995 (E_RNA)
where:
Base-Base interactions energy: -598.480
where: short stacking energy: -265.135
Base-Backbone interact. energy: 0.342
local terms energy: -392.182102
where:
bonds (distance) C4'-P energy: -103.144
bonds (distance) P-C4' energy: -91.327
flat angles C4'-P-C4' energy: -91.553
flat angles P-C4'-P energy: -67.729
tors. eta vs tors. theta energy: -38.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -732.674480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.674480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.674480 (E_RNA)
where:
Base-Base interactions energy: -355.139
where: short stacking energy: -197.034
Base-Backbone interact. energy: -1.160
local terms energy: -376.374932
where:
bonds (distance) C4'-P energy: -100.567
bonds (distance) P-C4' energy: -102.334
flat angles C4'-P-C4' energy: -108.266
flat angles P-C4'-P energy: -52.522
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -455.547234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.547234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.547234 (E_RNA)
where:
Base-Base interactions energy: -127.627
where: short stacking energy: -121.105
Base-Backbone interact. energy: 6.947
local terms energy: -334.867697
where:
bonds (distance) C4'-P energy: -107.785
bonds (distance) P-C4' energy: -105.268
flat angles C4'-P-C4' energy: -91.725
flat angles P-C4'-P energy: -48.882
tors. eta vs tors. theta energy: 18.793
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: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2309.444271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.444271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.444271 (E_RNA)
where:
Base-Base interactions energy: -1616.321
where: short stacking energy: -638.948
Base-Backbone interact. energy: -4.994
local terms energy: -688.129992
where:
bonds (distance) C4'-P energy: -133.607
bonds (distance) P-C4' energy: -121.253
flat angles C4'-P-C4' energy: -146.885
flat angles P-C4'-P energy: -99.790
tors. eta vs tors. theta energy: -186.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2198.255510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.255510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.255510 (E_RNA)
where:
Base-Base interactions energy: -1531.444
where: short stacking energy: -603.136
Base-Backbone interact. energy: -3.871
local terms energy: -662.941248
where:
bonds (distance) C4'-P energy: -114.377
bonds (distance) P-C4' energy: -119.721
flat angles C4'-P-C4' energy: -145.330
flat angles P-C4'-P energy: -106.566
tors. eta vs tors. theta energy: -176.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2039.288178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.288178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.288178 (E_RNA)
where:
Base-Base interactions energy: -1402.562
where: short stacking energy: -573.461
Base-Backbone interact. energy: -2.097
local terms energy: -634.629723
where:
bonds (distance) C4'-P energy: -121.483
bonds (distance) P-C4' energy: -119.651
flat angles C4'-P-C4' energy: -143.205
flat angles P-C4'-P energy: -76.879
tors. eta vs tors. theta energy: -173.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1922.108262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.108262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.108262 (E_RNA)
where:
Base-Base interactions energy: -1301.555
where: short stacking energy: -569.841
Base-Backbone interact. energy: 4.565
local terms energy: -625.117929
where:
bonds (distance) C4'-P energy: -112.951
bonds (distance) P-C4' energy: -113.318
flat angles C4'-P-C4' energy: -151.426
flat angles P-C4'-P energy: -84.221
tors. eta vs tors. theta energy: -163.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1828.158065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.158065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.158065 (E_RNA)
where:
Base-Base interactions energy: -1263.936
where: short stacking energy: -519.915
Base-Backbone interact. energy: -0.332
local terms energy: -563.890123
where:
bonds (distance) C4'-P energy: -90.194
bonds (distance) P-C4' energy: -121.877
flat angles C4'-P-C4' energy: -122.118
flat angles P-C4'-P energy: -74.024
tors. eta vs tors. theta energy: -155.677
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: 230
Temperature: 1.150000
Total energy: -1758.629376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.629376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.629376 (E_RNA)
where:
Base-Base interactions energy: -1202.686
where: short stacking energy: -455.102
Base-Backbone interact. energy: -1.574
local terms energy: -554.369287
where:
bonds (distance) C4'-P energy: -106.366
bonds (distance) P-C4' energy: -117.688
flat angles C4'-P-C4' energy: -117.928
flat angles P-C4'-P energy: -69.142
tors. eta vs tors. theta energy: -143.246
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: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1611.924925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.924925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.924925 (E_RNA)
where:
Base-Base interactions energy: -1066.135
where: short stacking energy: -436.869
Base-Backbone interact. energy: 0.299
local terms energy: -546.088848
where:
bonds (distance) C4'-P energy: -113.506
bonds (distance) P-C4' energy: -97.742
flat angles C4'-P-C4' energy: -122.821
flat angles P-C4'-P energy: -74.936
tors. eta vs tors. theta energy: -137.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -911.575260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.575260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.575260 (E_RNA)
where:
Base-Base interactions energy: -522.575
where: short stacking energy: -237.663
Base-Backbone interact. energy: -1.439
local terms energy: -387.561286
where:
bonds (distance) C4'-P energy: -110.736
bonds (distance) P-C4' energy: -104.724
flat angles C4'-P-C4' energy: -80.384
flat angles P-C4'-P energy: -56.458
tors. eta vs tors. theta energy: -35.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -663.270022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.270022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.270022 (E_RNA)
where:
Base-Base interactions energy: -292.034
where: short stacking energy: -164.581
Base-Backbone interact. energy: -1.518
local terms energy: -369.718698
where:
bonds (distance) C4'-P energy: -116.543
bonds (distance) P-C4' energy: -96.219
flat angles C4'-P-C4' energy: -97.588
flat angles P-C4'-P energy: -60.655
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: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -473.099889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.099889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.099889 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -110.293
Base-Backbone interact. energy: -0.261
local terms energy: -331.138256
where:
bonds (distance) C4'-P energy: -111.918
bonds (distance) P-C4' energy: -102.338
flat angles C4'-P-C4' energy: -79.558
flat angles P-C4'-P energy: -58.196
tors. eta vs tors. theta energy: 20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2324.291542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.291542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.291542 (E_RNA)
where:
Base-Base interactions energy: -1636.610
where: short stacking energy: -641.186
Base-Backbone interact. energy: -0.281
local terms energy: -687.400624
where:
bonds (distance) C4'-P energy: -126.048
bonds (distance) P-C4' energy: -124.597
flat angles C4'-P-C4' energy: -140.570
flat angles P-C4'-P energy: -102.767
tors. eta vs tors. theta energy: -193.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2207.855150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.855150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.855150 (E_RNA)
where:
Base-Base interactions energy: -1540.020
where: short stacking energy: -591.971
Base-Backbone interact. energy: -2.340
local terms energy: -665.495088
where:
bonds (distance) C4'-P energy: -123.974
bonds (distance) P-C4' energy: -128.427
flat angles C4'-P-C4' energy: -143.851
flat angles P-C4'-P energy: -97.838
tors. eta vs tors. theta energy: -171.405
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: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2063.629757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.629757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.629757 (E_RNA)
where:
Base-Base interactions energy: -1418.603
where: short stacking energy: -577.833
Base-Backbone interact. energy: -2.432
local terms energy: -642.595389
where:
bonds (distance) C4'-P energy: -112.658
bonds (distance) P-C4' energy: -115.548
flat angles C4'-P-C4' energy: -135.044
flat angles P-C4'-P energy: -100.244
tors. eta vs tors. theta energy: -179.101
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: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1886.415587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.415587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.415587 (E_RNA)
where:
Base-Base interactions energy: -1292.084
where: short stacking energy: -551.061
Base-Backbone interact. energy: -1.018
local terms energy: -593.313156
where:
bonds (distance) C4'-P energy: -114.457
bonds (distance) P-C4' energy: -111.534
flat angles C4'-P-C4' energy: -125.395
flat angles P-C4'-P energy: -81.449
tors. eta vs tors. theta energy: -160.477
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1850.408923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.408923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.408923 (E_RNA)
where:
Base-Base interactions energy: -1269.947
where: short stacking energy: -511.771
Base-Backbone interact. energy: 0.255
local terms energy: -580.717443
where:
bonds (distance) C4'-P energy: -119.729
bonds (distance) P-C4' energy: -109.092
flat angles C4'-P-C4' energy: -124.083
flat angles P-C4'-P energy: -81.778
tors. eta vs tors. theta energy: -146.036
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: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1747.207260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.207260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.207260 (E_RNA)
where:
Base-Base interactions energy: -1193.627
where: short stacking energy: -478.610
Base-Backbone interact. energy: 2.378
local terms energy: -555.958235
where:
bonds (distance) C4'-P energy: -114.385
bonds (distance) P-C4' energy: -107.779
flat angles C4'-P-C4' energy: -120.922
flat angles P-C4'-P energy: -75.849
tors. eta vs tors. theta energy: -137.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1591.563949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.563949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.563949 (E_RNA)
where:
Base-Base interactions energy: -1057.474
where: short stacking energy: -439.793
Base-Backbone interact. energy: 0.204
local terms energy: -534.294747
where:
bonds (distance) C4'-P energy: -114.144
bonds (distance) P-C4' energy: -107.711
flat angles C4'-P-C4' energy: -117.860
flat angles P-C4'-P energy: -77.206
tors. eta vs tors. theta energy: -117.374
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: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -815.727273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.727273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.727273 (E_RNA)
where:
Base-Base interactions energy: -441.267
where: short stacking energy: -218.557
Base-Backbone interact. energy: -2.825
local terms energy: -371.634922
where:
bonds (distance) C4'-P energy: -91.150
bonds (distance) P-C4' energy: -111.707
flat angles C4'-P-C4' energy: -88.885
flat angles P-C4'-P energy: -53.510
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: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -685.291094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.291094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.291094 (E_RNA)
where:
Base-Base interactions energy: -346.610
where: short stacking energy: -197.999
Base-Backbone interact. energy: -2.958
local terms energy: -335.723706
where:
bonds (distance) C4'-P energy: -111.712
bonds (distance) P-C4' energy: -97.458
flat angles C4'-P-C4' energy: -92.017
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: 13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -465.390129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.390129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.390129 (E_RNA)
where:
Base-Base interactions energy: -145.874
where: short stacking energy: -121.513
Base-Backbone interact. energy: 3.123
local terms energy: -322.638951
where:
bonds (distance) C4'-P energy: -88.273
bonds (distance) P-C4' energy: -102.660
flat angles C4'-P-C4' energy: -76.954
flat angles P-C4'-P energy: -70.384
tors. eta vs tors. theta energy: 15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2300.931390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.931390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.931390 (E_RNA)
where:
Base-Base interactions energy: -1608.970
where: short stacking energy: -629.842
Base-Backbone interact. energy: -2.495
local terms energy: -689.466248
where:
bonds (distance) C4'-P energy: -131.780
bonds (distance) P-C4' energy: -131.247
flat angles C4'-P-C4' energy: -145.197
flat angles P-C4'-P energy: -89.197
tors. eta vs tors. theta energy: -192.046
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: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2194.077541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.077541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.077541 (E_RNA)
where:
Base-Base interactions energy: -1541.914
where: short stacking energy: -607.305
Base-Backbone interact. energy: -6.172
local terms energy: -645.990965
where:
bonds (distance) C4'-P energy: -118.640
bonds (distance) P-C4' energy: -123.610
flat angles C4'-P-C4' energy: -133.581
flat angles P-C4'-P energy: -93.259
tors. eta vs tors. theta energy: -176.901
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2033.337240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.337240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.337240 (E_RNA)
where:
Base-Base interactions energy: -1401.233
where: short stacking energy: -570.970
Base-Backbone interact. energy: 1.236
local terms energy: -633.339874
where:
bonds (distance) C4'-P energy: -111.542
bonds (distance) P-C4' energy: -109.865
flat angles C4'-P-C4' energy: -145.283
flat angles P-C4'-P energy: -81.846
tors. eta vs tors. theta energy: -184.803
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1840.028937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.028937 (E_RNA)
where:
Base-Base interactions energy: -1247.612
where: short stacking energy: -531.405
Base-Backbone interact. energy: 2.836
local terms energy: -595.252849
where:
bonds (distance) C4'-P energy: -119.922
bonds (distance) P-C4' energy: -103.214
flat angles C4'-P-C4' energy: -132.245
flat angles P-C4'-P energy: -90.934
tors. eta vs tors. theta energy: -148.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1817.731519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.731519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.731519 (E_RNA)
where:
Base-Base interactions energy: -1263.095
where: short stacking energy: -499.349
Base-Backbone interact. energy: 1.866
local terms energy: -556.503205
where:
bonds (distance) C4'-P energy: -94.429
bonds (distance) P-C4' energy: -110.826
flat angles C4'-P-C4' energy: -118.310
flat angles P-C4'-P energy: -77.487
tors. eta vs tors. theta energy: -155.451
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: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1745.328615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.328615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.328615 (E_RNA)
where:
Base-Base interactions energy: -1200.304
where: short stacking energy: -493.778
Base-Backbone interact. energy: 1.719
local terms energy: -546.743945
where:
bonds (distance) C4'-P energy: -116.104
bonds (distance) P-C4' energy: -107.086
flat angles C4'-P-C4' energy: -114.639
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -133.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1587.164122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.164122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.164122 (E_RNA)
where:
Base-Base interactions energy: -1037.132
where: short stacking energy: -440.639
Base-Backbone interact. energy: -2.785
local terms energy: -547.247307
where:
bonds (distance) C4'-P energy: -105.409
bonds (distance) P-C4' energy: -106.613
flat angles C4'-P-C4' energy: -120.793
flat angles P-C4'-P energy: -89.377
tors. eta vs tors. theta energy: -125.056
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: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -763.614135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.614135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.614135 (E_RNA)
where:
Base-Base interactions energy: -399.518
where: short stacking energy: -183.754
Base-Backbone interact. energy: 1.338
local terms energy: -365.434048
where:
bonds (distance) C4'-P energy: -96.909
bonds (distance) P-C4' energy: -111.527
flat angles C4'-P-C4' energy: -94.234
flat angles P-C4'-P energy: -54.259
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -678.797490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.797490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.797490 (E_RNA)
where:
Base-Base interactions energy: -326.103
where: short stacking energy: -186.914
Base-Backbone interact. energy: -0.043
local terms energy: -352.651972
where:
bonds (distance) C4'-P energy: -97.796
bonds (distance) P-C4' energy: -112.551
flat angles C4'-P-C4' energy: -93.618
flat angles P-C4'-P energy: -47.969
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -434.149982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.149982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.149982 (E_RNA)
where:
Base-Base interactions energy: -126.513
where: short stacking energy: -103.990
Base-Backbone interact. energy: 7.604
local terms energy: -315.240764
where:
bonds (distance) C4'-P energy: -104.563
bonds (distance) P-C4' energy: -108.017
flat angles C4'-P-C4' energy: -90.338
flat angles P-C4'-P energy: -41.545
tors. eta vs tors. theta energy: 29.222
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: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2311.493929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.493929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.493929 (E_RNA)
where:
Base-Base interactions energy: -1606.138
where: short stacking energy: -629.641
Base-Backbone interact. energy: -0.544
local terms energy: -704.811640
where:
bonds (distance) C4'-P energy: -130.810
bonds (distance) P-C4' energy: -130.385
flat angles C4'-P-C4' energy: -145.367
flat angles P-C4'-P energy: -108.021
tors. eta vs tors. theta energy: -190.229
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2222.737039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.737039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.737039 (E_RNA)
where:
Base-Base interactions energy: -1536.210
where: short stacking energy: -611.310
Base-Backbone interact. energy: -4.014
local terms energy: -682.512971
where:
bonds (distance) C4'-P energy: -129.581
bonds (distance) P-C4' energy: -137.434
flat angles C4'-P-C4' energy: -136.298
flat angles P-C4'-P energy: -90.484
tors. eta vs tors. theta energy: -188.716
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: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2043.908711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.908711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.908711 (E_RNA)
where:
Base-Base interactions energy: -1392.337
where: short stacking energy: -558.406
Base-Backbone interact. energy: -0.166
local terms energy: -651.405895
where:
bonds (distance) C4'-P energy: -123.538
bonds (distance) P-C4' energy: -122.536
flat angles C4'-P-C4' energy: -136.743
flat angles P-C4'-P energy: -92.102
tors. eta vs tors. theta energy: -176.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1891.516633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.516633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.516633 (E_RNA)
where:
Base-Base interactions energy: -1295.806
where: short stacking energy: -531.120
Base-Backbone interact. energy: -0.455
local terms energy: -595.256212
where:
bonds (distance) C4'-P energy: -118.963
bonds (distance) P-C4' energy: -121.721
flat angles C4'-P-C4' energy: -125.865
flat angles P-C4'-P energy: -74.921
tors. eta vs tors. theta energy: -153.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1832.881186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.881186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.881186 (E_RNA)
where:
Base-Base interactions energy: -1250.036
where: short stacking energy: -525.157
Base-Backbone interact. energy: -0.715
local terms energy: -582.130855
where:
bonds (distance) C4'-P energy: -112.608
bonds (distance) P-C4' energy: -106.901
flat angles C4'-P-C4' energy: -126.360
flat angles P-C4'-P energy: -91.667
tors. eta vs tors. theta energy: -144.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1765.442867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.442867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.442867 (E_RNA)
where:
Base-Base interactions energy: -1193.498
where: short stacking energy: -469.545
Base-Backbone interact. energy: -2.038
local terms energy: -569.907033
where:
bonds (distance) C4'-P energy: -117.868
bonds (distance) P-C4' energy: -113.838
flat angles C4'-P-C4' energy: -116.390
flat angles P-C4'-P energy: -86.213
tors. eta vs tors. theta energy: -135.598
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: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1631.903265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.903265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.903265 (E_RNA)
where:
Base-Base interactions energy: -1072.969
where: short stacking energy: -458.300
Base-Backbone interact. energy: 0.334
local terms energy: -559.268313
where:
bonds (distance) C4'-P energy: -121.298
bonds (distance) P-C4' energy: -103.258
flat angles C4'-P-C4' energy: -133.255
flat angles P-C4'-P energy: -74.318
tors. eta vs tors. theta energy: -127.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -707.553996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.553996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.553996 (E_RNA)
where:
Base-Base interactions energy: -330.311
where: short stacking energy: -199.890
Base-Backbone interact. energy: -2.625
local terms energy: -374.618032
where:
bonds (distance) C4'-P energy: -94.135
bonds (distance) P-C4' energy: -104.304
flat angles C4'-P-C4' energy: -99.607
flat angles P-C4'-P energy: -63.789
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -686.909734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.909734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.909734 (E_RNA)
where:
Base-Base interactions energy: -325.727
where: short stacking energy: -178.769
Base-Backbone interact. energy: 1.172
local terms energy: -362.354853
where:
bonds (distance) C4'-P energy: -119.724
bonds (distance) P-C4' energy: -108.010
flat angles C4'-P-C4' energy: -82.550
flat angles P-C4'-P energy: -57.485
tors. eta vs tors. theta energy: 5.415
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: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -438.518539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.518539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.518539 (E_RNA)
where:
Base-Base interactions energy: -123.917
where: short stacking energy: -116.772
Base-Backbone interact. energy: 0.782
local terms energy: -315.383502
where:
bonds (distance) C4'-P energy: -87.422
bonds (distance) P-C4' energy: -101.061
flat angles C4'-P-C4' energy: -102.735
flat angles P-C4'-P energy: -47.218
tors. eta vs tors. theta energy: 23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2289.903793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.903793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.903793 (E_RNA)
where:
Base-Base interactions energy: -1605.524
where: short stacking energy: -627.366
Base-Backbone interact. energy: 2.462
local terms energy: -686.842445
where:
bonds (distance) C4'-P energy: -124.873
bonds (distance) P-C4' energy: -134.049
flat angles C4'-P-C4' energy: -140.371
flat angles P-C4'-P energy: -107.124
tors. eta vs tors. theta energy: -180.426
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2211.261229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.261229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.261229 (E_RNA)
where:
Base-Base interactions energy: -1566.777
where: short stacking energy: -602.905
Base-Backbone interact. energy: -3.150
local terms energy: -641.334427
where:
bonds (distance) C4'-P energy: -125.512
bonds (distance) P-C4' energy: -124.430
flat angles C4'-P-C4' energy: -138.609
flat angles P-C4'-P energy: -84.965
tors. eta vs tors. theta energy: -167.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2054.414225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.414225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.414225 (E_RNA)
where:
Base-Base interactions energy: -1439.907
where: short stacking energy: -567.335
Base-Backbone interact. energy: -2.852
local terms energy: -611.656002
where:
bonds (distance) C4'-P energy: -107.917
bonds (distance) P-C4' energy: -122.130
flat angles C4'-P-C4' energy: -135.746
flat angles P-C4'-P energy: -80.585
tors. eta vs tors. theta energy: -165.277
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1865.014260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.014260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.014260 (E_RNA)
where:
Base-Base interactions energy: -1260.421
where: short stacking energy: -535.890
Base-Backbone interact. energy: 0.901
local terms energy: -605.494026
where:
bonds (distance) C4'-P energy: -105.824
bonds (distance) P-C4' energy: -122.061
flat angles C4'-P-C4' energy: -122.552
flat angles P-C4'-P energy: -91.563
tors. eta vs tors. theta energy: -163.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1846.894870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.894870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.894870 (E_RNA)
where:
Base-Base interactions energy: -1280.178
where: short stacking energy: -539.319
Base-Backbone interact. energy: 2.983
local terms energy: -569.699434
where:
bonds (distance) C4'-P energy: -119.036
bonds (distance) P-C4' energy: -114.042
flat angles C4'-P-C4' energy: -115.930
flat angles P-C4'-P energy: -87.140
tors. eta vs tors. theta energy: -133.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1751.329606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.329606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.329606 (E_RNA)
where:
Base-Base interactions energy: -1188.627
where: short stacking energy: -479.585
Base-Backbone interact. energy: -5.209
local terms energy: -557.493650
where:
bonds (distance) C4'-P energy: -104.194
bonds (distance) P-C4' energy: -121.856
flat angles C4'-P-C4' energy: -120.766
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -136.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1621.746533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.746533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.746533 (E_RNA)
where:
Base-Base interactions energy: -1057.832
where: short stacking energy: -443.548
Base-Backbone interact. energy: -2.624
local terms energy: -561.290363
where:
bonds (distance) C4'-P energy: -101.633
bonds (distance) P-C4' energy: -130.966
flat angles C4'-P-C4' energy: -129.954
flat angles P-C4'-P energy: -78.276
tors. eta vs tors. theta energy: -120.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -734.728632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.728632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.728632 (E_RNA)
where:
Base-Base interactions energy: -356.966
where: short stacking energy: -173.512
Base-Backbone interact. energy: 0.839
local terms energy: -378.601215
where:
bonds (distance) C4'-P energy: -111.465
bonds (distance) P-C4' energy: -100.592
flat angles C4'-P-C4' energy: -99.059
flat angles P-C4'-P energy: -51.538
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -746.053453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.053453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.053453 (E_RNA)
where:
Base-Base interactions energy: -385.001
where: short stacking energy: -211.857
Base-Backbone interact. energy: 2.865
local terms energy: -363.917537
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -104.971
flat angles C4'-P-C4' energy: -104.597
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -11.451
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: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -459.939613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.939613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.939613 (E_RNA)
where:
Base-Base interactions energy: -152.911
where: short stacking energy: -138.221
Base-Backbone interact. energy: 6.924
local terms energy: -313.953137
where:
bonds (distance) C4'-P energy: -100.599
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -77.287
flat angles P-C4'-P energy: -50.115
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: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2327.166758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.166758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.166758 (E_RNA)
where:
Base-Base interactions energy: -1656.964
where: short stacking energy: -631.177
Base-Backbone interact. energy: 6.868
local terms energy: -677.070538
where:
bonds (distance) C4'-P energy: -124.106
bonds (distance) P-C4' energy: -132.459
flat angles C4'-P-C4' energy: -138.175
flat angles P-C4'-P energy: -100.310
tors. eta vs tors. theta energy: -182.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2216.359518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.359518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.359518 (E_RNA)
where:
Base-Base interactions energy: -1554.125
where: short stacking energy: -604.865
Base-Backbone interact. energy: -4.299
local terms energy: -657.935487
where:
bonds (distance) C4'-P energy: -116.389
bonds (distance) P-C4' energy: -121.097
flat angles C4'-P-C4' energy: -143.633
flat angles P-C4'-P energy: -97.998
tors. eta vs tors. theta energy: -178.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2061.206706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.206706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.206706 (E_RNA)
where:
Base-Base interactions energy: -1433.778
where: short stacking energy: -572.351
Base-Backbone interact. energy: 0.129
local terms energy: -627.557164
where:
bonds (distance) C4'-P energy: -123.280
bonds (distance) P-C4' energy: -116.177
flat angles C4'-P-C4' energy: -133.925
flat angles P-C4'-P energy: -86.692
tors. eta vs tors. theta energy: -167.484
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: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1876.859812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.859812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.859812 (E_RNA)
where:
Base-Base interactions energy: -1285.678
where: short stacking energy: -544.268
Base-Backbone interact. energy: 3.682
local terms energy: -594.864168
where:
bonds (distance) C4'-P energy: -109.732
bonds (distance) P-C4' energy: -123.929
flat angles C4'-P-C4' energy: -125.661
flat angles P-C4'-P energy: -87.924
tors. eta vs tors. theta energy: -147.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1818.079799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.079799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.079799 (E_RNA)
where:
Base-Base interactions energy: -1249.074
where: short stacking energy: -509.638
Base-Backbone interact. energy: -5.482
local terms energy: -563.524229
where:
bonds (distance) C4'-P energy: -115.033
bonds (distance) P-C4' energy: -110.250
flat angles C4'-P-C4' energy: -108.211
flat angles P-C4'-P energy: -85.381
tors. eta vs tors. theta energy: -144.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1731.689875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.689875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.689875 (E_RNA)
where:
Base-Base interactions energy: -1161.948
where: short stacking energy: -478.886
Base-Backbone interact. energy: -3.807
local terms energy: -565.934375
where:
bonds (distance) C4'-P energy: -111.009
bonds (distance) P-C4' energy: -119.732
flat angles C4'-P-C4' energy: -120.198
flat angles P-C4'-P energy: -86.907
tors. eta vs tors. theta energy: -128.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1517.046451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.046451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.046451 (E_RNA)
where:
Base-Base interactions energy: -994.156
where: short stacking energy: -409.720
Base-Backbone interact. energy: 2.579
local terms energy: -525.469798
where:
bonds (distance) C4'-P energy: -109.793
bonds (distance) P-C4' energy: -118.041
flat angles C4'-P-C4' energy: -109.860
flat angles P-C4'-P energy: -73.087
tors. eta vs tors. theta energy: -114.690
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: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -781.825311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.825311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.825311 (E_RNA)
where:
Base-Base interactions energy: -410.536
where: short stacking energy: -201.060
Base-Backbone interact. energy: -0.613
local terms energy: -370.675857
where:
bonds (distance) C4'-P energy: -102.934
bonds (distance) P-C4' energy: -109.494
flat angles C4'-P-C4' energy: -91.176
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -702.666146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.666146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.666146 (E_RNA)
where:
Base-Base interactions energy: -351.837
where: short stacking energy: -198.813
Base-Backbone interact. energy: 2.891
local terms energy: -353.720008
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -114.519
flat angles C4'-P-C4' energy: -80.321
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -445.502992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.502992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.502992 (E_RNA)
where:
Base-Base interactions energy: -123.404
where: short stacking energy: -113.129
Base-Backbone interact. energy: -1.659
local terms energy: -320.440586
where:
bonds (distance) C4'-P energy: -110.074
bonds (distance) P-C4' energy: -118.372
flat angles C4'-P-C4' energy: -82.686
flat angles P-C4'-P energy: -42.217
tors. eta vs tors. theta energy: 32.907
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: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2287.396160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.396160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.396160 (E_RNA)
where:
Base-Base interactions energy: -1631.492
where: short stacking energy: -615.225
Base-Backbone interact. energy: 2.256
local terms energy: -658.160092
where:
bonds (distance) C4'-P energy: -125.404
bonds (distance) P-C4' energy: -117.849
flat angles C4'-P-C4' energy: -142.556
flat angles P-C4'-P energy: -84.747
tors. eta vs tors. theta energy: -187.604
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: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2241.042465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.042465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.042465 (E_RNA)
where:
Base-Base interactions energy: -1578.366
where: short stacking energy: -592.998
Base-Backbone interact. energy: -4.546
local terms energy: -658.131080
where:
bonds (distance) C4'-P energy: -115.163
bonds (distance) P-C4' energy: -128.689
flat angles C4'-P-C4' energy: -139.659
flat angles P-C4'-P energy: -94.378
tors. eta vs tors. theta energy: -180.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2069.416407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.416407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.416407 (E_RNA)
where:
Base-Base interactions energy: -1423.362
where: short stacking energy: -575.944
Base-Backbone interact. energy: -3.829
local terms energy: -642.225534
where:
bonds (distance) C4'-P energy: -120.373
bonds (distance) P-C4' energy: -128.952
flat angles C4'-P-C4' energy: -141.176
flat angles P-C4'-P energy: -87.172
tors. eta vs tors. theta energy: -164.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1895.260094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.260094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.260094 (E_RNA)
where:
Base-Base interactions energy: -1306.817
where: short stacking energy: -547.282
Base-Backbone interact. energy: 0.242
local terms energy: -588.685382
where:
bonds (distance) C4'-P energy: -90.647
bonds (distance) P-C4' energy: -124.220
flat angles C4'-P-C4' energy: -125.029
flat angles P-C4'-P energy: -86.082
tors. eta vs tors. theta energy: -162.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1823.116865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.116865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.116865 (E_RNA)
where:
Base-Base interactions energy: -1249.375
where: short stacking energy: -495.866
Base-Backbone interact. energy: 2.742
local terms energy: -576.484212
where:
bonds (distance) C4'-P energy: -119.833
bonds (distance) P-C4' energy: -107.051
flat angles C4'-P-C4' energy: -123.807
flat angles P-C4'-P energy: -75.306
tors. eta vs tors. theta energy: -150.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1743.989358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.989358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.989358 (E_RNA)
where:
Base-Base interactions energy: -1231.406
where: short stacking energy: -480.962
Base-Backbone interact. energy: 3.934
local terms energy: -516.516779
where:
bonds (distance) C4'-P energy: -94.332
bonds (distance) P-C4' energy: -93.405
flat angles C4'-P-C4' energy: -123.675
flat angles P-C4'-P energy: -68.406
tors. eta vs tors. theta energy: -136.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1541.516160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.516160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.516160 (E_RNA)
where:
Base-Base interactions energy: -1036.114
where: short stacking energy: -427.398
Base-Backbone interact. energy: -0.025
local terms energy: -505.377192
where:
bonds (distance) C4'-P energy: -83.769
bonds (distance) P-C4' energy: -106.081
flat angles C4'-P-C4' energy: -119.098
flat angles P-C4'-P energy: -65.980
tors. eta vs tors. theta energy: -130.449
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: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -793.232244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.232244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.232244 (E_RNA)
where:
Base-Base interactions energy: -395.051
where: short stacking energy: -211.350
Base-Backbone interact. energy: -2.205
local terms energy: -395.976311
where:
bonds (distance) C4'-P energy: -96.920
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -99.202
flat angles P-C4'-P energy: -68.644
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -674.035493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.035493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.035493 (E_RNA)
where:
Base-Base interactions energy: -300.078
where: short stacking energy: -192.644
Base-Backbone interact. energy: -2.199
local terms energy: -371.759143
where:
bonds (distance) C4'-P energy: -100.138
bonds (distance) P-C4' energy: -129.698
flat angles C4'-P-C4' energy: -97.092
flat angles P-C4'-P energy: -38.858
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -438.720696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.720696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.720696 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -104.037
Base-Backbone interact. energy: -2.283
local terms energy: -296.401470
where:
bonds (distance) C4'-P energy: -94.650
bonds (distance) P-C4' energy: -112.002
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -64.710
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: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2279.220968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.220968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.220968 (E_RNA)
where:
Base-Base interactions energy: -1594.799
where: short stacking energy: -615.640
Base-Backbone interact. energy: -2.292
local terms energy: -682.130703
where:
bonds (distance) C4'-P energy: -129.839
bonds (distance) P-C4' energy: -129.061
flat angles C4'-P-C4' energy: -138.926
flat angles P-C4'-P energy: -99.754
tors. eta vs tors. theta energy: -184.551
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2247.855084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.855084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.855084 (E_RNA)
where:
Base-Base interactions energy: -1567.867
where: short stacking energy: -601.348
Base-Backbone interact. energy: -2.277
local terms energy: -677.710891
where:
bonds (distance) C4'-P energy: -119.024
bonds (distance) P-C4' energy: -127.197
flat angles C4'-P-C4' energy: -145.240
flat angles P-C4'-P energy: -100.521
tors. eta vs tors. theta energy: -185.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2073.728880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.728880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.728880 (E_RNA)
where:
Base-Base interactions energy: -1428.753
where: short stacking energy: -574.289
Base-Backbone interact. energy: -1.926
local terms energy: -643.050079
where:
bonds (distance) C4'-P energy: -111.721
bonds (distance) P-C4' energy: -124.684
flat angles C4'-P-C4' energy: -136.184
flat angles P-C4'-P energy: -96.447
tors. eta vs tors. theta energy: -174.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1889.519221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.519221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.519221 (E_RNA)
where:
Base-Base interactions energy: -1304.269
where: short stacking energy: -532.177
Base-Backbone interact. energy: -0.442
local terms energy: -584.808260
where:
bonds (distance) C4'-P energy: -113.101
bonds (distance) P-C4' energy: -107.472
flat angles C4'-P-C4' energy: -131.235
flat angles P-C4'-P energy: -88.939
tors. eta vs tors. theta energy: -144.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1811.450532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.450532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.450532 (E_RNA)
where:
Base-Base interactions energy: -1218.957
where: short stacking energy: -477.162
Base-Backbone interact. energy: -2.539
local terms energy: -589.954129
where:
bonds (distance) C4'-P energy: -109.187
bonds (distance) P-C4' energy: -120.185
flat angles C4'-P-C4' energy: -128.947
flat angles P-C4'-P energy: -93.966
tors. eta vs tors. theta energy: -137.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1679.931789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.931789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.931789 (E_RNA)
where:
Base-Base interactions energy: -1124.283
where: short stacking energy: -438.355
Base-Backbone interact. energy: 0.329
local terms energy: -555.977741
where:
bonds (distance) C4'-P energy: -116.326
bonds (distance) P-C4' energy: -112.114
flat angles C4'-P-C4' energy: -129.412
flat angles P-C4'-P energy: -70.002
tors. eta vs tors. theta energy: -128.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1603.106717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.106717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.106717 (E_RNA)
where:
Base-Base interactions energy: -1051.392
where: short stacking energy: -448.360
Base-Backbone interact. energy: -1.624
local terms energy: -550.090346
where:
bonds (distance) C4'-P energy: -99.799
bonds (distance) P-C4' energy: -115.722
flat angles C4'-P-C4' energy: -133.140
flat angles P-C4'-P energy: -74.874
tors. eta vs tors. theta energy: -126.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -814.438724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.438724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.438724 (E_RNA)
where:
Base-Base interactions energy: -428.236
where: short stacking energy: -230.166
Base-Backbone interact. energy: 1.216
local terms energy: -387.418377
where:
bonds (distance) C4'-P energy: -107.801
bonds (distance) P-C4' energy: -105.618
flat angles C4'-P-C4' energy: -85.862
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -20.880
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: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -691.751138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.751138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.751138 (E_RNA)
where:
Base-Base interactions energy: -370.646
where: short stacking energy: -181.099
Base-Backbone interact. energy: -0.921
local terms energy: -320.184293
where:
bonds (distance) C4'-P energy: -98.773
bonds (distance) P-C4' energy: -109.569
flat angles C4'-P-C4' energy: -82.770
flat angles P-C4'-P energy: -33.865
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: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -460.901917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.901917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.901917 (E_RNA)
where:
Base-Base interactions energy: -147.240
where: short stacking energy: -102.686
Base-Backbone interact. energy: 0.106
local terms energy: -313.768170
where:
bonds (distance) C4'-P energy: -95.858
bonds (distance) P-C4' energy: -112.953
flat angles C4'-P-C4' energy: -80.964
flat angles P-C4'-P energy: -51.742
tors. eta vs tors. theta energy: 27.749
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: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2293.288992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.288992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.288992 (E_RNA)
where:
Base-Base interactions energy: -1609.607
where: short stacking energy: -631.758
Base-Backbone interact. energy: -4.530
local terms energy: -679.151986
where:
bonds (distance) C4'-P energy: -118.395
bonds (distance) P-C4' energy: -129.212
flat angles C4'-P-C4' energy: -143.879
flat angles P-C4'-P energy: -99.141
tors. eta vs tors. theta energy: -188.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2235.333578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.333578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.333578 (E_RNA)
where:
Base-Base interactions energy: -1596.832
where: short stacking energy: -617.132
Base-Backbone interact. energy: -1.624
local terms energy: -636.877232
where:
bonds (distance) C4'-P energy: -88.232
bonds (distance) P-C4' energy: -133.404
flat angles C4'-P-C4' energy: -146.983
flat angles P-C4'-P energy: -85.732
tors. eta vs tors. theta energy: -182.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2070.840709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.840709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.840709 (E_RNA)
where:
Base-Base interactions energy: -1432.086
where: short stacking energy: -576.054
Base-Backbone interact. energy: -2.512
local terms energy: -636.243007
where:
bonds (distance) C4'-P energy: -103.775
bonds (distance) P-C4' energy: -120.038
flat angles C4'-P-C4' energy: -137.646
flat angles P-C4'-P energy: -96.972
tors. eta vs tors. theta energy: -177.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1917.122806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.122806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.122806 (E_RNA)
where:
Base-Base interactions energy: -1341.740
where: short stacking energy: -563.038
Base-Backbone interact. energy: 1.331
local terms energy: -576.713526
where:
bonds (distance) C4'-P energy: -103.753
bonds (distance) P-C4' energy: -107.203
flat angles C4'-P-C4' energy: -125.609
flat angles P-C4'-P energy: -85.867
tors. eta vs tors. theta energy: -154.280
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: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1832.754122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.754122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.754122 (E_RNA)
where:
Base-Base interactions energy: -1235.859
where: short stacking energy: -490.505
Base-Backbone interact. energy: -0.416
local terms energy: -596.478725
where:
bonds (distance) C4'-P energy: -117.391
bonds (distance) P-C4' energy: -110.911
flat angles C4'-P-C4' energy: -137.181
flat angles P-C4'-P energy: -82.737
tors. eta vs tors. theta energy: -148.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1703.212748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.212748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.212748 (E_RNA)
where:
Base-Base interactions energy: -1144.881
where: short stacking energy: -457.045
Base-Backbone interact. energy: -1.254
local terms energy: -557.077644
where:
bonds (distance) C4'-P energy: -115.426
bonds (distance) P-C4' energy: -97.827
flat angles C4'-P-C4' energy: -131.176
flat angles P-C4'-P energy: -80.300
tors. eta vs tors. theta energy: -132.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1657.305299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.305299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.305299 (E_RNA)
where:
Base-Base interactions energy: -1117.239
where: short stacking energy: -439.289
Base-Backbone interact. energy: 2.625
local terms energy: -542.691796
where:
bonds (distance) C4'-P energy: -110.289
bonds (distance) P-C4' energy: -114.345
flat angles C4'-P-C4' energy: -108.156
flat angles P-C4'-P energy: -83.631
tors. eta vs tors. theta energy: -126.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -759.871026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.871026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.871026 (E_RNA)
where:
Base-Base interactions energy: -401.812
where: short stacking energy: -185.535
Base-Backbone interact. energy: 0.418
local terms energy: -358.476302
where:
bonds (distance) C4'-P energy: -109.444
bonds (distance) P-C4' energy: -107.937
flat angles C4'-P-C4' energy: -83.931
flat angles P-C4'-P energy: -54.750
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -676.057013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.057013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.057013 (E_RNA)
where:
Base-Base interactions energy: -319.523
where: short stacking energy: -164.092
Base-Backbone interact. energy: 2.484
local terms energy: -359.017360
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -105.211
flat angles C4'-P-C4' energy: -89.798
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -458.400782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.400782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.400782 (E_RNA)
where:
Base-Base interactions energy: -138.448
where: short stacking energy: -116.291
Base-Backbone interact. energy: 0.138
local terms energy: -320.091225
where:
bonds (distance) C4'-P energy: -102.359
bonds (distance) P-C4' energy: -130.161
flat angles C4'-P-C4' energy: -83.732
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: 33.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2269.743031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.743031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.743031 (E_RNA)
where:
Base-Base interactions energy: -1604.522
where: short stacking energy: -634.017
Base-Backbone interact. energy: 1.365
local terms energy: -666.585969
where:
bonds (distance) C4'-P energy: -118.273
bonds (distance) P-C4' energy: -112.859
flat angles C4'-P-C4' energy: -144.175
flat angles P-C4'-P energy: -97.052
tors. eta vs tors. theta energy: -194.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2242.314280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.314280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.314280 (E_RNA)
where:
Base-Base interactions energy: -1591.252
where: short stacking energy: -625.935
Base-Backbone interact. energy: -1.107
local terms energy: -649.956035
where:
bonds (distance) C4'-P energy: -118.460
bonds (distance) P-C4' energy: -129.145
flat angles C4'-P-C4' energy: -133.000
flat angles P-C4'-P energy: -90.844
tors. eta vs tors. theta energy: -178.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2064.282861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.282861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.282861 (E_RNA)
where:
Base-Base interactions energy: -1435.688
where: short stacking energy: -568.527
Base-Backbone interact. energy: 1.409
local terms energy: -630.003780
where:
bonds (distance) C4'-P energy: -108.472
bonds (distance) P-C4' energy: -117.553
flat angles C4'-P-C4' energy: -131.019
flat angles P-C4'-P energy: -94.093
tors. eta vs tors. theta energy: -178.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1926.849833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.849833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.849833 (E_RNA)
where:
Base-Base interactions energy: -1320.419
where: short stacking energy: -550.778
Base-Backbone interact. energy: 1.447
local terms energy: -607.878233
where:
bonds (distance) C4'-P energy: -124.864
bonds (distance) P-C4' energy: -106.389
flat angles C4'-P-C4' energy: -137.187
flat angles P-C4'-P energy: -80.654
tors. eta vs tors. theta energy: -158.784
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: 239
Temperature: 1.100000
Total energy: -1795.699360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.699360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.699360 (E_RNA)
where:
Base-Base interactions energy: -1215.872
where: short stacking energy: -478.208
Base-Backbone interact. energy: -6.683
local terms energy: -573.144408
where:
bonds (distance) C4'-P energy: -104.176
bonds (distance) P-C4' energy: -115.401
flat angles C4'-P-C4' energy: -134.017
flat angles P-C4'-P energy: -85.168
tors. eta vs tors. theta energy: -134.382
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: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1704.304966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.304966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.304966 (E_RNA)
where:
Base-Base interactions energy: -1171.137
where: short stacking energy: -472.604
Base-Backbone interact. energy: 4.889
local terms energy: -538.056835
where:
bonds (distance) C4'-P energy: -111.606
bonds (distance) P-C4' energy: -100.232
flat angles C4'-P-C4' energy: -107.645
flat angles P-C4'-P energy: -88.505
tors. eta vs tors. theta energy: -130.069
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: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1644.274409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.274409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.274409 (E_RNA)
where:
Base-Base interactions energy: -1116.547
where: short stacking energy: -453.950
Base-Backbone interact. energy: -0.534
local terms energy: -527.193323
where:
bonds (distance) C4'-P energy: -105.856
bonds (distance) P-C4' energy: -89.937
flat angles C4'-P-C4' energy: -117.159
flat angles P-C4'-P energy: -82.158
tors. eta vs tors. theta energy: -132.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -764.285985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.285985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.285985 (E_RNA)
where:
Base-Base interactions energy: -374.653
where: short stacking energy: -197.917
Base-Backbone interact. energy: -4.698
local terms energy: -384.935550
where:
bonds (distance) C4'-P energy: -111.762
bonds (distance) P-C4' energy: -108.982
flat angles C4'-P-C4' energy: -74.836
flat angles P-C4'-P energy: -68.986
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -653.768025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.768025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.768025 (E_RNA)
where:
Base-Base interactions energy: -304.435
where: short stacking energy: -184.057
Base-Backbone interact. energy: 0.281
local terms energy: -349.614875
where:
bonds (distance) C4'-P energy: -113.373
bonds (distance) P-C4' energy: -103.513
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -63.852
tors. eta vs tors. theta energy: 15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -439.451384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.451384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.451384 (E_RNA)
where:
Base-Base interactions energy: -133.220
where: short stacking energy: -105.668
Base-Backbone interact. energy: -0.883
local terms energy: -305.348175
where:
bonds (distance) C4'-P energy: -101.617
bonds (distance) P-C4' energy: -95.371
flat angles C4'-P-C4' energy: -77.608
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: 19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2279.973606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.973606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.973606 (E_RNA)
where:
Base-Base interactions energy: -1585.159
where: short stacking energy: -622.815
Base-Backbone interact. energy: -3.257
local terms energy: -691.557670
where:
bonds (distance) C4'-P energy: -120.543
bonds (distance) P-C4' energy: -133.527
flat angles C4'-P-C4' energy: -143.655
flat angles P-C4'-P energy: -107.803
tors. eta vs tors. theta energy: -186.029
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: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2253.848548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.848548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.848548 (E_RNA)
where:
Base-Base interactions energy: -1595.832
where: short stacking energy: -628.927
Base-Backbone interact. energy: 2.932
local terms energy: -660.947677
where:
bonds (distance) C4'-P energy: -114.172
bonds (distance) P-C4' energy: -124.290
flat angles C4'-P-C4' energy: -142.995
flat angles P-C4'-P energy: -94.962
tors. eta vs tors. theta energy: -184.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2082.723263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.723263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.723263 (E_RNA)
where:
Base-Base interactions energy: -1425.269
where: short stacking energy: -594.858
Base-Backbone interact. energy: -1.946
local terms energy: -655.508073
where:
bonds (distance) C4'-P energy: -119.265
bonds (distance) P-C4' energy: -133.256
flat angles C4'-P-C4' energy: -137.050
flat angles P-C4'-P energy: -81.562
tors. eta vs tors. theta energy: -184.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1941.426043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.426043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.426043 (E_RNA)
where:
Base-Base interactions energy: -1342.272
where: short stacking energy: -564.586
Base-Backbone interact. energy: 0.365
local terms energy: -599.518935
where:
bonds (distance) C4'-P energy: -121.976
bonds (distance) P-C4' energy: -118.381
flat angles C4'-P-C4' energy: -125.571
flat angles P-C4'-P energy: -77.348
tors. eta vs tors. theta energy: -156.242
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: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1842.357295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.357295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.357295 (E_RNA)
where:
Base-Base interactions energy: -1256.255
where: short stacking energy: -471.913
Base-Backbone interact. energy: -6.325
local terms energy: -579.777452
where:
bonds (distance) C4'-P energy: -109.502
bonds (distance) P-C4' energy: -126.858
flat angles C4'-P-C4' energy: -127.267
flat angles P-C4'-P energy: -87.603
tors. eta vs tors. theta energy: -128.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1649.912072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.912072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.912072 (E_RNA)
where:
Base-Base interactions energy: -1113.281
where: short stacking energy: -467.537
Base-Backbone interact. energy: -2.140
local terms energy: -534.491140
where:
bonds (distance) C4'-P energy: -100.668
bonds (distance) P-C4' energy: -113.633
flat angles C4'-P-C4' energy: -113.832
flat angles P-C4'-P energy: -81.299
tors. eta vs tors. theta energy: -125.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1624.458482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.458482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.458482 (E_RNA)
where:
Base-Base interactions energy: -1091.745
where: short stacking energy: -438.791
Base-Backbone interact. energy: -0.829
local terms energy: -531.884010
where:
bonds (distance) C4'-P energy: -106.077
bonds (distance) P-C4' energy: -105.744
flat angles C4'-P-C4' energy: -113.860
flat angles P-C4'-P energy: -83.250
tors. eta vs tors. theta energy: -122.952
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: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -779.002733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.002733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.002733 (E_RNA)
where:
Base-Base interactions energy: -390.709
where: short stacking energy: -195.066
Base-Backbone interact. energy: -3.571
local terms energy: -384.722564
where:
bonds (distance) C4'-P energy: -96.040
bonds (distance) P-C4' energy: -108.808
flat angles C4'-P-C4' energy: -99.044
flat angles P-C4'-P energy: -59.617
tors. eta vs tors. theta energy: -21.213
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -647.587059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.587059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.587059 (E_RNA)
where:
Base-Base interactions energy: -284.244
where: short stacking energy: -162.903
Base-Backbone interact. energy: 1.543
local terms energy: -364.886767
where:
bonds (distance) C4'-P energy: -106.272
bonds (distance) P-C4' energy: -115.763
flat angles C4'-P-C4' energy: -76.617
flat angles P-C4'-P energy: -57.982
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -461.198249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.198249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.198249 (E_RNA)
where:
Base-Base interactions energy: -141.391
where: short stacking energy: -115.000
Base-Backbone interact. energy: -0.181
local terms energy: -319.626574
where:
bonds (distance) C4'-P energy: -103.456
bonds (distance) P-C4' energy: -123.788
flat angles C4'-P-C4' energy: -75.072
flat angles P-C4'-P energy: -38.435
tors. eta vs tors. theta energy: 21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2281.695364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.695364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.695364 (E_RNA)
where:
Base-Base interactions energy: -1597.175
where: short stacking energy: -612.979
Base-Backbone interact. energy: 0.789
local terms energy: -685.309784
where:
bonds (distance) C4'-P energy: -127.162
bonds (distance) P-C4' energy: -136.940
flat angles C4'-P-C4' energy: -143.699
flat angles P-C4'-P energy: -95.932
tors. eta vs tors. theta energy: -181.577
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: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2260.388206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.388206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.388206 (E_RNA)
where:
Base-Base interactions energy: -1620.640
where: short stacking energy: -644.393
Base-Backbone interact. energy: -0.123
local terms energy: -639.625226
where:
bonds (distance) C4'-P energy: -110.592
bonds (distance) P-C4' energy: -112.167
flat angles C4'-P-C4' energy: -143.270
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -183.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2094.545671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.545671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.545671 (E_RNA)
where:
Base-Base interactions energy: -1430.248
where: short stacking energy: -572.121
Base-Backbone interact. energy: -0.607
local terms energy: -663.690501
where:
bonds (distance) C4'-P energy: -121.532
bonds (distance) P-C4' energy: -126.803
flat angles C4'-P-C4' energy: -140.096
flat angles P-C4'-P energy: -90.212
tors. eta vs tors. theta energy: -185.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1966.840818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.840818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.840818 (E_RNA)
where:
Base-Base interactions energy: -1366.869
where: short stacking energy: -580.323
Base-Backbone interact. energy: 1.579
local terms energy: -601.551015
where:
bonds (distance) C4'-P energy: -105.894
bonds (distance) P-C4' energy: -104.869
flat angles C4'-P-C4' energy: -133.770
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -173.849
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: 241
Temperature: 1.100000
Total energy: -1844.080272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.080272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.080272 (E_RNA)
where:
Base-Base interactions energy: -1294.017
where: short stacking energy: -509.461
Base-Backbone interact. energy: -5.946
local terms energy: -544.117756
where:
bonds (distance) C4'-P energy: -76.854
bonds (distance) P-C4' energy: -104.565
flat angles C4'-P-C4' energy: -122.297
flat angles P-C4'-P energy: -93.737
tors. eta vs tors. theta energy: -146.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1685.064443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.064443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.064443 (E_RNA)
where:
Base-Base interactions energy: -1139.151
where: short stacking energy: -471.927
Base-Backbone interact. energy: 1.628
local terms energy: -547.541555
where:
bonds (distance) C4'-P energy: -111.531
bonds (distance) P-C4' energy: -97.242
flat angles C4'-P-C4' energy: -119.133
flat angles P-C4'-P energy: -87.831
tors. eta vs tors. theta energy: -131.805
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: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1644.474988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.474988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.474988 (E_RNA)
where:
Base-Base interactions energy: -1111.499
where: short stacking energy: -457.455
Base-Backbone interact. energy: 2.245
local terms energy: -535.220560
where:
bonds (distance) C4'-P energy: -108.346
bonds (distance) P-C4' energy: -103.701
flat angles C4'-P-C4' energy: -123.518
flat angles P-C4'-P energy: -71.519
tors. eta vs tors. theta energy: -128.136
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: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -798.006394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.006394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.006394 (E_RNA)
where:
Base-Base interactions energy: -378.530
where: short stacking energy: -221.910
Base-Backbone interact. energy: -0.495
local terms energy: -418.981309
where:
bonds (distance) C4'-P energy: -109.957
bonds (distance) P-C4' energy: -114.974
flat angles C4'-P-C4' energy: -105.441
flat angles P-C4'-P energy: -65.747
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -663.455560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.455560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.455560 (E_RNA)
where:
Base-Base interactions energy: -303.837
where: short stacking energy: -161.101
Base-Backbone interact. energy: 3.611
local terms energy: -363.229352
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -105.709
flat angles C4'-P-C4' energy: -113.468
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: 6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -453.189699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.189699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.189699 (E_RNA)
where:
Base-Base interactions energy: -124.138
where: short stacking energy: -111.344
Base-Backbone interact. energy: 3.098
local terms energy: -332.149202
where:
bonds (distance) C4'-P energy: -109.178
bonds (distance) P-C4' energy: -103.216
flat angles C4'-P-C4' energy: -88.860
flat angles P-C4'-P energy: -49.201
tors. eta vs tors. theta energy: 18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2306.168750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.168750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.168750 (E_RNA)
where:
Base-Base interactions energy: -1614.488
where: short stacking energy: -647.012
Base-Backbone interact. energy: -1.163
local terms energy: -690.517684
where:
bonds (distance) C4'-P energy: -130.633
bonds (distance) P-C4' energy: -127.251
flat angles C4'-P-C4' energy: -140.845
flat angles P-C4'-P energy: -93.724
tors. eta vs tors. theta energy: -198.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2270.554994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.554994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.554994 (E_RNA)
where:
Base-Base interactions energy: -1600.368
where: short stacking energy: -619.283
Base-Backbone interact. energy: -0.053
local terms energy: -670.133141
where:
bonds (distance) C4'-P energy: -114.677
bonds (distance) P-C4' energy: -131.633
flat angles C4'-P-C4' energy: -149.019
flat angles P-C4'-P energy: -91.297
tors. eta vs tors. theta energy: -183.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2074.159370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.159370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.159370 (E_RNA)
where:
Base-Base interactions energy: -1401.240
where: short stacking energy: -561.615
Base-Backbone interact. energy: 0.854
local terms energy: -673.773870
where:
bonds (distance) C4'-P energy: -118.790
bonds (distance) P-C4' energy: -130.197
flat angles C4'-P-C4' energy: -149.811
flat angles P-C4'-P energy: -98.530
tors. eta vs tors. theta energy: -176.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1940.775054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.775054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.775054 (E_RNA)
where:
Base-Base interactions energy: -1310.264
where: short stacking energy: -551.985
Base-Backbone interact. energy: 0.075
local terms energy: -630.586169
where:
bonds (distance) C4'-P energy: -127.269
bonds (distance) P-C4' energy: -115.565
flat angles C4'-P-C4' energy: -130.641
flat angles P-C4'-P energy: -82.503
tors. eta vs tors. theta energy: -174.608
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: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1820.437216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.437216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.437216 (E_RNA)
where:
Base-Base interactions energy: -1266.145
where: short stacking energy: -492.566
Base-Backbone interact. energy: -4.357
local terms energy: -549.934465
where:
bonds (distance) C4'-P energy: -98.290
bonds (distance) P-C4' energy: -111.943
flat angles C4'-P-C4' energy: -123.346
flat angles P-C4'-P energy: -78.928
tors. eta vs tors. theta energy: -137.426
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: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1639.235456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.235456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.235456 (E_RNA)
where:
Base-Base interactions energy: -1116.240
where: short stacking energy: -441.074
Base-Backbone interact. energy: -0.877
local terms energy: -522.117772
where:
bonds (distance) C4'-P energy: -109.691
bonds (distance) P-C4' energy: -126.725
flat angles C4'-P-C4' energy: -111.125
flat angles P-C4'-P energy: -54.823
tors. eta vs tors. theta energy: -119.753
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: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1624.358704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.358704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.358704 (E_RNA)
where:
Base-Base interactions energy: -1107.240
where: short stacking energy: -459.292
Base-Backbone interact. energy: 1.165
local terms energy: -518.283439
where:
bonds (distance) C4'-P energy: -113.738
bonds (distance) P-C4' energy: -99.750
flat angles C4'-P-C4' energy: -114.458
flat angles P-C4'-P energy: -67.746
tors. eta vs tors. theta energy: -122.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -739.574336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.574336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.574336 (E_RNA)
where:
Base-Base interactions energy: -368.188
where: short stacking energy: -200.442
Base-Backbone interact. energy: -4.900
local terms energy: -366.486405
where:
bonds (distance) C4'-P energy: -105.737
bonds (distance) P-C4' energy: -110.287
flat angles C4'-P-C4' energy: -98.754
flat angles P-C4'-P energy: -53.970
tors. eta vs tors. theta energy: 2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -653.685063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.685063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.685063 (E_RNA)
where:
Base-Base interactions energy: -298.505
where: short stacking energy: -158.427
Base-Backbone interact. energy: 0.039
local terms energy: -355.218631
where:
bonds (distance) C4'-P energy: -95.377
bonds (distance) P-C4' energy: -109.818
flat angles C4'-P-C4' energy: -93.286
flat angles P-C4'-P energy: -52.734
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -442.300989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.300989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.300989 (E_RNA)
where:
Base-Base interactions energy: -154.042
where: short stacking energy: -111.454
Base-Backbone interact. energy: -0.425
local terms energy: -287.834077
where:
bonds (distance) C4'-P energy: -91.788
bonds (distance) P-C4' energy: -86.156
flat angles C4'-P-C4' energy: -92.710
flat angles P-C4'-P energy: -42.128
tors. eta vs tors. theta energy: 24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2281.350859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.350859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.350859 (E_RNA)
where:
Base-Base interactions energy: -1616.236
where: short stacking energy: -618.784
Base-Backbone interact. energy: -2.903
local terms energy: -662.212170
where:
bonds (distance) C4'-P energy: -113.117
bonds (distance) P-C4' energy: -131.408
flat angles C4'-P-C4' energy: -140.968
flat angles P-C4'-P energy: -87.607
tors. eta vs tors. theta energy: -189.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2245.109934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.109934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.109934 (E_RNA)
where:
Base-Base interactions energy: -1572.499
where: short stacking energy: -601.329
Base-Backbone interact. energy: -1.988
local terms energy: -670.622943
where:
bonds (distance) C4'-P energy: -121.391
bonds (distance) P-C4' energy: -134.365
flat angles C4'-P-C4' energy: -134.809
flat angles P-C4'-P energy: -101.875
tors. eta vs tors. theta energy: -178.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2075.320179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.320179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.320179 (E_RNA)
where:
Base-Base interactions energy: -1414.096
where: short stacking energy: -569.765
Base-Backbone interact. energy: -4.170
local terms energy: -657.053556
where:
bonds (distance) C4'-P energy: -122.618
bonds (distance) P-C4' energy: -119.169
flat angles C4'-P-C4' energy: -138.084
flat angles P-C4'-P energy: -90.532
tors. eta vs tors. theta energy: -186.651
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: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1877.796441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.796441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.796441 (E_RNA)
where:
Base-Base interactions energy: -1273.966
where: short stacking energy: -502.456
Base-Backbone interact. energy: -0.883
local terms energy: -602.947949
where:
bonds (distance) C4'-P energy: -134.419
bonds (distance) P-C4' energy: -124.835
flat angles C4'-P-C4' energy: -123.698
flat angles P-C4'-P energy: -81.269
tors. eta vs tors. theta energy: -138.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1888.664721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.664721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.664721 (E_RNA)
where:
Base-Base interactions energy: -1312.274
where: short stacking energy: -552.379
Base-Backbone interact. energy: 3.377
local terms energy: -579.768145
where:
bonds (distance) C4'-P energy: -106.983
bonds (distance) P-C4' energy: -101.890
flat angles C4'-P-C4' energy: -128.210
flat angles P-C4'-P energy: -80.188
tors. eta vs tors. theta energy: -162.498
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: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1692.234744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.234744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.234744 (E_RNA)
where:
Base-Base interactions energy: -1148.343
where: short stacking energy: -470.651
Base-Backbone interact. energy: -0.336
local terms energy: -543.556536
where:
bonds (distance) C4'-P energy: -98.696
bonds (distance) P-C4' energy: -108.035
flat angles C4'-P-C4' energy: -129.128
flat angles P-C4'-P energy: -78.541
tors. eta vs tors. theta energy: -129.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1538.477700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.477700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.477700 (E_RNA)
where:
Base-Base interactions energy: -1060.201
where: short stacking energy: -437.964
Base-Backbone interact. energy: 2.021
local terms energy: -480.297713
where:
bonds (distance) C4'-P energy: -82.642
bonds (distance) P-C4' energy: -103.466
flat angles C4'-P-C4' energy: -114.847
flat angles P-C4'-P energy: -75.065
tors. eta vs tors. theta energy: -104.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -793.082771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.082771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.082771 (E_RNA)
where:
Base-Base interactions energy: -378.414
where: short stacking energy: -206.464
Base-Backbone interact. energy: 2.114
local terms energy: -416.782669
where:
bonds (distance) C4'-P energy: -96.746
bonds (distance) P-C4' energy: -120.874
flat angles C4'-P-C4' energy: -99.973
flat angles P-C4'-P energy: -71.490
tors. eta vs tors. theta energy: -27.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -666.506711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.506711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.506711 (E_RNA)
where:
Base-Base interactions energy: -301.990
where: short stacking energy: -163.507
Base-Backbone interact. energy: 7.032
local terms energy: -371.549267
where:
bonds (distance) C4'-P energy: -107.881
bonds (distance) P-C4' energy: -107.488
flat angles C4'-P-C4' energy: -99.785
flat angles P-C4'-P energy: -57.630
tors. eta vs tors. theta energy: 1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -459.356209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.356209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.356209 (E_RNA)
where:
Base-Base interactions energy: -146.686
where: short stacking energy: -113.246
Base-Backbone interact. energy: 0.778
local terms energy: -313.448459
where:
bonds (distance) C4'-P energy: -89.052
bonds (distance) P-C4' energy: -109.630
flat angles C4'-P-C4' energy: -89.210
flat angles P-C4'-P energy: -56.701
tors. eta vs tors. theta energy: 31.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2279.614880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.614880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.614880 (E_RNA)
where:
Base-Base interactions energy: -1610.411
where: short stacking energy: -644.978
Base-Backbone interact. energy: -4.066
local terms energy: -665.137088
where:
bonds (distance) C4'-P energy: -115.013
bonds (distance) P-C4' energy: -124.865
flat angles C4'-P-C4' energy: -141.936
flat angles P-C4'-P energy: -87.884
tors. eta vs tors. theta energy: -195.439
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: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2263.768057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.768057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.768057 (E_RNA)
where:
Base-Base interactions energy: -1595.542
where: short stacking energy: -633.482
Base-Backbone interact. energy: 0.095
local terms energy: -668.321283
where:
bonds (distance) C4'-P energy: -125.078
bonds (distance) P-C4' energy: -116.481
flat angles C4'-P-C4' energy: -144.871
flat angles P-C4'-P energy: -99.021
tors. eta vs tors. theta energy: -182.871
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2102.870817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.870817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.870817 (E_RNA)
where:
Base-Base interactions energy: -1435.601
where: short stacking energy: -576.836
Base-Backbone interact. energy: -1.422
local terms energy: -665.847757
where:
bonds (distance) C4'-P energy: -128.452
bonds (distance) P-C4' energy: -115.699
flat angles C4'-P-C4' energy: -146.090
flat angles P-C4'-P energy: -95.843
tors. eta vs tors. theta energy: -179.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1903.591757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.591757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.591757 (E_RNA)
where:
Base-Base interactions energy: -1301.626
where: short stacking energy: -547.438
Base-Backbone interact. energy: 1.946
local terms energy: -603.911878
where:
bonds (distance) C4'-P energy: -117.092
bonds (distance) P-C4' energy: -109.679
flat angles C4'-P-C4' energy: -119.114
flat angles P-C4'-P energy: -97.276
tors. eta vs tors. theta energy: -160.750
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: 244
Temperature: 1.100000
Total energy: -1887.664192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.664192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.664192 (E_RNA)
where:
Base-Base interactions energy: -1293.821
where: short stacking energy: -535.911
Base-Backbone interact. energy: 0.977
local terms energy: -594.820948
where:
bonds (distance) C4'-P energy: -100.511
bonds (distance) P-C4' energy: -115.317
flat angles C4'-P-C4' energy: -127.413
flat angles P-C4'-P energy: -87.185
tors. eta vs tors. theta energy: -164.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1663.901491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.901491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.901491 (E_RNA)
where:
Base-Base interactions energy: -1141.284
where: short stacking energy: -497.457
Base-Backbone interact. energy: 2.302
local terms energy: -524.918777
where:
bonds (distance) C4'-P energy: -94.571
bonds (distance) P-C4' energy: -98.588
flat angles C4'-P-C4' energy: -122.299
flat angles P-C4'-P energy: -69.782
tors. eta vs tors. theta energy: -139.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1580.601802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.601802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.601802 (E_RNA)
where:
Base-Base interactions energy: -1049.127
where: short stacking energy: -452.948
Base-Backbone interact. energy: -2.367
local terms energy: -529.107133
where:
bonds (distance) C4'-P energy: -89.176
bonds (distance) P-C4' energy: -115.478
flat angles C4'-P-C4' energy: -117.520
flat angles P-C4'-P energy: -78.917
tors. eta vs tors. theta energy: -128.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -788.312339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.312339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.312339 (E_RNA)
where:
Base-Base interactions energy: -397.705
where: short stacking energy: -213.033
Base-Backbone interact. energy: 6.311
local terms energy: -396.918321
where:
bonds (distance) C4'-P energy: -99.272
bonds (distance) P-C4' energy: -118.809
flat angles C4'-P-C4' energy: -94.321
flat angles P-C4'-P energy: -66.013
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -687.795569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.795569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.795569 (E_RNA)
where:
Base-Base interactions energy: -313.664
where: short stacking energy: -151.775
Base-Backbone interact. energy: 1.120
local terms energy: -375.252004
where:
bonds (distance) C4'-P energy: -94.250
bonds (distance) P-C4' energy: -113.994
flat angles C4'-P-C4' energy: -109.443
flat angles P-C4'-P energy: -49.841
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -501.131198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.131198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.131198 (E_RNA)
where:
Base-Base interactions energy: -169.038
where: short stacking energy: -142.527
Base-Backbone interact. energy: -0.103
local terms energy: -331.990119
where:
bonds (distance) C4'-P energy: -110.156
bonds (distance) P-C4' energy: -86.199
flat angles C4'-P-C4' energy: -85.605
flat angles P-C4'-P energy: -70.429
tors. eta vs tors. theta energy: 20.399
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: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2277.623926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.623926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.623926 (E_RNA)
where:
Base-Base interactions energy: -1601.596
where: short stacking energy: -636.415
Base-Backbone interact. energy: -2.749
local terms energy: -673.279055
where:
bonds (distance) C4'-P energy: -127.057
bonds (distance) P-C4' energy: -124.337
flat angles C4'-P-C4' energy: -130.571
flat angles P-C4'-P energy: -102.445
tors. eta vs tors. theta energy: -188.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2285.525342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.525342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.525342 (E_RNA)
where:
Base-Base interactions energy: -1609.478
where: short stacking energy: -644.956
Base-Backbone interact. energy: 0.202
local terms energy: -676.249454
where:
bonds (distance) C4'-P energy: -130.724
bonds (distance) P-C4' energy: -126.851
flat angles C4'-P-C4' energy: -134.962
flat angles P-C4'-P energy: -91.644
tors. eta vs tors. theta energy: -192.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2118.607653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.607653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.607653 (E_RNA)
where:
Base-Base interactions energy: -1462.678
where: short stacking energy: -574.122
Base-Backbone interact. energy: -3.389
local terms energy: -652.540305
where:
bonds (distance) C4'-P energy: -120.103
bonds (distance) P-C4' energy: -117.662
flat angles C4'-P-C4' energy: -138.959
flat angles P-C4'-P energy: -88.932
tors. eta vs tors. theta energy: -186.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1938.901135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.901135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.901135 (E_RNA)
where:
Base-Base interactions energy: -1339.597
where: short stacking energy: -561.952
Base-Backbone interact. energy: -3.014
local terms energy: -596.290150
where:
bonds (distance) C4'-P energy: -109.546
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -122.070
flat angles P-C4'-P energy: -84.598
tors. eta vs tors. theta energy: -157.617
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: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1848.075054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.075054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.075054 (E_RNA)
where:
Base-Base interactions energy: -1302.771
where: short stacking energy: -484.965
Base-Backbone interact. energy: -1.969
local terms energy: -543.335027
where:
bonds (distance) C4'-P energy: -100.228
bonds (distance) P-C4' energy: -117.114
flat angles C4'-P-C4' energy: -124.457
flat angles P-C4'-P energy: -71.497
tors. eta vs tors. theta energy: -130.039
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1675.133812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.133812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.133812 (E_RNA)
where:
Base-Base interactions energy: -1125.795
where: short stacking energy: -475.861
Base-Backbone interact. energy: -2.391
local terms energy: -546.947451
where:
bonds (distance) C4'-P energy: -92.862
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -125.485
flat angles P-C4'-P energy: -81.316
tors. eta vs tors. theta energy: -133.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1584.832214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.832214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.832214 (E_RNA)
where:
Base-Base interactions energy: -1052.688
where: short stacking energy: -386.692
Base-Backbone interact. energy: 3.270
local terms energy: -535.414885
where:
bonds (distance) C4'-P energy: -122.073
bonds (distance) P-C4' energy: -97.446
flat angles C4'-P-C4' energy: -119.124
flat angles P-C4'-P energy: -83.631
tors. eta vs tors. theta energy: -113.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -777.296222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.296222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.296222 (E_RNA)
where:
Base-Base interactions energy: -409.925
where: short stacking energy: -226.727
Base-Backbone interact. energy: 2.204
local terms energy: -369.575552
where:
bonds (distance) C4'-P energy: -96.300
bonds (distance) P-C4' energy: -106.329
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -52.563
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -736.764401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.764401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.764401 (E_RNA)
where:
Base-Base interactions energy: -334.397
where: short stacking energy: -201.242
Base-Backbone interact. energy: -0.794
local terms energy: -401.573011
where:
bonds (distance) C4'-P energy: -110.706
bonds (distance) P-C4' energy: -105.564
flat angles C4'-P-C4' energy: -101.394
flat angles P-C4'-P energy: -60.775
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -464.638286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.638286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.638286 (E_RNA)
where:
Base-Base interactions energy: -131.188
where: short stacking energy: -120.462
Base-Backbone interact. energy: 2.000
local terms energy: -335.450440
where:
bonds (distance) C4'-P energy: -102.308
bonds (distance) P-C4' energy: -112.825
flat angles C4'-P-C4' energy: -106.170
flat angles P-C4'-P energy: -57.860
tors. eta vs tors. theta energy: 43.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2308.764360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.764360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.764360 (E_RNA)
where:
Base-Base interactions energy: -1616.038
where: short stacking energy: -630.935
Base-Backbone interact. energy: 1.651
local terms energy: -694.377100
where:
bonds (distance) C4'-P energy: -130.011
bonds (distance) P-C4' energy: -127.868
flat angles C4'-P-C4' energy: -147.224
flat angles P-C4'-P energy: -96.342
tors. eta vs tors. theta energy: -192.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2226.692009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.692009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.692009 (E_RNA)
where:
Base-Base interactions energy: -1563.588
where: short stacking energy: -613.565
Base-Backbone interact. energy: -5.096
local terms energy: -658.007595
where:
bonds (distance) C4'-P energy: -113.393
bonds (distance) P-C4' energy: -126.047
flat angles C4'-P-C4' energy: -141.982
flat angles P-C4'-P energy: -94.696
tors. eta vs tors. theta energy: -181.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2094.131435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.131435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.131435 (E_RNA)
where:
Base-Base interactions energy: -1450.633
where: short stacking energy: -586.552
Base-Backbone interact. energy: -4.608
local terms energy: -638.890233
where:
bonds (distance) C4'-P energy: -117.008
bonds (distance) P-C4' energy: -114.400
flat angles C4'-P-C4' energy: -140.946
flat angles P-C4'-P energy: -86.659
tors. eta vs tors. theta energy: -179.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1944.572182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.572182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.572182 (E_RNA)
where:
Base-Base interactions energy: -1340.391
where: short stacking energy: -552.980
Base-Backbone interact. energy: 3.022
local terms energy: -607.203212
where:
bonds (distance) C4'-P energy: -117.885
bonds (distance) P-C4' energy: -107.253
flat angles C4'-P-C4' energy: -122.546
flat angles P-C4'-P energy: -81.985
tors. eta vs tors. theta energy: -177.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1889.475963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.475963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.475963 (E_RNA)
where:
Base-Base interactions energy: -1294.615
where: short stacking energy: -499.967
Base-Backbone interact. energy: -2.018
local terms energy: -592.842380
where:
bonds (distance) C4'-P energy: -110.697
bonds (distance) P-C4' energy: -127.404
flat angles C4'-P-C4' energy: -119.511
flat angles P-C4'-P energy: -96.238
tors. eta vs tors. theta energy: -138.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1686.336382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.336382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.336382 (E_RNA)
where:
Base-Base interactions energy: -1119.278
where: short stacking energy: -480.424
Base-Backbone interact. energy: -0.444
local terms energy: -566.614496
where:
bonds (distance) C4'-P energy: -103.228
bonds (distance) P-C4' energy: -121.042
flat angles C4'-P-C4' energy: -124.202
flat angles P-C4'-P energy: -78.132
tors. eta vs tors. theta energy: -140.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1605.394745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.394745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.394745 (E_RNA)
where:
Base-Base interactions energy: -1139.226
where: short stacking energy: -463.960
Base-Backbone interact. energy: -3.545
local terms energy: -462.623464
where:
bonds (distance) C4'-P energy: -80.011
bonds (distance) P-C4' energy: -107.644
flat angles C4'-P-C4' energy: -103.065
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -119.111
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: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -881.573520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.573520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.573520 (E_RNA)
where:
Base-Base interactions energy: -467.706
where: short stacking energy: -228.721
Base-Backbone interact. energy: -0.537
local terms energy: -413.330615
where:
bonds (distance) C4'-P energy: -105.564
bonds (distance) P-C4' energy: -119.491
flat angles C4'-P-C4' energy: -99.492
flat angles P-C4'-P energy: -55.745
tors. eta vs tors. theta energy: -33.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -717.969184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.969184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.969184 (E_RNA)
where:
Base-Base interactions energy: -361.137
where: short stacking energy: -195.508
Base-Backbone interact. energy: 1.961
local terms energy: -358.793497
where:
bonds (distance) C4'-P energy: -113.614
bonds (distance) P-C4' energy: -100.711
flat angles C4'-P-C4' energy: -75.474
flat angles P-C4'-P energy: -62.702
tors. eta vs tors. theta energy: -6.292
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: 246
Temperature: 1.350000
Total energy: -497.007083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.007083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.007083 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -112.893
Base-Backbone interact. energy: -1.026
local terms energy: -377.594228
where:
bonds (distance) C4'-P energy: -101.134
bonds (distance) P-C4' energy: -110.969
flat angles C4'-P-C4' energy: -97.925
flat angles P-C4'-P energy: -79.928
tors. eta vs tors. theta energy: 12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2306.661075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.661075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.661075 (E_RNA)
where:
Base-Base interactions energy: -1629.062
where: short stacking energy: -638.453
Base-Backbone interact. energy: 0.861
local terms energy: -678.460694
where:
bonds (distance) C4'-P energy: -114.766
bonds (distance) P-C4' energy: -134.969
flat angles C4'-P-C4' energy: -145.063
flat angles P-C4'-P energy: -97.479
tors. eta vs tors. theta energy: -186.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2231.929783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.929783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.929783 (E_RNA)
where:
Base-Base interactions energy: -1555.870
where: short stacking energy: -601.034
Base-Backbone interact. energy: -2.864
local terms energy: -673.195558
where:
bonds (distance) C4'-P energy: -122.221
bonds (distance) P-C4' energy: -122.338
flat angles C4'-P-C4' energy: -150.027
flat angles P-C4'-P energy: -91.818
tors. eta vs tors. theta energy: -186.791
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: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2085.807992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.807992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.807992 (E_RNA)
where:
Base-Base interactions energy: -1451.989
where: short stacking energy: -588.348
Base-Backbone interact. energy: -3.449
local terms energy: -630.370330
where:
bonds (distance) C4'-P energy: -106.979
bonds (distance) P-C4' energy: -124.527
flat angles C4'-P-C4' energy: -136.508
flat angles P-C4'-P energy: -84.155
tors. eta vs tors. theta energy: -178.202
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: 247
Temperature: 1.050000
Total energy: -1955.363043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.363043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.363043 (E_RNA)
where:
Base-Base interactions energy: -1348.556
where: short stacking energy: -537.539
Base-Backbone interact. energy: -3.131
local terms energy: -603.676365
where:
bonds (distance) C4'-P energy: -127.614
bonds (distance) P-C4' energy: -101.753
flat angles C4'-P-C4' energy: -131.385
flat angles P-C4'-P energy: -85.698
tors. eta vs tors. theta energy: -157.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1867.601516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.601516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.601516 (E_RNA)
where:
Base-Base interactions energy: -1291.118
where: short stacking energy: -501.782
Base-Backbone interact. energy: 0.540
local terms energy: -577.023819
where:
bonds (distance) C4'-P energy: -109.325
bonds (distance) P-C4' energy: -100.061
flat angles C4'-P-C4' energy: -123.202
flat angles P-C4'-P energy: -84.135
tors. eta vs tors. theta energy: -160.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1745.252600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.252600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.252600 (E_RNA)
where:
Base-Base interactions energy: -1198.936
where: short stacking energy: -473.879
Base-Backbone interact. energy: -0.147
local terms energy: -546.170045
where:
bonds (distance) C4'-P energy: -121.061
bonds (distance) P-C4' energy: -83.399
flat angles C4'-P-C4' energy: -125.232
flat angles P-C4'-P energy: -79.412
tors. eta vs tors. theta energy: -137.066
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: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1572.295107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.295107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.295107 (E_RNA)
where:
Base-Base interactions energy: -1061.123
where: short stacking energy: -420.171
Base-Backbone interact. energy: -3.738
local terms energy: -507.434340
where:
bonds (distance) C4'-P energy: -101.128
bonds (distance) P-C4' energy: -112.095
flat angles C4'-P-C4' energy: -112.072
flat angles P-C4'-P energy: -72.093
tors. eta vs tors. theta energy: -110.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -956.211876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.211876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.211876 (E_RNA)
where:
Base-Base interactions energy: -548.150
where: short stacking energy: -263.756
Base-Backbone interact. energy: 2.106
local terms energy: -410.168249
where:
bonds (distance) C4'-P energy: -89.659
bonds (distance) P-C4' energy: -102.464
flat angles C4'-P-C4' energy: -105.527
flat angles P-C4'-P energy: -72.853
tors. eta vs tors. theta energy: -39.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -760.045164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.045164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.045164 (E_RNA)
where:
Base-Base interactions energy: -421.306
where: short stacking energy: -226.062
Base-Backbone interact. energy: 5.965
local terms energy: -344.704280
where:
bonds (distance) C4'-P energy: -94.919
bonds (distance) P-C4' energy: -97.196
flat angles C4'-P-C4' energy: -72.714
flat angles P-C4'-P energy: -63.740
tors. eta vs tors. theta energy: -16.135
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: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -439.899078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.899078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.899078 (E_RNA)
where:
Base-Base interactions energy: -147.638
where: short stacking energy: -98.834
Base-Backbone interact. energy: 7.526
local terms energy: -299.786576
where:
bonds (distance) C4'-P energy: -93.652
bonds (distance) P-C4' energy: -108.625
flat angles C4'-P-C4' energy: -80.812
flat angles P-C4'-P energy: -46.336
tors. eta vs tors. theta energy: 29.638
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: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2297.515301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.515301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.515301 (E_RNA)
where:
Base-Base interactions energy: -1629.611
where: short stacking energy: -631.955
Base-Backbone interact. energy: -3.023
local terms energy: -664.881076
where:
bonds (distance) C4'-P energy: -117.380
bonds (distance) P-C4' energy: -131.499
flat angles C4'-P-C4' energy: -144.446
flat angles P-C4'-P energy: -89.981
tors. eta vs tors. theta energy: -181.574
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2188.680870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.680870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.680870 (E_RNA)
where:
Base-Base interactions energy: -1555.398
where: short stacking energy: -612.969
Base-Backbone interact. energy: 0.529
local terms energy: -633.811548
where:
bonds (distance) C4'-P energy: -117.701
bonds (distance) P-C4' energy: -120.533
flat angles C4'-P-C4' energy: -131.503
flat angles P-C4'-P energy: -89.940
tors. eta vs tors. theta energy: -174.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2110.308213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.308213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.308213 (E_RNA)
where:
Base-Base interactions energy: -1472.478
where: short stacking energy: -593.552
Base-Backbone interact. energy: 0.020
local terms energy: -637.851034
where:
bonds (distance) C4'-P energy: -109.084
bonds (distance) P-C4' energy: -122.351
flat angles C4'-P-C4' energy: -137.518
flat angles P-C4'-P energy: -87.293
tors. eta vs tors. theta energy: -181.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1947.736222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.736222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.736222 (E_RNA)
where:
Base-Base interactions energy: -1355.878
where: short stacking energy: -545.005
Base-Backbone interact. energy: 5.763
local terms energy: -597.621377
where:
bonds (distance) C4'-P energy: -104.153
bonds (distance) P-C4' energy: -110.975
flat angles C4'-P-C4' energy: -137.140
flat angles P-C4'-P energy: -82.089
tors. eta vs tors. theta energy: -163.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1881.121759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.121759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.121759 (E_RNA)
where:
Base-Base interactions energy: -1305.449
where: short stacking energy: -489.238
Base-Backbone interact. energy: -7.036
local terms energy: -568.637717
where:
bonds (distance) C4'-P energy: -115.298
bonds (distance) P-C4' energy: -117.541
flat angles C4'-P-C4' energy: -134.870
flat angles P-C4'-P energy: -71.059
tors. eta vs tors. theta energy: -129.870
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: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1769.598885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.598885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.598885 (E_RNA)
where:
Base-Base interactions energy: -1225.365
where: short stacking energy: -478.332
Base-Backbone interact. energy: -1.318
local terms energy: -542.915716
where:
bonds (distance) C4'-P energy: -105.004
bonds (distance) P-C4' energy: -101.909
flat angles C4'-P-C4' energy: -117.503
flat angles P-C4'-P energy: -78.343
tors. eta vs tors. theta energy: -140.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1510.055070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.055070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.055070 (E_RNA)
where:
Base-Base interactions energy: -986.033
where: short stacking energy: -420.471
Base-Backbone interact. energy: 3.428
local terms energy: -527.449481
where:
bonds (distance) C4'-P energy: -106.067
bonds (distance) P-C4' energy: -112.073
flat angles C4'-P-C4' energy: -129.087
flat angles P-C4'-P energy: -84.641
tors. eta vs tors. theta energy: -95.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -890.288815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.288815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.288815 (E_RNA)
where:
Base-Base interactions energy: -505.571
where: short stacking energy: -229.951
Base-Backbone interact. energy: -0.398
local terms energy: -384.320087
where:
bonds (distance) C4'-P energy: -105.951
bonds (distance) P-C4' energy: -111.071
flat angles C4'-P-C4' energy: -95.154
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -699.484344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.484344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.484344 (E_RNA)
where:
Base-Base interactions energy: -340.587
where: short stacking energy: -172.811
Base-Backbone interact. energy: 5.910
local terms energy: -364.807693
where:
bonds (distance) C4'-P energy: -108.501
bonds (distance) P-C4' energy: -90.332
flat angles C4'-P-C4' energy: -92.856
flat angles P-C4'-P energy: -58.808
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -438.849971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.849971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.849971 (E_RNA)
where:
Base-Base interactions energy: -114.658
where: short stacking energy: -104.528
Base-Backbone interact. energy: -2.866
local terms energy: -321.326153
where:
bonds (distance) C4'-P energy: -102.603
bonds (distance) P-C4' energy: -116.501
flat angles C4'-P-C4' energy: -57.938
flat angles P-C4'-P energy: -62.778
tors. eta vs tors. theta energy: 18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2312.969642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.969642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.969642 (E_RNA)
where:
Base-Base interactions energy: -1633.679
where: short stacking energy: -635.891
Base-Backbone interact. energy: -2.154
local terms energy: -677.137359
where:
bonds (distance) C4'-P energy: -124.171
bonds (distance) P-C4' energy: -120.131
flat angles C4'-P-C4' energy: -153.257
flat angles P-C4'-P energy: -94.392
tors. eta vs tors. theta energy: -185.186
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: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2207.396733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.396733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.396733 (E_RNA)
where:
Base-Base interactions energy: -1535.216
where: short stacking energy: -616.807
Base-Backbone interact. energy: -3.979
local terms energy: -668.201447
where:
bonds (distance) C4'-P energy: -132.663
bonds (distance) P-C4' energy: -115.060
flat angles C4'-P-C4' energy: -142.713
flat angles P-C4'-P energy: -86.820
tors. eta vs tors. theta energy: -190.946
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2127.704524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.704524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.704524 (E_RNA)
where:
Base-Base interactions energy: -1474.203
where: short stacking energy: -594.066
Base-Backbone interact. energy: 0.962
local terms energy: -654.463510
where:
bonds (distance) C4'-P energy: -114.537
bonds (distance) P-C4' energy: -122.856
flat angles C4'-P-C4' energy: -135.946
flat angles P-C4'-P energy: -95.066
tors. eta vs tors. theta energy: -186.059
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: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1975.792513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.792513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.792513 (E_RNA)
where:
Base-Base interactions energy: -1366.993
where: short stacking energy: -553.590
Base-Backbone interact. energy: -2.629
local terms energy: -606.170800
where:
bonds (distance) C4'-P energy: -103.237
bonds (distance) P-C4' energy: -112.852
flat angles C4'-P-C4' energy: -139.664
flat angles P-C4'-P energy: -79.953
tors. eta vs tors. theta energy: -170.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1855.306227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.306227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.306227 (E_RNA)
where:
Base-Base interactions energy: -1294.368
where: short stacking energy: -482.807
Base-Backbone interact. energy: -6.180
local terms energy: -554.757569
where:
bonds (distance) C4'-P energy: -119.738
bonds (distance) P-C4' energy: -101.501
flat angles C4'-P-C4' energy: -120.587
flat angles P-C4'-P energy: -72.679
tors. eta vs tors. theta energy: -140.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1745.087510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.087510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.087510 (E_RNA)
where:
Base-Base interactions energy: -1186.080
where: short stacking energy: -477.644
Base-Backbone interact. energy: -2.237
local terms energy: -556.771181
where:
bonds (distance) C4'-P energy: -106.850
bonds (distance) P-C4' energy: -107.302
flat angles C4'-P-C4' energy: -129.624
flat angles P-C4'-P energy: -81.597
tors. eta vs tors. theta energy: -131.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1480.837350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.837350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.837350 (E_RNA)
where:
Base-Base interactions energy: -997.368
where: short stacking energy: -405.101
Base-Backbone interact. energy: -3.507
local terms energy: -479.962571
where:
bonds (distance) C4'-P energy: -93.927
bonds (distance) P-C4' energy: -109.097
flat angles C4'-P-C4' energy: -107.265
flat angles P-C4'-P energy: -66.925
tors. eta vs tors. theta energy: -102.749
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: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -777.860473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.860473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.860473 (E_RNA)
where:
Base-Base interactions energy: -390.550
where: short stacking energy: -196.293
Base-Backbone interact. energy: 3.182
local terms energy: -390.492239
where:
bonds (distance) C4'-P energy: -111.547
bonds (distance) P-C4' energy: -107.629
flat angles C4'-P-C4' energy: -85.839
flat angles P-C4'-P energy: -72.707
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -814.521106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.521106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.521106 (E_RNA)
where:
Base-Base interactions energy: -450.087
where: short stacking energy: -215.931
Base-Backbone interact. energy: -1.487
local terms energy: -362.947546
where:
bonds (distance) C4'-P energy: -93.539
bonds (distance) P-C4' energy: -104.364
flat angles C4'-P-C4' energy: -107.916
flat angles P-C4'-P energy: -49.485
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -480.773969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.773969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.773969 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -92.011
Base-Backbone interact. energy: 1.742
local terms energy: -350.187341
where:
bonds (distance) C4'-P energy: -112.739
bonds (distance) P-C4' energy: -102.252
flat angles C4'-P-C4' energy: -94.509
flat angles P-C4'-P energy: -61.016
tors. eta vs tors. theta energy: 20.329
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: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2324.190083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.190083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.190083 (E_RNA)
where:
Base-Base interactions energy: -1639.687
where: short stacking energy: -633.224
Base-Backbone interact. energy: -4.449
local terms energy: -680.054205
where:
bonds (distance) C4'-P energy: -115.110
bonds (distance) P-C4' energy: -133.535
flat angles C4'-P-C4' energy: -151.067
flat angles P-C4'-P energy: -93.757
tors. eta vs tors. theta energy: -186.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2189.264847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.264847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.264847 (E_RNA)
where:
Base-Base interactions energy: -1524.636
where: short stacking energy: -595.475
Base-Backbone interact. energy: -6.991
local terms energy: -657.637850
where:
bonds (distance) C4'-P energy: -116.188
bonds (distance) P-C4' energy: -124.639
flat angles C4'-P-C4' energy: -142.202
flat angles P-C4'-P energy: -105.392
tors. eta vs tors. theta energy: -169.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2102.496838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.496838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.496838 (E_RNA)
where:
Base-Base interactions energy: -1441.667
where: short stacking energy: -577.549
Base-Backbone interact. energy: 10.198
local terms energy: -671.027592
where:
bonds (distance) C4'-P energy: -118.485
bonds (distance) P-C4' energy: -134.435
flat angles C4'-P-C4' energy: -138.846
flat angles P-C4'-P energy: -93.587
tors. eta vs tors. theta energy: -185.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1950.243035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.243035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.243035 (E_RNA)
where:
Base-Base interactions energy: -1365.972
where: short stacking energy: -575.249
Base-Backbone interact. energy: -2.765
local terms energy: -581.506246
where:
bonds (distance) C4'-P energy: -94.917
bonds (distance) P-C4' energy: -113.056
flat angles C4'-P-C4' energy: -127.101
flat angles P-C4'-P energy: -70.443
tors. eta vs tors. theta energy: -175.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1869.783450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.783450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.783450 (E_RNA)
where:
Base-Base interactions energy: -1293.695
where: short stacking energy: -536.987
Base-Backbone interact. energy: 3.877
local terms energy: -579.965054
where:
bonds (distance) C4'-P energy: -107.683
bonds (distance) P-C4' energy: -97.591
flat angles C4'-P-C4' energy: -125.297
flat angles P-C4'-P energy: -90.102
tors. eta vs tors. theta energy: -159.293
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: 250
Temperature: 1.150000
Total energy: -1781.482056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.482056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.482056 (E_RNA)
where:
Base-Base interactions energy: -1194.141
where: short stacking energy: -472.354
Base-Backbone interact. energy: -6.308
local terms energy: -581.033278
where:
bonds (distance) C4'-P energy: -120.321
bonds (distance) P-C4' energy: -120.884
flat angles C4'-P-C4' energy: -117.714
flat angles P-C4'-P energy: -84.892
tors. eta vs tors. theta energy: -137.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1551.139124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.139124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.139124 (E_RNA)
where:
Base-Base interactions energy: -1060.852
where: short stacking energy: -423.391
Base-Backbone interact. energy: -1.362
local terms energy: -488.924969
where:
bonds (distance) C4'-P energy: -86.827
bonds (distance) P-C4' energy: -112.063
flat angles C4'-P-C4' energy: -120.176
flat angles P-C4'-P energy: -67.018
tors. eta vs tors. theta energy: -102.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -799.070245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.070245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.070245 (E_RNA)
where:
Base-Base interactions energy: -434.265
where: short stacking energy: -215.835
Base-Backbone interact. energy: 0.853
local terms energy: -365.657798
where:
bonds (distance) C4'-P energy: -97.928
bonds (distance) P-C4' energy: -118.103
flat angles C4'-P-C4' energy: -71.265
flat angles P-C4'-P energy: -59.026
tors. eta vs tors. theta energy: -19.337
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: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -884.494351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.494351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.494351 (E_RNA)
where:
Base-Base interactions energy: -461.447
where: short stacking energy: -231.797
Base-Backbone interact. energy: 1.907
local terms energy: -424.953866
where:
bonds (distance) C4'-P energy: -101.727
bonds (distance) P-C4' energy: -106.027
flat angles C4'-P-C4' energy: -99.966
flat angles P-C4'-P energy: -75.797
tors. eta vs tors. theta energy: -41.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -464.290470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.290470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.290470 (E_RNA)
where:
Base-Base interactions energy: -155.137
where: short stacking energy: -128.616
Base-Backbone interact. energy: -0.834
local terms energy: -308.318774
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -96.383
flat angles C4'-P-C4' energy: -90.089
flat angles P-C4'-P energy: -51.019
tors. eta vs tors. theta energy: 24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2308.104786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.104786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.104786 (E_RNA)
where:
Base-Base interactions energy: -1621.583
where: short stacking energy: -623.936
Base-Backbone interact. energy: -0.247
local terms energy: -686.274395
where:
bonds (distance) C4'-P energy: -115.623
bonds (distance) P-C4' energy: -128.369
flat angles C4'-P-C4' energy: -150.160
flat angles P-C4'-P energy: -106.693
tors. eta vs tors. theta energy: -185.429
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: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2196.381052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.381052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.381052 (E_RNA)
where:
Base-Base interactions energy: -1543.784
where: short stacking energy: -619.957
Base-Backbone interact. energy: 0.045
local terms energy: -652.642016
where:
bonds (distance) C4'-P energy: -122.524
bonds (distance) P-C4' energy: -123.115
flat angles C4'-P-C4' energy: -139.424
flat angles P-C4'-P energy: -84.306
tors. eta vs tors. theta energy: -183.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2094.271318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.271318 (E_RNA)
where:
Base-Base interactions energy: -1444.479
where: short stacking energy: -603.333
Base-Backbone interact. energy: 2.294
local terms energy: -652.086604
where:
bonds (distance) C4'-P energy: -110.577
bonds (distance) P-C4' energy: -125.474
flat angles C4'-P-C4' energy: -144.892
flat angles P-C4'-P energy: -90.206
tors. eta vs tors. theta energy: -180.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1971.492076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.492076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.492076 (E_RNA)
where:
Base-Base interactions energy: -1362.278
where: short stacking energy: -576.630
Base-Backbone interact. energy: -2.206
local terms energy: -607.008726
where:
bonds (distance) C4'-P energy: -114.925
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -83.077
tors. eta vs tors. theta energy: -175.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1869.880342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.880342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.880342 (E_RNA)
where:
Base-Base interactions energy: -1283.005
where: short stacking energy: -507.930
Base-Backbone interact. energy: 4.144
local terms energy: -591.019901
where:
bonds (distance) C4'-P energy: -113.170
bonds (distance) P-C4' energy: -110.788
flat angles C4'-P-C4' energy: -115.479
flat angles P-C4'-P energy: -94.584
tors. eta vs tors. theta energy: -156.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1769.154634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.154634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.154634 (E_RNA)
where:
Base-Base interactions energy: -1218.254
where: short stacking energy: -475.593
Base-Backbone interact. energy: -4.062
local terms energy: -546.838504
where:
bonds (distance) C4'-P energy: -95.852
bonds (distance) P-C4' energy: -105.292
flat angles C4'-P-C4' energy: -129.434
flat angles P-C4'-P energy: -80.000
tors. eta vs tors. theta energy: -136.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1530.154551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.154551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.154551 (E_RNA)
where:
Base-Base interactions energy: -1046.192
where: short stacking energy: -415.230
Base-Backbone interact. energy: -3.400
local terms energy: -480.563039
where:
bonds (distance) C4'-P energy: -99.665
bonds (distance) P-C4' energy: -106.714
flat angles C4'-P-C4' energy: -105.615
flat angles P-C4'-P energy: -57.118
tors. eta vs tors. theta energy: -111.451
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: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -933.173499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.173499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.173499 (E_RNA)
where:
Base-Base interactions energy: -514.082
where: short stacking energy: -249.113
Base-Backbone interact. energy: -1.627
local terms energy: -417.464326
where:
bonds (distance) C4'-P energy: -107.412
bonds (distance) P-C4' energy: -88.422
flat angles C4'-P-C4' energy: -105.716
flat angles P-C4'-P energy: -79.144
tors. eta vs tors. theta energy: -36.770
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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -781.507095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.507095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.507095 (E_RNA)
where:
Base-Base interactions energy: -409.302
where: short stacking energy: -219.173
Base-Backbone interact. energy: 0.294
local terms energy: -372.500002
where:
bonds (distance) C4'-P energy: -88.775
bonds (distance) P-C4' energy: -112.391
flat angles C4'-P-C4' energy: -98.137
flat angles P-C4'-P energy: -67.053
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -469.810140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.810140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.810140 (E_RNA)
where:
Base-Base interactions energy: -184.227
where: short stacking energy: -157.876
Base-Backbone interact. energy: 4.154
local terms energy: -289.737174
where:
bonds (distance) C4'-P energy: -80.722
bonds (distance) P-C4' energy: -96.512
flat angles C4'-P-C4' energy: -81.057
flat angles P-C4'-P energy: -42.532
tors. eta vs tors. theta energy: 11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2323.162923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.162923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.162923 (E_RNA)
where:
Base-Base interactions energy: -1672.127
where: short stacking energy: -646.022
Base-Backbone interact. energy: 5.128
local terms energy: -656.164112
where:
bonds (distance) C4'-P energy: -121.304
bonds (distance) P-C4' energy: -116.315
flat angles C4'-P-C4' energy: -140.934
flat angles P-C4'-P energy: -90.507
tors. eta vs tors. theta energy: -187.103
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: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2163.403175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.403175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.403175 (E_RNA)
where:
Base-Base interactions energy: -1513.739
where: short stacking energy: -603.659
Base-Backbone interact. energy: -5.149
local terms energy: -644.515483
where:
bonds (distance) C4'-P energy: -124.023
bonds (distance) P-C4' energy: -120.691
flat angles C4'-P-C4' energy: -124.969
flat angles P-C4'-P energy: -93.346
tors. eta vs tors. theta energy: -181.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2089.048665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.048665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.048665 (E_RNA)
where:
Base-Base interactions energy: -1452.100
where: short stacking energy: -608.592
Base-Backbone interact. energy: 2.175
local terms energy: -639.123005
where:
bonds (distance) C4'-P energy: -114.754
bonds (distance) P-C4' energy: -114.640
flat angles C4'-P-C4' energy: -134.321
flat angles P-C4'-P energy: -94.303
tors. eta vs tors. theta energy: -181.105
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: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1944.246623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.246623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.246623 (E_RNA)
where:
Base-Base interactions energy: -1338.905
where: short stacking energy: -554.727
Base-Backbone interact. energy: -0.715
local terms energy: -604.626232
where:
bonds (distance) C4'-P energy: -126.359
bonds (distance) P-C4' energy: -108.134
flat angles C4'-P-C4' energy: -126.730
flat angles P-C4'-P energy: -74.150
tors. eta vs tors. theta energy: -169.254
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: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1906.565170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.565170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.565170 (E_RNA)
where:
Base-Base interactions energy: -1333.223
where: short stacking energy: -552.876
Base-Backbone interact. energy: 1.436
local terms energy: -574.778384
where:
bonds (distance) C4'-P energy: -87.561
bonds (distance) P-C4' energy: -120.040
flat angles C4'-P-C4' energy: -129.433
flat angles P-C4'-P energy: -74.112
tors. eta vs tors. theta energy: -163.633
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: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1796.506742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.506742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.506742 (E_RNA)
where:
Base-Base interactions energy: -1260.038
where: short stacking energy: -508.750
Base-Backbone interact. energy: -3.386
local terms energy: -533.082807
where:
bonds (distance) C4'-P energy: -110.312
bonds (distance) P-C4' energy: -87.837
flat angles C4'-P-C4' energy: -116.439
flat angles P-C4'-P energy: -82.283
tors. eta vs tors. theta energy: -136.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1549.042234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.042234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.042234 (E_RNA)
where:
Base-Base interactions energy: -1028.779
where: short stacking energy: -421.721
Base-Backbone interact. energy: 2.006
local terms energy: -522.269253
where:
bonds (distance) C4'-P energy: -97.444
bonds (distance) P-C4' energy: -113.056
flat angles C4'-P-C4' energy: -122.290
flat angles P-C4'-P energy: -75.234
tors. eta vs tors. theta energy: -114.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -916.302381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.302381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.302381 (E_RNA)
where:
Base-Base interactions energy: -521.866
where: short stacking energy: -248.464
Base-Backbone interact. energy: 2.205
local terms energy: -396.642184
where:
bonds (distance) C4'-P energy: -103.075
bonds (distance) P-C4' energy: -113.795
flat angles C4'-P-C4' energy: -102.001
flat angles P-C4'-P energy: -59.593
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -775.963665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.963665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.963665 (E_RNA)
where:
Base-Base interactions energy: -410.993
where: short stacking energy: -206.250
Base-Backbone interact. energy: 1.246
local terms energy: -366.216476
where:
bonds (distance) C4'-P energy: -80.349
bonds (distance) P-C4' energy: -101.067
flat angles C4'-P-C4' energy: -86.669
flat angles P-C4'-P energy: -67.985
tors. eta vs tors. theta energy: -30.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -466.376415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.376415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.376415 (E_RNA)
where:
Base-Base interactions energy: -152.984
where: short stacking energy: -102.051
Base-Backbone interact. energy: 11.585
local terms energy: -324.977281
where:
bonds (distance) C4'-P energy: -111.387
bonds (distance) P-C4' energy: -115.176
flat angles C4'-P-C4' energy: -82.805
flat angles P-C4'-P energy: -42.550
tors. eta vs tors. theta energy: 26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2298.442729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.442729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.442729 (E_RNA)
where:
Base-Base interactions energy: -1636.618
where: short stacking energy: -637.797
Base-Backbone interact. energy: 3.609
local terms energy: -665.434651
where:
bonds (distance) C4'-P energy: -120.131
bonds (distance) P-C4' energy: -128.340
flat angles C4'-P-C4' energy: -141.267
flat angles P-C4'-P energy: -89.615
tors. eta vs tors. theta energy: -186.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2175.430636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.430636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.430636 (E_RNA)
where:
Base-Base interactions energy: -1525.124
where: short stacking energy: -602.847
Base-Backbone interact. energy: -3.794
local terms energy: -646.513513
where:
bonds (distance) C4'-P energy: -110.066
bonds (distance) P-C4' energy: -125.855
flat angles C4'-P-C4' energy: -134.544
flat angles P-C4'-P energy: -94.679
tors. eta vs tors. theta energy: -181.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2111.052626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.052626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.052626 (E_RNA)
where:
Base-Base interactions energy: -1436.074
where: short stacking energy: -578.577
Base-Backbone interact. energy: 2.879
local terms energy: -677.857294
where:
bonds (distance) C4'-P energy: -116.210
bonds (distance) P-C4' energy: -130.419
flat angles C4'-P-C4' energy: -144.497
flat angles P-C4'-P energy: -97.912
tors. eta vs tors. theta energy: -188.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1908.002592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.002592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.002592 (E_RNA)
where:
Base-Base interactions energy: -1329.653
where: short stacking energy: -564.675
Base-Backbone interact. energy: -1.750
local terms energy: -576.599689
where:
bonds (distance) C4'-P energy: -91.937
bonds (distance) P-C4' energy: -111.500
flat angles C4'-P-C4' energy: -133.655
flat angles P-C4'-P energy: -84.174
tors. eta vs tors. theta energy: -155.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1874.034212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.034212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.034212 (E_RNA)
where:
Base-Base interactions energy: -1280.540
where: short stacking energy: -504.674
Base-Backbone interact. energy: -1.574
local terms energy: -591.920449
where:
bonds (distance) C4'-P energy: -120.643
bonds (distance) P-C4' energy: -107.781
flat angles C4'-P-C4' energy: -119.326
flat angles P-C4'-P energy: -83.222
tors. eta vs tors. theta energy: -160.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1785.592758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.592758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.592758 (E_RNA)
where:
Base-Base interactions energy: -1224.028
where: short stacking energy: -481.207
Base-Backbone interact. energy: -2.998
local terms energy: -558.566599
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -119.932
flat angles C4'-P-C4' energy: -115.586
flat angles P-C4'-P energy: -76.371
tors. eta vs tors. theta energy: -142.680
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: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1538.619779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.619779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.619779 (E_RNA)
where:
Base-Base interactions energy: -1019.512
where: short stacking energy: -409.885
Base-Backbone interact. energy: -0.092
local terms energy: -519.016087
where:
bonds (distance) C4'-P energy: -112.733
bonds (distance) P-C4' energy: -99.170
flat angles C4'-P-C4' energy: -116.244
flat angles P-C4'-P energy: -66.333
tors. eta vs tors. theta energy: -124.536
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: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -903.954374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.954374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.954374 (E_RNA)
where:
Base-Base interactions energy: -494.774
where: short stacking energy: -247.571
Base-Backbone interact. energy: 3.679
local terms energy: -412.859524
where:
bonds (distance) C4'-P energy: -99.593
bonds (distance) P-C4' energy: -118.055
flat angles C4'-P-C4' energy: -104.896
flat angles P-C4'-P energy: -63.178
tors. eta vs tors. theta energy: -27.138
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: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -834.001747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.001747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.001747 (E_RNA)
where:
Base-Base interactions energy: -443.627
where: short stacking energy: -230.556
Base-Backbone interact. energy: 1.056
local terms energy: -391.430195
where:
bonds (distance) C4'-P energy: -114.157
bonds (distance) P-C4' energy: -105.635
flat angles C4'-P-C4' energy: -113.736
flat angles P-C4'-P energy: -47.136
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -450.840409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.840409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.840409 (E_RNA)
where:
Base-Base interactions energy: -132.167
where: short stacking energy: -104.285
Base-Backbone interact. energy: 10.260
local terms energy: -328.933608
where:
bonds (distance) C4'-P energy: -101.085
bonds (distance) P-C4' energy: -113.104
flat angles C4'-P-C4' energy: -93.784
flat angles P-C4'-P energy: -50.751
tors. eta vs tors. theta energy: 29.790
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: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2308.336946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.336946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.336946 (E_RNA)
where:
Base-Base interactions energy: -1638.917
where: short stacking energy: -634.116
Base-Backbone interact. energy: -4.288
local terms energy: -665.131922
where:
bonds (distance) C4'-P energy: -124.353
bonds (distance) P-C4' energy: -119.121
flat angles C4'-P-C4' energy: -144.287
flat angles P-C4'-P energy: -98.797
tors. eta vs tors. theta energy: -178.575
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: 2, replica: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2190.392304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.392304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.392304 (E_RNA)
where:
Base-Base interactions energy: -1550.404
where: short stacking energy: -619.804
Base-Backbone interact. energy: -0.366
local terms energy: -639.622583
where:
bonds (distance) C4'-P energy: -108.781
bonds (distance) P-C4' energy: -106.173
flat angles C4'-P-C4' energy: -144.908
flat angles P-C4'-P energy: -91.428
tors. eta vs tors. theta energy: -188.333
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: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2078.497069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.497069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.497069 (E_RNA)
where:
Base-Base interactions energy: -1444.146
where: short stacking energy: -589.244
Base-Backbone interact. energy: -2.393
local terms energy: -631.958633
where:
bonds (distance) C4'-P energy: -113.269
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -138.188
flat angles P-C4'-P energy: -88.165
tors. eta vs tors. theta energy: -176.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1946.645484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.645484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.645484 (E_RNA)
where:
Base-Base interactions energy: -1337.037
where: short stacking energy: -542.047
Base-Backbone interact. energy: -0.837
local terms energy: -608.771670
where:
bonds (distance) C4'-P energy: -122.879
bonds (distance) P-C4' energy: -119.105
flat angles C4'-P-C4' energy: -124.074
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -165.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2028.347765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.347765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.347765 (E_RNA)
where:
Base-Base interactions energy: -1402.842
where: short stacking energy: -544.359
Base-Backbone interact. energy: 0.975
local terms energy: -626.480578
where:
bonds (distance) C4'-P energy: -112.170
bonds (distance) P-C4' energy: -120.990
flat angles C4'-P-C4' energy: -137.614
flat angles P-C4'-P energy: -91.391
tors. eta vs tors. theta energy: -164.315
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: 254
Temperature: 1.150000
Total energy: -1804.374017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.374017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.374017 (E_RNA)
where:
Base-Base interactions energy: -1223.047
where: short stacking energy: -469.125
Base-Backbone interact. energy: -4.320
local terms energy: -577.007161
where:
bonds (distance) C4'-P energy: -113.208
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -128.231
flat angles P-C4'-P energy: -91.101
tors. eta vs tors. theta energy: -132.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1497.400976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.400976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.400976 (E_RNA)
where:
Base-Base interactions energy: -1002.676
where: short stacking energy: -424.115
Base-Backbone interact. energy: -2.550
local terms energy: -492.174510
where:
bonds (distance) C4'-P energy: -100.596
bonds (distance) P-C4' energy: -101.330
flat angles C4'-P-C4' energy: -107.428
flat angles P-C4'-P energy: -74.486
tors. eta vs tors. theta energy: -108.335
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: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -910.063026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.063026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.063026 (E_RNA)
where:
Base-Base interactions energy: -511.140
where: short stacking energy: -254.379
Base-Backbone interact. energy: 0.745
local terms energy: -399.667621
where:
bonds (distance) C4'-P energy: -92.718
bonds (distance) P-C4' energy: -108.868
flat angles C4'-P-C4' energy: -106.585
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -33.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -759.752766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.752766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.752766 (E_RNA)
where:
Base-Base interactions energy: -405.585
where: short stacking energy: -201.633
Base-Backbone interact. energy: 3.923
local terms energy: -358.091307
where:
bonds (distance) C4'-P energy: -92.882
bonds (distance) P-C4' energy: -122.836
flat angles C4'-P-C4' energy: -77.945
flat angles P-C4'-P energy: -61.173
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: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -462.386949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.386949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.386949 (E_RNA)
where:
Base-Base interactions energy: -133.631
where: short stacking energy: -107.711
Base-Backbone interact. energy: 4.506
local terms energy: -333.261707
where:
bonds (distance) C4'-P energy: -90.379
bonds (distance) P-C4' energy: -124.092
flat angles C4'-P-C4' energy: -87.031
flat angles P-C4'-P energy: -53.363
tors. eta vs tors. theta energy: 21.602
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: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2295.856459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.856459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.856459 (E_RNA)
where:
Base-Base interactions energy: -1631.424
where: short stacking energy: -651.759
Base-Backbone interact. energy: 1.051
local terms energy: -665.483315
where:
bonds (distance) C4'-P energy: -120.542
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -135.030
flat angles P-C4'-P energy: -98.328
tors. eta vs tors. theta energy: -186.046
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: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2181.140789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.140789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.140789 (E_RNA)
where:
Base-Base interactions energy: -1512.838
where: short stacking energy: -605.325
Base-Backbone interact. energy: -3.219
local terms energy: -665.083491
where:
bonds (distance) C4'-P energy: -114.262
bonds (distance) P-C4' energy: -136.108
flat angles C4'-P-C4' energy: -136.513
flat angles P-C4'-P energy: -93.950
tors. eta vs tors. theta energy: -184.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2086.060838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.060838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.060838 (E_RNA)
where:
Base-Base interactions energy: -1453.854
where: short stacking energy: -606.869
Base-Backbone interact. energy: 4.683
local terms energy: -636.890098
where:
bonds (distance) C4'-P energy: -121.393
bonds (distance) P-C4' energy: -103.881
flat angles C4'-P-C4' energy: -135.308
flat angles P-C4'-P energy: -89.014
tors. eta vs tors. theta energy: -187.293
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: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2003.580418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.580418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.580418 (E_RNA)
where:
Base-Base interactions energy: -1364.766
where: short stacking energy: -583.925
Base-Backbone interact. energy: -1.779
local terms energy: -637.035596
where:
bonds (distance) C4'-P energy: -110.929
bonds (distance) P-C4' energy: -126.503
flat angles C4'-P-C4' energy: -136.352
flat angles P-C4'-P energy: -87.306
tors. eta vs tors. theta energy: -175.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1850.372336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.372336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.372336 (E_RNA)
where:
Base-Base interactions energy: -1286.438
where: short stacking energy: -524.609
Base-Backbone interact. energy: 1.004
local terms energy: -564.938150
where:
bonds (distance) C4'-P energy: -103.018
bonds (distance) P-C4' energy: -87.729
flat angles C4'-P-C4' energy: -133.849
flat angles P-C4'-P energy: -78.523
tors. eta vs tors. theta energy: -161.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1786.062254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.062254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.062254 (E_RNA)
where:
Base-Base interactions energy: -1245.019
where: short stacking energy: -475.812
Base-Backbone interact. energy: -2.205
local terms energy: -538.838152
where:
bonds (distance) C4'-P energy: -102.854
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -112.643
flat angles P-C4'-P energy: -79.538
tors. eta vs tors. theta energy: -127.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1540.098651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.098651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.098651 (E_RNA)
where:
Base-Base interactions energy: -1054.992
where: short stacking energy: -420.203
Base-Backbone interact. energy: -2.734
local terms energy: -482.373104
where:
bonds (distance) C4'-P energy: -96.323
bonds (distance) P-C4' energy: -109.662
flat angles C4'-P-C4' energy: -109.351
flat angles P-C4'-P energy: -67.406
tors. eta vs tors. theta energy: -99.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -885.848139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.848139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.848139 (E_RNA)
where:
Base-Base interactions energy: -494.620
where: short stacking energy: -251.143
Base-Backbone interact. energy: 0.756
local terms energy: -391.984311
where:
bonds (distance) C4'-P energy: -85.509
bonds (distance) P-C4' energy: -113.336
flat angles C4'-P-C4' energy: -107.505
flat angles P-C4'-P energy: -59.806
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -763.176037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.176037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.176037 (E_RNA)
where:
Base-Base interactions energy: -388.682
where: short stacking energy: -205.262
Base-Backbone interact. energy: -3.293
local terms energy: -371.200759
where:
bonds (distance) C4'-P energy: -107.961
bonds (distance) P-C4' energy: -101.019
flat angles C4'-P-C4' energy: -88.823
flat angles P-C4'-P energy: -59.813
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -446.960033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.960033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.960033 (E_RNA)
where:
Base-Base interactions energy: -114.773
where: short stacking energy: -89.830
Base-Backbone interact. energy: 3.895
local terms energy: -336.082107
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -121.633
flat angles C4'-P-C4' energy: -88.633
flat angles P-C4'-P energy: -50.012
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: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2337.093830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.093830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.093830 (E_RNA)
where:
Base-Base interactions energy: -1635.084
where: short stacking energy: -645.308
Base-Backbone interact. energy: -0.169
local terms energy: -701.840534
where:
bonds (distance) C4'-P energy: -132.091
bonds (distance) P-C4' energy: -130.916
flat angles C4'-P-C4' energy: -146.008
flat angles P-C4'-P energy: -105.160
tors. eta vs tors. theta energy: -187.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2194.822928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.822928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.822928 (E_RNA)
where:
Base-Base interactions energy: -1556.494
where: short stacking energy: -639.055
Base-Backbone interact. energy: -3.687
local terms energy: -634.641409
where:
bonds (distance) C4'-P energy: -107.170
bonds (distance) P-C4' energy: -116.401
flat angles C4'-P-C4' energy: -126.639
flat angles P-C4'-P energy: -100.058
tors. eta vs tors. theta energy: -184.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2066.058271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.058271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.058271 (E_RNA)
where:
Base-Base interactions energy: -1422.727
where: short stacking energy: -554.963
Base-Backbone interact. energy: -1.041
local terms energy: -642.290942
where:
bonds (distance) C4'-P energy: -130.705
bonds (distance) P-C4' energy: -119.609
flat angles C4'-P-C4' energy: -133.291
flat angles P-C4'-P energy: -77.053
tors. eta vs tors. theta energy: -181.633
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: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1988.991902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.991902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.991902 (E_RNA)
where:
Base-Base interactions energy: -1369.752
where: short stacking energy: -528.042
Base-Backbone interact. energy: -2.362
local terms energy: -616.878572
where:
bonds (distance) C4'-P energy: -121.292
bonds (distance) P-C4' energy: -121.189
flat angles C4'-P-C4' energy: -124.138
flat angles P-C4'-P energy: -80.375
tors. eta vs tors. theta energy: -169.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1843.599932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.599932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.599932 (E_RNA)
where:
Base-Base interactions energy: -1247.944
where: short stacking energy: -504.828
Base-Backbone interact. energy: -3.082
local terms energy: -592.574474
where:
bonds (distance) C4'-P energy: -105.672
bonds (distance) P-C4' energy: -117.550
flat angles C4'-P-C4' energy: -126.866
flat angles P-C4'-P energy: -89.048
tors. eta vs tors. theta energy: -153.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1865.872854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.872854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.872854 (E_RNA)
where:
Base-Base interactions energy: -1287.371
where: short stacking energy: -509.747
Base-Backbone interact. energy: -5.051
local terms energy: -573.450770
where:
bonds (distance) C4'-P energy: -109.770
bonds (distance) P-C4' energy: -106.817
flat angles C4'-P-C4' energy: -115.006
flat angles P-C4'-P energy: -95.248
tors. eta vs tors. theta energy: -146.610
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: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1571.170409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.170409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.170409 (E_RNA)
where:
Base-Base interactions energy: -1049.518
where: short stacking energy: -417.176
Base-Backbone interact. energy: -2.060
local terms energy: -519.591825
where:
bonds (distance) C4'-P energy: -111.376
bonds (distance) P-C4' energy: -96.328
flat angles C4'-P-C4' energy: -113.606
flat angles P-C4'-P energy: -76.389
tors. eta vs tors. theta energy: -121.893
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: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -860.451473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.451473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.451473 (E_RNA)
where:
Base-Base interactions energy: -476.243
where: short stacking energy: -225.293
Base-Backbone interact. energy: 3.470
local terms energy: -387.678698
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -101.596
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -823.049056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.049056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.049056 (E_RNA)
where:
Base-Base interactions energy: -448.513
where: short stacking energy: -238.702
Base-Backbone interact. energy: -0.157
local terms energy: -374.378814
where:
bonds (distance) C4'-P energy: -80.103
bonds (distance) P-C4' energy: -112.574
flat angles C4'-P-C4' energy: -89.472
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: -34.935
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: 256
Temperature: 1.350000
Total energy: -457.968640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.968640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.968640 (E_RNA)
where:
Base-Base interactions energy: -158.553
where: short stacking energy: -124.626
Base-Backbone interact. energy: 10.174
local terms energy: -309.590274
where:
bonds (distance) C4'-P energy: -77.753
bonds (distance) P-C4' energy: -96.100
flat angles C4'-P-C4' energy: -98.114
flat angles P-C4'-P energy: -61.235
tors. eta vs tors. theta energy: 23.613
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: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2326.132236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.132236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.132236 (E_RNA)
where:
Base-Base interactions energy: -1655.972
where: short stacking energy: -665.744
Base-Backbone interact. energy: 1.985
local terms energy: -672.145951
where:
bonds (distance) C4'-P energy: -121.417
bonds (distance) P-C4' energy: -123.146
flat angles C4'-P-C4' energy: -145.593
flat angles P-C4'-P energy: -95.856
tors. eta vs tors. theta energy: -186.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2234.824814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.824814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.824814 (E_RNA)
where:
Base-Base interactions energy: -1553.556
where: short stacking energy: -621.759
Base-Backbone interact. energy: 3.702
local terms energy: -684.970144
where:
bonds (distance) C4'-P energy: -124.030
bonds (distance) P-C4' energy: -129.982
flat angles C4'-P-C4' energy: -150.994
flat angles P-C4'-P energy: -91.637
tors. eta vs tors. theta energy: -188.328
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: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2081.957296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.957296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.957296 (E_RNA)
where:
Base-Base interactions energy: -1463.373
where: short stacking energy: -596.017
Base-Backbone interact. energy: 1.070
local terms energy: -619.653590
where:
bonds (distance) C4'-P energy: -109.348
bonds (distance) P-C4' energy: -100.530
flat angles C4'-P-C4' energy: -137.829
flat angles P-C4'-P energy: -87.197
tors. eta vs tors. theta energy: -184.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2041.690184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.690184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.690184 (E_RNA)
where:
Base-Base interactions energy: -1406.774
where: short stacking energy: -563.025
Base-Backbone interact. energy: -1.855
local terms energy: -633.060575
where:
bonds (distance) C4'-P energy: -115.159
bonds (distance) P-C4' energy: -120.227
flat angles C4'-P-C4' energy: -133.463
flat angles P-C4'-P energy: -88.052
tors. eta vs tors. theta energy: -176.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1851.271377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.271377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.271377 (E_RNA)
where:
Base-Base interactions energy: -1255.224
where: short stacking energy: -499.926
Base-Backbone interact. energy: 0.210
local terms energy: -596.256846
where:
bonds (distance) C4'-P energy: -104.827
bonds (distance) P-C4' energy: -128.612
flat angles C4'-P-C4' energy: -135.549
flat angles P-C4'-P energy: -78.374
tors. eta vs tors. theta energy: -148.894
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: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1828.243158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.243158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.243158 (E_RNA)
where:
Base-Base interactions energy: -1266.587
where: short stacking energy: -514.270
Base-Backbone interact. energy: -2.102
local terms energy: -559.554059
where:
bonds (distance) C4'-P energy: -95.475
bonds (distance) P-C4' energy: -107.596
flat angles C4'-P-C4' energy: -115.889
flat angles P-C4'-P energy: -91.138
tors. eta vs tors. theta energy: -149.457
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: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1547.289192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.289192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.289192 (E_RNA)
where:
Base-Base interactions energy: -1037.808
where: short stacking energy: -417.490
Base-Backbone interact. energy: -3.516
local terms energy: -505.965584
where:
bonds (distance) C4'-P energy: -112.533
bonds (distance) P-C4' energy: -103.633
flat angles C4'-P-C4' energy: -111.814
flat angles P-C4'-P energy: -74.810
tors. eta vs tors. theta energy: -103.176
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: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -898.047067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.047067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.047067 (E_RNA)
where:
Base-Base interactions energy: -502.417
where: short stacking energy: -245.948
Base-Backbone interact. energy: 2.811
local terms energy: -398.440804
where:
bonds (distance) C4'-P energy: -101.367
bonds (distance) P-C4' energy: -107.494
flat angles C4'-P-C4' energy: -119.999
flat angles P-C4'-P energy: -57.516
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: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -776.849469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.849469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.849469 (E_RNA)
where:
Base-Base interactions energy: -413.843
where: short stacking energy: -208.690
Base-Backbone interact. energy: 1.426
local terms energy: -364.432640
where:
bonds (distance) C4'-P energy: -90.119
bonds (distance) P-C4' energy: -117.613
flat angles C4'-P-C4' energy: -86.850
flat angles P-C4'-P energy: -53.844
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -453.233171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.233171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.233171 (E_RNA)
where:
Base-Base interactions energy: -148.969
where: short stacking energy: -119.504
Base-Backbone interact. energy: 0.020
local terms energy: -304.283474
where:
bonds (distance) C4'-P energy: -90.041
bonds (distance) P-C4' energy: -108.987
flat angles C4'-P-C4' energy: -71.793
flat angles P-C4'-P energy: -50.301
tors. eta vs tors. theta energy: 16.838
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: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2321.897173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.897173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.897173 (E_RNA)
where:
Base-Base interactions energy: -1644.530
where: short stacking energy: -644.087
Base-Backbone interact. energy: 4.984
local terms energy: -682.350940
where:
bonds (distance) C4'-P energy: -121.670
bonds (distance) P-C4' energy: -143.242
flat angles C4'-P-C4' energy: -142.836
flat angles P-C4'-P energy: -92.768
tors. eta vs tors. theta energy: -181.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2195.853915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.853915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.853915 (E_RNA)
where:
Base-Base interactions energy: -1530.204
where: short stacking energy: -608.934
Base-Backbone interact. energy: -2.214
local terms energy: -663.435744
where:
bonds (distance) C4'-P energy: -123.690
bonds (distance) P-C4' energy: -127.993
flat angles C4'-P-C4' energy: -131.969
flat angles P-C4'-P energy: -96.106
tors. eta vs tors. theta energy: -183.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2113.366838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.366838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.366838 (E_RNA)
where:
Base-Base interactions energy: -1471.792
where: short stacking energy: -582.232
Base-Backbone interact. energy: -2.400
local terms energy: -639.175156
where:
bonds (distance) C4'-P energy: -110.242
bonds (distance) P-C4' energy: -126.874
flat angles C4'-P-C4' energy: -131.490
flat angles P-C4'-P energy: -91.823
tors. eta vs tors. theta energy: -178.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2027.915340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.915340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.915340 (E_RNA)
where:
Base-Base interactions energy: -1396.923
where: short stacking energy: -584.596
Base-Backbone interact. energy: 0.568
local terms energy: -631.560772
where:
bonds (distance) C4'-P energy: -114.055
bonds (distance) P-C4' energy: -107.068
flat angles C4'-P-C4' energy: -142.106
flat angles P-C4'-P energy: -88.515
tors. eta vs tors. theta energy: -179.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1851.250190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.250190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.250190 (E_RNA)
where:
Base-Base interactions energy: -1270.033
where: short stacking energy: -515.407
Base-Backbone interact. energy: 4.793
local terms energy: -586.009732
where:
bonds (distance) C4'-P energy: -112.999
bonds (distance) P-C4' energy: -105.964
flat angles C4'-P-C4' energy: -129.139
flat angles P-C4'-P energy: -78.375
tors. eta vs tors. theta energy: -159.532
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: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1823.989545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.989545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.989545 (E_RNA)
where:
Base-Base interactions energy: -1259.816
where: short stacking energy: -491.573
Base-Backbone interact. energy: -0.935
local terms energy: -563.238904
where:
bonds (distance) C4'-P energy: -110.397
bonds (distance) P-C4' energy: -123.271
flat angles C4'-P-C4' energy: -110.570
flat angles P-C4'-P energy: -76.646
tors. eta vs tors. theta energy: -142.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1576.753557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.753557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.753557 (E_RNA)
where:
Base-Base interactions energy: -1071.495
where: short stacking energy: -431.712
Base-Backbone interact. energy: 3.658
local terms energy: -508.916431
where:
bonds (distance) C4'-P energy: -95.014
bonds (distance) P-C4' energy: -113.351
flat angles C4'-P-C4' energy: -128.774
flat angles P-C4'-P energy: -50.207
tors. eta vs tors. theta energy: -121.569
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: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -929.517423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.517423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.517423 (E_RNA)
where:
Base-Base interactions energy: -521.007
where: short stacking energy: -275.902
Base-Backbone interact. energy: 4.398
local terms energy: -412.908116
where:
bonds (distance) C4'-P energy: -106.236
bonds (distance) P-C4' energy: -113.962
flat angles C4'-P-C4' energy: -110.114
flat angles P-C4'-P energy: -58.399
tors. eta vs tors. theta energy: -24.197
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: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -739.131600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.131600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.131600 (E_RNA)
where:
Base-Base interactions energy: -365.692
where: short stacking energy: -185.817
Base-Backbone interact. energy: -2.407
local terms energy: -371.033024
where:
bonds (distance) C4'-P energy: -96.488
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -88.716
flat angles P-C4'-P energy: -68.343
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -443.998647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.998647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.998647 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -115.823
Base-Backbone interact. energy: -1.259
local terms energy: -317.653726
where:
bonds (distance) C4'-P energy: -112.524
bonds (distance) P-C4' energy: -122.373
flat angles C4'-P-C4' energy: -68.359
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: 27.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2291.680203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.680203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.680203 (E_RNA)
where:
Base-Base interactions energy: -1626.723
where: short stacking energy: -611.077
Base-Backbone interact. energy: -0.840
local terms energy: -664.117637
where:
bonds (distance) C4'-P energy: -130.920
bonds (distance) P-C4' energy: -127.431
flat angles C4'-P-C4' energy: -125.234
flat angles P-C4'-P energy: -102.467
tors. eta vs tors. theta energy: -178.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2186.433717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.433717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.433717 (E_RNA)
where:
Base-Base interactions energy: -1529.017
where: short stacking energy: -602.010
Base-Backbone interact. energy: -2.765
local terms energy: -654.652028
where:
bonds (distance) C4'-P energy: -116.873
bonds (distance) P-C4' energy: -115.277
flat angles C4'-P-C4' energy: -135.784
flat angles P-C4'-P energy: -94.886
tors. eta vs tors. theta energy: -191.832
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: 259
Temperature: 1.000000
Total energy: -2125.412885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.412885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.412885 (E_RNA)
where:
Base-Base interactions energy: -1488.332
where: short stacking energy: -606.703
Base-Backbone interact. energy: -3.089
local terms energy: -633.992321
where:
bonds (distance) C4'-P energy: -110.143
bonds (distance) P-C4' energy: -108.134
flat angles C4'-P-C4' energy: -133.930
flat angles P-C4'-P energy: -96.292
tors. eta vs tors. theta energy: -185.493
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: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1990.064290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.064290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.064290 (E_RNA)
where:
Base-Base interactions energy: -1351.062
where: short stacking energy: -566.999
Base-Backbone interact. energy: -2.650
local terms energy: -636.352478
where:
bonds (distance) C4'-P energy: -119.852
bonds (distance) P-C4' energy: -97.828
flat angles C4'-P-C4' energy: -141.080
flat angles P-C4'-P energy: -104.896
tors. eta vs tors. theta energy: -172.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1826.700329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.700329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.700329 (E_RNA)
where:
Base-Base interactions energy: -1258.540
where: short stacking energy: -537.106
Base-Backbone interact. energy: 0.627
local terms energy: -568.788155
where:
bonds (distance) C4'-P energy: -104.863
bonds (distance) P-C4' energy: -116.493
flat angles C4'-P-C4' energy: -112.517
flat angles P-C4'-P energy: -75.050
tors. eta vs tors. theta energy: -159.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1815.275181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.275181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.275181 (E_RNA)
where:
Base-Base interactions energy: -1268.918
where: short stacking energy: -493.369
Base-Backbone interact. energy: 1.963
local terms energy: -548.320110
where:
bonds (distance) C4'-P energy: -92.180
bonds (distance) P-C4' energy: -113.729
flat angles C4'-P-C4' energy: -116.181
flat angles P-C4'-P energy: -87.177
tors. eta vs tors. theta energy: -139.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1563.300545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.300545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.300545 (E_RNA)
where:
Base-Base interactions energy: -1060.371
where: short stacking energy: -460.916
Base-Backbone interact. energy: -0.357
local terms energy: -502.572927
where:
bonds (distance) C4'-P energy: -105.534
bonds (distance) P-C4' energy: -95.692
flat angles C4'-P-C4' energy: -120.476
flat angles P-C4'-P energy: -58.755
tors. eta vs tors. theta energy: -122.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -882.235620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.235620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.235620 (E_RNA)
where:
Base-Base interactions energy: -489.703
where: short stacking energy: -233.548
Base-Backbone interact. energy: -2.182
local terms energy: -390.351330
where:
bonds (distance) C4'-P energy: -107.631
bonds (distance) P-C4' energy: -121.526
flat angles C4'-P-C4' energy: -76.842
flat angles P-C4'-P energy: -34.013
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: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -781.869347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.869347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.869347 (E_RNA)
where:
Base-Base interactions energy: -408.619
where: short stacking energy: -217.780
Base-Backbone interact. energy: 4.964
local terms energy: -378.214870
where:
bonds (distance) C4'-P energy: -96.587
bonds (distance) P-C4' energy: -109.928
flat angles C4'-P-C4' energy: -105.597
flat angles P-C4'-P energy: -51.390
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -434.792261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.792261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.792261 (E_RNA)
where:
Base-Base interactions energy: -110.899
where: short stacking energy: -96.617
Base-Backbone interact. energy: -0.376
local terms energy: -323.516809
where:
bonds (distance) C4'-P energy: -104.301
bonds (distance) P-C4' energy: -121.636
flat angles C4'-P-C4' energy: -81.940
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: 43.474
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: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2281.715649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.715649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.715649 (E_RNA)
where:
Base-Base interactions energy: -1611.101
where: short stacking energy: -630.925
Base-Backbone interact. energy: 2.292
local terms energy: -672.907094
where:
bonds (distance) C4'-P energy: -121.675
bonds (distance) P-C4' energy: -115.952
flat angles C4'-P-C4' energy: -150.101
flat angles P-C4'-P energy: -102.185
tors. eta vs tors. theta energy: -182.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2192.890516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.890516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.890516 (E_RNA)
where:
Base-Base interactions energy: -1514.030
where: short stacking energy: -601.524
Base-Backbone interact. energy: 0.875
local terms energy: -679.735510
where:
bonds (distance) C4'-P energy: -122.769
bonds (distance) P-C4' energy: -124.746
flat angles C4'-P-C4' energy: -141.128
flat angles P-C4'-P energy: -107.087
tors. eta vs tors. theta energy: -184.006
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2134.264800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.264800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.264800 (E_RNA)
where:
Base-Base interactions energy: -1485.119
where: short stacking energy: -610.580
Base-Backbone interact. energy: -0.824
local terms energy: -648.321047
where:
bonds (distance) C4'-P energy: -106.607
bonds (distance) P-C4' energy: -116.343
flat angles C4'-P-C4' energy: -144.366
flat angles P-C4'-P energy: -91.682
tors. eta vs tors. theta energy: -189.324
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2065.434622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.434622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.434622 (E_RNA)
where:
Base-Base interactions energy: -1449.681
where: short stacking energy: -580.095
Base-Backbone interact. energy: -1.679
local terms energy: -614.074355
where:
bonds (distance) C4'-P energy: -121.442
bonds (distance) P-C4' energy: -109.384
flat angles C4'-P-C4' energy: -126.182
flat angles P-C4'-P energy: -74.008
tors. eta vs tors. theta energy: -183.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1824.367916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.367916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.367916 (E_RNA)
where:
Base-Base interactions energy: -1227.129
where: short stacking energy: -520.755
Base-Backbone interact. energy: 0.496
local terms energy: -597.734604
where:
bonds (distance) C4'-P energy: -113.916
bonds (distance) P-C4' energy: -127.347
flat angles C4'-P-C4' energy: -129.116
flat angles P-C4'-P energy: -71.438
tors. eta vs tors. theta energy: -155.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1840.009849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.009849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.009849 (E_RNA)
where:
Base-Base interactions energy: -1264.534
where: short stacking energy: -500.111
Base-Backbone interact. energy: -6.002
local terms energy: -569.473526
where:
bonds (distance) C4'-P energy: -113.853
bonds (distance) P-C4' energy: -113.468
flat angles C4'-P-C4' energy: -128.503
flat angles P-C4'-P energy: -79.425
tors. eta vs tors. theta energy: -134.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1522.216761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.216761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.216761 (E_RNA)
where:
Base-Base interactions energy: -1024.875
where: short stacking energy: -432.260
Base-Backbone interact. energy: 1.393
local terms energy: -498.734450
where:
bonds (distance) C4'-P energy: -98.534
bonds (distance) P-C4' energy: -119.710
flat angles C4'-P-C4' energy: -104.753
flat angles P-C4'-P energy: -58.938
tors. eta vs tors. theta energy: -116.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -890.914020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.914020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.914020 (E_RNA)
where:
Base-Base interactions energy: -475.964
where: short stacking energy: -246.373
Base-Backbone interact. energy: 1.127
local terms energy: -416.077469
where:
bonds (distance) C4'-P energy: -88.674
bonds (distance) P-C4' energy: -119.585
flat angles C4'-P-C4' energy: -108.109
flat angles P-C4'-P energy: -60.034
tors. eta vs tors. theta energy: -39.675
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: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -807.716454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.716454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.716454 (E_RNA)
where:
Base-Base interactions energy: -420.698
where: short stacking energy: -204.540
Base-Backbone interact. energy: 2.240
local terms energy: -389.258413
where:
bonds (distance) C4'-P energy: -113.105
bonds (distance) P-C4' energy: -99.780
flat angles C4'-P-C4' energy: -92.327
flat angles P-C4'-P energy: -63.414
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -439.600032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.600032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.600032 (E_RNA)
where:
Base-Base interactions energy: -119.905
where: short stacking energy: -103.268
Base-Backbone interact. energy: -0.510
local terms energy: -319.184159
where:
bonds (distance) C4'-P energy: -113.752
bonds (distance) P-C4' energy: -117.797
flat angles C4'-P-C4' energy: -85.104
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: 19.487
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2313.958781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.958781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.958781 (E_RNA)
where:
Base-Base interactions energy: -1646.626
where: short stacking energy: -626.104
Base-Backbone interact. energy: 1.140
local terms energy: -668.472589
where:
bonds (distance) C4'-P energy: -126.679
bonds (distance) P-C4' energy: -117.351
flat angles C4'-P-C4' energy: -145.039
flat angles P-C4'-P energy: -102.309
tors. eta vs tors. theta energy: -177.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2204.983805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.983805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.983805 (E_RNA)
where:
Base-Base interactions energy: -1497.181
where: short stacking energy: -607.861
Base-Backbone interact. energy: -0.869
local terms energy: -706.933815
where:
bonds (distance) C4'-P energy: -130.648
bonds (distance) P-C4' energy: -133.989
flat angles C4'-P-C4' energy: -142.841
flat angles P-C4'-P energy: -100.858
tors. eta vs tors. theta energy: -198.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2088.708255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.708255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.708255 (E_RNA)
where:
Base-Base interactions energy: -1491.434
where: short stacking energy: -597.244
Base-Backbone interact. energy: -5.099
local terms energy: -592.175463
where:
bonds (distance) C4'-P energy: -97.856
bonds (distance) P-C4' energy: -109.483
flat angles C4'-P-C4' energy: -135.203
flat angles P-C4'-P energy: -66.057
tors. eta vs tors. theta energy: -183.577
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: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2135.002457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.002457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.002457 (E_RNA)
where:
Base-Base interactions energy: -1501.773
where: short stacking energy: -586.158
Base-Backbone interact. energy: -1.306
local terms energy: -631.924100
where:
bonds (distance) C4'-P energy: -112.898
bonds (distance) P-C4' energy: -109.015
flat angles C4'-P-C4' energy: -132.791
flat angles P-C4'-P energy: -84.208
tors. eta vs tors. theta energy: -193.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1790.222539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.222539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.222539 (E_RNA)
where:
Base-Base interactions energy: -1225.884
where: short stacking energy: -480.692
Base-Backbone interact. energy: 1.408
local terms energy: -565.746440
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -122.482
flat angles C4'-P-C4' energy: -114.831
flat angles P-C4'-P energy: -96.142
tors. eta vs tors. theta energy: -143.417
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: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1830.079601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.079601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.079601 (E_RNA)
where:
Base-Base interactions energy: -1298.420
where: short stacking energy: -524.198
Base-Backbone interact. energy: -6.627
local terms energy: -525.032647
where:
bonds (distance) C4'-P energy: -102.247
bonds (distance) P-C4' energy: -98.761
flat angles C4'-P-C4' energy: -123.274
flat angles P-C4'-P energy: -68.667
tors. eta vs tors. theta energy: -132.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1559.584851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.584851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.584851 (E_RNA)
where:
Base-Base interactions energy: -1047.266
where: short stacking energy: -435.071
Base-Backbone interact. energy: -2.756
local terms energy: -509.563356
where:
bonds (distance) C4'-P energy: -99.659
bonds (distance) P-C4' energy: -102.681
flat angles C4'-P-C4' energy: -116.949
flat angles P-C4'-P energy: -74.624
tors. eta vs tors. theta energy: -115.650
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: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -883.991590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.991590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.991590 (E_RNA)
where:
Base-Base interactions energy: -494.305
where: short stacking energy: -253.408
Base-Backbone interact. energy: 0.849
local terms energy: -390.535595
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -107.808
flat angles C4'-P-C4' energy: -78.539
flat angles P-C4'-P energy: -55.036
tors. eta vs tors. theta energy: -42.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -840.975574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.975574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.975574 (E_RNA)
where:
Base-Base interactions energy: -454.644
where: short stacking energy: -223.355
Base-Backbone interact. energy: -2.643
local terms energy: -383.688720
where:
bonds (distance) C4'-P energy: -92.866
bonds (distance) P-C4' energy: -128.875
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -52.965
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -451.939643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.939643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.939643 (E_RNA)
where:
Base-Base interactions energy: -155.283
where: short stacking energy: -123.890
Base-Backbone interact. energy: -0.339
local terms energy: -296.317631
where:
bonds (distance) C4'-P energy: -91.717
bonds (distance) P-C4' energy: -107.031
flat angles C4'-P-C4' energy: -64.655
flat angles P-C4'-P energy: -55.597
tors. eta vs tors. theta energy: 22.682
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: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2327.989599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.989599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.989599 (E_RNA)
where:
Base-Base interactions energy: -1664.352
where: short stacking energy: -648.874
Base-Backbone interact. energy: 4.600
local terms energy: -668.237323
where:
bonds (distance) C4'-P energy: -117.264
bonds (distance) P-C4' energy: -117.394
flat angles C4'-P-C4' energy: -147.047
flat angles P-C4'-P energy: -103.580
tors. eta vs tors. theta energy: -182.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2194.194866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.194866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.194866 (E_RNA)
where:
Base-Base interactions energy: -1508.086
where: short stacking energy: -601.176
Base-Backbone interact. energy: -3.405
local terms energy: -682.703985
where:
bonds (distance) C4'-P energy: -125.080
bonds (distance) P-C4' energy: -133.407
flat angles C4'-P-C4' energy: -144.343
flat angles P-C4'-P energy: -95.301
tors. eta vs tors. theta energy: -184.572
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: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2131.931777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.931777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.931777 (E_RNA)
where:
Base-Base interactions energy: -1488.348
where: short stacking energy: -598.788
Base-Backbone interact. energy: -0.650
local terms energy: -642.933344
where:
bonds (distance) C4'-P energy: -109.923
bonds (distance) P-C4' energy: -122.430
flat angles C4'-P-C4' energy: -130.125
flat angles P-C4'-P energy: -100.587
tors. eta vs tors. theta energy: -179.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2031.202866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.202866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.202866 (E_RNA)
where:
Base-Base interactions energy: -1396.888
where: short stacking energy: -553.639
Base-Backbone interact. energy: -1.908
local terms energy: -632.406271
where:
bonds (distance) C4'-P energy: -121.203
bonds (distance) P-C4' energy: -117.968
flat angles C4'-P-C4' energy: -136.692
flat angles P-C4'-P energy: -87.351
tors. eta vs tors. theta energy: -169.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1855.313529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.313529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.313529 (E_RNA)
where:
Base-Base interactions energy: -1290.336
where: short stacking energy: -509.324
Base-Backbone interact. energy: -5.992
local terms energy: -558.985307
where:
bonds (distance) C4'-P energy: -106.852
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -87.664
tors. eta vs tors. theta energy: -133.379
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: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1777.910924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.910924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.910924 (E_RNA)
where:
Base-Base interactions energy: -1200.429
where: short stacking energy: -509.156
Base-Backbone interact. energy: 0.766
local terms energy: -578.247855
where:
bonds (distance) C4'-P energy: -104.867
bonds (distance) P-C4' energy: -122.329
flat angles C4'-P-C4' energy: -124.521
flat angles P-C4'-P energy: -69.278
tors. eta vs tors. theta energy: -157.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1588.450858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.450858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.450858 (E_RNA)
where:
Base-Base interactions energy: -1067.738
where: short stacking energy: -425.859
Base-Backbone interact. energy: -1.829
local terms energy: -518.883504
where:
bonds (distance) C4'-P energy: -94.483
bonds (distance) P-C4' energy: -119.993
flat angles C4'-P-C4' energy: -117.413
flat angles P-C4'-P energy: -77.725
tors. eta vs tors. theta energy: -109.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1038.484231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.484231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.484231 (E_RNA)
where:
Base-Base interactions energy: -606.145
where: short stacking energy: -302.970
Base-Backbone interact. energy: 0.850
local terms energy: -433.189057
where:
bonds (distance) C4'-P energy: -97.100
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -103.777
flat angles P-C4'-P energy: -49.056
tors. eta vs tors. theta energy: -62.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -858.934682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.934682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.934682 (E_RNA)
where:
Base-Base interactions energy: -475.651
where: short stacking energy: -217.531
Base-Backbone interact. energy: -2.618
local terms energy: -380.666189
where:
bonds (distance) C4'-P energy: -100.380
bonds (distance) P-C4' energy: -117.296
flat angles C4'-P-C4' energy: -88.589
flat angles P-C4'-P energy: -63.562
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: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -461.692565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.692565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.692565 (E_RNA)
where:
Base-Base interactions energy: -182.221
where: short stacking energy: -117.296
Base-Backbone interact. energy: 1.735
local terms energy: -281.206203
where:
bonds (distance) C4'-P energy: -99.092
bonds (distance) P-C4' energy: -99.956
flat angles C4'-P-C4' energy: -70.884
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: 24.418
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: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2348.141653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.141653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.141653 (E_RNA)
where:
Base-Base interactions energy: -1674.746
where: short stacking energy: -636.580
Base-Backbone interact. energy: 2.107
local terms energy: -675.503056
where:
bonds (distance) C4'-P energy: -131.918
bonds (distance) P-C4' energy: -120.962
flat angles C4'-P-C4' energy: -140.523
flat angles P-C4'-P energy: -98.088
tors. eta vs tors. theta energy: -184.012
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: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2217.220455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.220455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.220455 (E_RNA)
where:
Base-Base interactions energy: -1543.084
where: short stacking energy: -618.106
Base-Backbone interact. energy: -3.457
local terms energy: -670.679588
where:
bonds (distance) C4'-P energy: -125.738
bonds (distance) P-C4' energy: -120.306
flat angles C4'-P-C4' energy: -141.275
flat angles P-C4'-P energy: -94.993
tors. eta vs tors. theta energy: -188.368
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: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2138.429439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.429439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.429439 (E_RNA)
where:
Base-Base interactions energy: -1489.656
where: short stacking energy: -608.242
Base-Backbone interact. energy: -0.719
local terms energy: -648.055034
where:
bonds (distance) C4'-P energy: -108.009
bonds (distance) P-C4' energy: -109.194
flat angles C4'-P-C4' energy: -142.312
flat angles P-C4'-P energy: -99.477
tors. eta vs tors. theta energy: -189.062
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: 263
Temperature: 1.050000
Total energy: -2012.086840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.086840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.086840 (E_RNA)
where:
Base-Base interactions energy: -1397.390
where: short stacking energy: -528.179
Base-Backbone interact. energy: -1.742
local terms energy: -612.954832
where:
bonds (distance) C4'-P energy: -103.642
bonds (distance) P-C4' energy: -119.559
flat angles C4'-P-C4' energy: -129.187
flat angles P-C4'-P energy: -86.512
tors. eta vs tors. theta energy: -174.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1871.122461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.122461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.122461 (E_RNA)
where:
Base-Base interactions energy: -1302.419
where: short stacking energy: -509.352
Base-Backbone interact. energy: 2.546
local terms energy: -571.249080
where:
bonds (distance) C4'-P energy: -99.199
bonds (distance) P-C4' energy: -116.420
flat angles C4'-P-C4' energy: -126.692
flat angles P-C4'-P energy: -85.059
tors. eta vs tors. theta energy: -143.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1789.386572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.386572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.386572 (E_RNA)
where:
Base-Base interactions energy: -1263.013
where: short stacking energy: -525.768
Base-Backbone interact. energy: 7.282
local terms energy: -533.655987
where:
bonds (distance) C4'-P energy: -94.920
bonds (distance) P-C4' energy: -89.455
flat angles C4'-P-C4' energy: -115.991
flat angles P-C4'-P energy: -76.080
tors. eta vs tors. theta energy: -157.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1603.461948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.461948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.461948 (E_RNA)
where:
Base-Base interactions energy: -1113.977
where: short stacking energy: -442.310
Base-Backbone interact. energy: -0.901
local terms energy: -488.583712
where:
bonds (distance) C4'-P energy: -98.004
bonds (distance) P-C4' energy: -98.655
flat angles C4'-P-C4' energy: -116.090
flat angles P-C4'-P energy: -65.434
tors. eta vs tors. theta energy: -110.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1017.654363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.654363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.654363 (E_RNA)
where:
Base-Base interactions energy: -578.990
where: short stacking energy: -295.579
Base-Backbone interact. energy: -1.376
local terms energy: -437.288226
where:
bonds (distance) C4'-P energy: -99.107
bonds (distance) P-C4' energy: -105.874
flat angles C4'-P-C4' energy: -91.184
flat angles P-C4'-P energy: -73.598
tors. eta vs tors. theta energy: -67.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -910.667957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.667957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.667957 (E_RNA)
where:
Base-Base interactions energy: -537.148
where: short stacking energy: -263.997
Base-Backbone interact. energy: 2.607
local terms energy: -376.127447
where:
bonds (distance) C4'-P energy: -102.110
bonds (distance) P-C4' energy: -103.448
flat angles C4'-P-C4' energy: -80.149
flat angles P-C4'-P energy: -53.721
tors. eta vs tors. theta energy: -36.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -463.591770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.591770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.591770 (E_RNA)
where:
Base-Base interactions energy: -159.888
where: short stacking energy: -107.225
Base-Backbone interact. energy: 0.577
local terms energy: -304.280932
where:
bonds (distance) C4'-P energy: -94.239
bonds (distance) P-C4' energy: -110.568
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: 22.031
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: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2358.676105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.676105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.676105 (E_RNA)
where:
Base-Base interactions energy: -1684.607
where: short stacking energy: -645.102
Base-Backbone interact. energy: 1.179
local terms energy: -675.248219
where:
bonds (distance) C4'-P energy: -126.116
bonds (distance) P-C4' energy: -122.799
flat angles C4'-P-C4' energy: -140.007
flat angles P-C4'-P energy: -92.733
tors. eta vs tors. theta energy: -193.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2216.485237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.485237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.485237 (E_RNA)
where:
Base-Base interactions energy: -1538.946
where: short stacking energy: -628.318
Base-Backbone interact. energy: -4.271
local terms energy: -673.268684
where:
bonds (distance) C4'-P energy: -119.355
bonds (distance) P-C4' energy: -132.262
flat angles C4'-P-C4' energy: -140.020
flat angles P-C4'-P energy: -93.143
tors. eta vs tors. theta energy: -188.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2182.750990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.750990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.750990 (E_RNA)
where:
Base-Base interactions energy: -1551.395
where: short stacking energy: -625.111
Base-Backbone interact. energy: 1.330
local terms energy: -632.686083
where:
bonds (distance) C4'-P energy: -111.344
bonds (distance) P-C4' energy: -105.989
flat angles C4'-P-C4' energy: -136.326
flat angles P-C4'-P energy: -90.401
tors. eta vs tors. theta energy: -188.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2042.704184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.704184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.704184 (E_RNA)
where:
Base-Base interactions energy: -1395.750
where: short stacking energy: -536.974
Base-Backbone interact. energy: -1.930
local terms energy: -645.024145
where:
bonds (distance) C4'-P energy: -102.178
bonds (distance) P-C4' energy: -126.319
flat angles C4'-P-C4' energy: -132.772
flat angles P-C4'-P energy: -93.792
tors. eta vs tors. theta energy: -189.962
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: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1874.335476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.335476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.335476 (E_RNA)
where:
Base-Base interactions energy: -1262.604
where: short stacking energy: -525.497
Base-Backbone interact. energy: -6.493
local terms energy: -605.238522
where:
bonds (distance) C4'-P energy: -120.233
bonds (distance) P-C4' energy: -107.855
flat angles C4'-P-C4' energy: -132.348
flat angles P-C4'-P energy: -86.142
tors. eta vs tors. theta energy: -158.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1698.365244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.365244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.365244 (E_RNA)
where:
Base-Base interactions energy: -1163.284
where: short stacking energy: -485.825
Base-Backbone interact. energy: -0.701
local terms energy: -534.380521
where:
bonds (distance) C4'-P energy: -106.365
bonds (distance) P-C4' energy: -91.123
flat angles C4'-P-C4' energy: -119.541
flat angles P-C4'-P energy: -70.287
tors. eta vs tors. theta energy: -147.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1603.118539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.118539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.118539 (E_RNA)
where:
Base-Base interactions energy: -1064.841
where: short stacking energy: -425.876
Base-Backbone interact. energy: -2.127
local terms energy: -536.150507
where:
bonds (distance) C4'-P energy: -112.034
bonds (distance) P-C4' energy: -108.334
flat angles C4'-P-C4' energy: -128.697
flat angles P-C4'-P energy: -66.467
tors. eta vs tors. theta energy: -120.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1078.323756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.323756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.323756 (E_RNA)
where:
Base-Base interactions energy: -645.104
where: short stacking energy: -317.084
Base-Backbone interact. energy: -2.160
local terms energy: -431.060150
where:
bonds (distance) C4'-P energy: -93.689
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -110.390
flat angles P-C4'-P energy: -61.803
tors. eta vs tors. theta energy: -62.799
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -890.617914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.617914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.617914 (E_RNA)
where:
Base-Base interactions energy: -501.538
where: short stacking energy: -244.166
Base-Backbone interact. energy: -0.671
local terms energy: -388.409297
where:
bonds (distance) C4'-P energy: -103.999
bonds (distance) P-C4' energy: -122.336
flat angles C4'-P-C4' energy: -84.746
flat angles P-C4'-P energy: -48.321
tors. eta vs tors. theta energy: -29.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -444.761537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.761537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.761537 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -90.357
Base-Backbone interact. energy: 2.787
local terms energy: -335.894453
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -125.888
flat angles C4'-P-C4' energy: -97.464
flat angles P-C4'-P energy: -53.972
tors. eta vs tors. theta energy: 30.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2351.882577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.882577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.882577 (E_RNA)
where:
Base-Base interactions energy: -1677.867
where: short stacking energy: -645.692
Base-Backbone interact. energy: 1.498
local terms energy: -675.513803
where:
bonds (distance) C4'-P energy: -136.546
bonds (distance) P-C4' energy: -127.000
flat angles C4'-P-C4' energy: -141.117
flat angles P-C4'-P energy: -80.589
tors. eta vs tors. theta energy: -190.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2283.395836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.395836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.395836 (E_RNA)
where:
Base-Base interactions energy: -1607.985
where: short stacking energy: -647.718
Base-Backbone interact. energy: -0.135
local terms energy: -675.275374
where:
bonds (distance) C4'-P energy: -106.967
bonds (distance) P-C4' energy: -134.393
flat angles C4'-P-C4' energy: -142.870
flat angles P-C4'-P energy: -94.942
tors. eta vs tors. theta energy: -196.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2160.149892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.149892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.149892 (E_RNA)
where:
Base-Base interactions energy: -1512.866
where: short stacking energy: -603.889
Base-Backbone interact. energy: -4.431
local terms energy: -642.852787
where:
bonds (distance) C4'-P energy: -126.111
bonds (distance) P-C4' energy: -116.058
flat angles C4'-P-C4' energy: -133.079
flat angles P-C4'-P energy: -84.839
tors. eta vs tors. theta energy: -182.766
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: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1991.627891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.627891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.627891 (E_RNA)
where:
Base-Base interactions energy: -1342.170
where: short stacking energy: -540.723
Base-Backbone interact. energy: -1.600
local terms energy: -647.858535
where:
bonds (distance) C4'-P energy: -113.849
bonds (distance) P-C4' energy: -135.838
flat angles C4'-P-C4' energy: -145.304
flat angles P-C4'-P energy: -89.096
tors. eta vs tors. theta energy: -163.772
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: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1816.584027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.584027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.584027 (E_RNA)
where:
Base-Base interactions energy: -1245.769
where: short stacking energy: -505.339
Base-Backbone interact. energy: 1.171
local terms energy: -571.985685
where:
bonds (distance) C4'-P energy: -116.370
bonds (distance) P-C4' energy: -108.184
flat angles C4'-P-C4' energy: -134.187
flat angles P-C4'-P energy: -65.894
tors. eta vs tors. theta energy: -147.351
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1683.473600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.473600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.473600 (E_RNA)
where:
Base-Base interactions energy: -1142.661
where: short stacking energy: -452.999
Base-Backbone interact. energy: -0.486
local terms energy: -540.326058
where:
bonds (distance) C4'-P energy: -106.527
bonds (distance) P-C4' energy: -109.658
flat angles C4'-P-C4' energy: -121.786
flat angles P-C4'-P energy: -79.643
tors. eta vs tors. theta energy: -122.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1693.307745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.307745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.307745 (E_RNA)
where:
Base-Base interactions energy: -1150.354
where: short stacking energy: -472.226
Base-Backbone interact. energy: 1.511
local terms energy: -544.464769
where:
bonds (distance) C4'-P energy: -100.118
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -111.475
flat angles P-C4'-P energy: -87.044
tors. eta vs tors. theta energy: -135.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1087.825701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.825701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.825701 (E_RNA)
where:
Base-Base interactions energy: -649.160
where: short stacking energy: -297.144
Base-Backbone interact. energy: -2.701
local terms energy: -435.965645
where:
bonds (distance) C4'-P energy: -115.536
bonds (distance) P-C4' energy: -92.399
flat angles C4'-P-C4' energy: -109.824
flat angles P-C4'-P energy: -54.744
tors. eta vs tors. theta energy: -63.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -884.970580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.970580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.970580 (E_RNA)
where:
Base-Base interactions energy: -499.619
where: short stacking energy: -248.727
Base-Backbone interact. energy: 3.156
local terms energy: -388.507437
where:
bonds (distance) C4'-P energy: -106.618
bonds (distance) P-C4' energy: -110.355
flat angles C4'-P-C4' energy: -81.331
flat angles P-C4'-P energy: -53.743
tors. eta vs tors. theta energy: -36.460
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: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -438.284839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.284839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.284839 (E_RNA)
where:
Base-Base interactions energy: -128.676
where: short stacking energy: -98.309
Base-Backbone interact. energy: 3.458
local terms energy: -313.066461
where:
bonds (distance) C4'-P energy: -93.898
bonds (distance) P-C4' energy: -122.500
flat angles C4'-P-C4' energy: -94.297
flat angles P-C4'-P energy: -36.870
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: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2318.363815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.363815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.363815 (E_RNA)
where:
Base-Base interactions energy: -1639.430
where: short stacking energy: -627.170
Base-Backbone interact. energy: -1.934
local terms energy: -676.999652
where:
bonds (distance) C4'-P energy: -134.695
bonds (distance) P-C4' energy: -120.864
flat angles C4'-P-C4' energy: -140.528
flat angles P-C4'-P energy: -91.994
tors. eta vs tors. theta energy: -188.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2262.113776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.113776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.113776 (E_RNA)
where:
Base-Base interactions energy: -1588.341
where: short stacking energy: -637.578
Base-Backbone interact. energy: -2.833
local terms energy: -670.939156
where:
bonds (distance) C4'-P energy: -115.152
bonds (distance) P-C4' energy: -135.670
flat angles C4'-P-C4' energy: -138.503
flat angles P-C4'-P energy: -91.128
tors. eta vs tors. theta energy: -190.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2130.732847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.732847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.732847 (E_RNA)
where:
Base-Base interactions energy: -1475.959
where: short stacking energy: -582.210
Base-Backbone interact. energy: -3.256
local terms energy: -651.517664
where:
bonds (distance) C4'-P energy: -115.277
bonds (distance) P-C4' energy: -115.656
flat angles C4'-P-C4' energy: -140.635
flat angles P-C4'-P energy: -92.040
tors. eta vs tors. theta energy: -187.910
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: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2001.730272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.730272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.730272 (E_RNA)
where:
Base-Base interactions energy: -1377.451
where: short stacking energy: -550.824
Base-Backbone interact. energy: -1.657
local terms energy: -622.622527
where:
bonds (distance) C4'-P energy: -120.688
bonds (distance) P-C4' energy: -119.522
flat angles C4'-P-C4' energy: -131.653
flat angles P-C4'-P energy: -88.298
tors. eta vs tors. theta energy: -162.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1855.272556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.272556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.272556 (E_RNA)
where:
Base-Base interactions energy: -1277.731
where: short stacking energy: -504.416
Base-Backbone interact. energy: -5.611
local terms energy: -571.930351
where:
bonds (distance) C4'-P energy: -101.057
bonds (distance) P-C4' energy: -111.788
flat angles C4'-P-C4' energy: -126.304
flat angles P-C4'-P energy: -78.950
tors. eta vs tors. theta energy: -153.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1689.172222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.172222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.172222 (E_RNA)
where:
Base-Base interactions energy: -1157.478
where: short stacking energy: -467.005
Base-Backbone interact. energy: -4.131
local terms energy: -527.563481
where:
bonds (distance) C4'-P energy: -105.630
bonds (distance) P-C4' energy: -113.281
flat angles C4'-P-C4' energy: -119.091
flat angles P-C4'-P energy: -70.147
tors. eta vs tors. theta energy: -119.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1628.156590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.156590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.156590 (E_RNA)
where:
Base-Base interactions energy: -1120.023
where: short stacking energy: -453.993
Base-Backbone interact. energy: 5.866
local terms energy: -513.999096
where:
bonds (distance) C4'-P energy: -91.838
bonds (distance) P-C4' energy: -107.447
flat angles C4'-P-C4' energy: -106.604
flat angles P-C4'-P energy: -76.029
tors. eta vs tors. theta energy: -132.082
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: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1024.725732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.725732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.725732 (E_RNA)
where:
Base-Base interactions energy: -609.408
where: short stacking energy: -295.537
Base-Backbone interact. energy: -0.168
local terms energy: -415.149658
where:
bonds (distance) C4'-P energy: -109.100
bonds (distance) P-C4' energy: -103.226
flat angles C4'-P-C4' energy: -101.380
flat angles P-C4'-P energy: -51.156
tors. eta vs tors. theta energy: -50.288
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: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -832.779419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.779419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.779419 (E_RNA)
where:
Base-Base interactions energy: -438.534
where: short stacking energy: -199.101
Base-Backbone interact. energy: 0.345
local terms energy: -394.590118
where:
bonds (distance) C4'-P energy: -108.138
bonds (distance) P-C4' energy: -108.128
flat angles C4'-P-C4' energy: -102.298
flat angles P-C4'-P energy: -53.041
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -444.402677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.402677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.402677 (E_RNA)
where:
Base-Base interactions energy: -160.093
where: short stacking energy: -136.668
Base-Backbone interact. energy: -2.254
local terms energy: -282.055546
where:
bonds (distance) C4'-P energy: -69.655
bonds (distance) P-C4' energy: -116.660
flat angles C4'-P-C4' energy: -84.537
flat angles P-C4'-P energy: -51.779
tors. eta vs tors. theta energy: 40.576
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: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2326.625986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.625986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.625986 (E_RNA)
where:
Base-Base interactions energy: -1665.923
where: short stacking energy: -649.712
Base-Backbone interact. energy: -2.447
local terms energy: -658.256664
where:
bonds (distance) C4'-P energy: -128.063
bonds (distance) P-C4' energy: -116.608
flat angles C4'-P-C4' energy: -138.356
flat angles P-C4'-P energy: -91.380
tors. eta vs tors. theta energy: -183.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2244.004650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.004650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.004650 (E_RNA)
where:
Base-Base interactions energy: -1559.206
where: short stacking energy: -635.595
Base-Backbone interact. energy: 0.868
local terms energy: -685.666851
where:
bonds (distance) C4'-P energy: -108.943
bonds (distance) P-C4' energy: -142.425
flat angles C4'-P-C4' energy: -136.131
flat angles P-C4'-P energy: -102.468
tors. eta vs tors. theta energy: -195.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2122.476057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.476057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.476057 (E_RNA)
where:
Base-Base interactions energy: -1475.604
where: short stacking energy: -577.855
Base-Backbone interact. energy: -4.218
local terms energy: -642.653724
where:
bonds (distance) C4'-P energy: -115.735
bonds (distance) P-C4' energy: -108.261
flat angles C4'-P-C4' energy: -154.639
flat angles P-C4'-P energy: -84.735
tors. eta vs tors. theta energy: -179.283
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: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1992.326194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.326194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.326194 (E_RNA)
where:
Base-Base interactions energy: -1381.340
where: short stacking energy: -561.165
Base-Backbone interact. energy: -1.131
local terms energy: -609.855397
where:
bonds (distance) C4'-P energy: -119.419
bonds (distance) P-C4' energy: -87.898
flat angles C4'-P-C4' energy: -133.668
flat angles P-C4'-P energy: -91.806
tors. eta vs tors. theta energy: -177.064
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: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1857.635412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.635412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.635412 (E_RNA)
where:
Base-Base interactions energy: -1280.320
where: short stacking energy: -513.952
Base-Backbone interact. energy: -1.085
local terms energy: -576.229590
where:
bonds (distance) C4'-P energy: -111.434
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -115.835
flat angles P-C4'-P energy: -89.680
tors. eta vs tors. theta energy: -148.697
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: 267
Temperature: 1.150000
Total energy: -1656.108471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.108471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.108471 (E_RNA)
where:
Base-Base interactions energy: -1108.664
where: short stacking energy: -466.998
Base-Backbone interact. energy: 0.143
local terms energy: -547.587981
where:
bonds (distance) C4'-P energy: -126.714
bonds (distance) P-C4' energy: -97.379
flat angles C4'-P-C4' energy: -113.622
flat angles P-C4'-P energy: -78.595
tors. eta vs tors. theta energy: -131.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1593.111161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.111161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.111161 (E_RNA)
where:
Base-Base interactions energy: -1056.020
where: short stacking energy: -436.816
Base-Backbone interact. energy: 0.699
local terms energy: -537.790470
where:
bonds (distance) C4'-P energy: -116.325
bonds (distance) P-C4' energy: -110.367
flat angles C4'-P-C4' energy: -120.129
flat angles P-C4'-P energy: -72.791
tors. eta vs tors. theta energy: -118.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1020.728753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.728753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.728753 (E_RNA)
where:
Base-Base interactions energy: -617.171
where: short stacking energy: -301.185
Base-Backbone interact. energy: 1.097
local terms energy: -404.654279
where:
bonds (distance) C4'-P energy: -84.606
bonds (distance) P-C4' energy: -104.820
flat angles C4'-P-C4' energy: -103.535
flat angles P-C4'-P energy: -59.017
tors. eta vs tors. theta energy: -52.677
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: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -812.414137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.414137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.414137 (E_RNA)
where:
Base-Base interactions energy: -409.547
where: short stacking energy: -217.288
Base-Backbone interact. energy: -0.368
local terms energy: -402.499013
where:
bonds (distance) C4'-P energy: -102.075
bonds (distance) P-C4' energy: -106.135
flat angles C4'-P-C4' energy: -98.976
flat angles P-C4'-P energy: -70.447
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -460.335751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.335751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.335751 (E_RNA)
where:
Base-Base interactions energy: -114.359
where: short stacking energy: -89.708
Base-Backbone interact. energy: -0.827
local terms energy: -345.149677
where:
bonds (distance) C4'-P energy: -117.417
bonds (distance) P-C4' energy: -96.753
flat angles C4'-P-C4' energy: -106.735
flat angles P-C4'-P energy: -51.962
tors. eta vs tors. theta energy: 27.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2307.336991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.336991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.336991 (E_RNA)
where:
Base-Base interactions energy: -1641.497
where: short stacking energy: -613.333
Base-Backbone interact. energy: -3.256
local terms energy: -662.583762
where:
bonds (distance) C4'-P energy: -123.127
bonds (distance) P-C4' energy: -119.784
flat angles C4'-P-C4' energy: -142.599
flat angles P-C4'-P energy: -97.134
tors. eta vs tors. theta energy: -179.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2239.510722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.510722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.510722 (E_RNA)
where:
Base-Base interactions energy: -1585.178
where: short stacking energy: -641.302
Base-Backbone interact. energy: -3.705
local terms energy: -650.627920
where:
bonds (distance) C4'-P energy: -102.553
bonds (distance) P-C4' energy: -118.843
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -94.133
tors. eta vs tors. theta energy: -191.470
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: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2080.634561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.634561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.634561 (E_RNA)
where:
Base-Base interactions energy: -1455.363
where: short stacking energy: -579.719
Base-Backbone interact. energy: -4.253
local terms energy: -621.018273
where:
bonds (distance) C4'-P energy: -106.304
bonds (distance) P-C4' energy: -113.457
flat angles C4'-P-C4' energy: -130.298
flat angles P-C4'-P energy: -91.143
tors. eta vs tors. theta energy: -179.817
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: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2068.476062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.476062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.476062 (E_RNA)
where:
Base-Base interactions energy: -1474.524
where: short stacking energy: -593.692
Base-Backbone interact. energy: -3.363
local terms energy: -590.589849
where:
bonds (distance) C4'-P energy: -102.640
bonds (distance) P-C4' energy: -98.387
flat angles C4'-P-C4' energy: -134.564
flat angles P-C4'-P energy: -86.132
tors. eta vs tors. theta energy: -168.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1828.259829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.259829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.259829 (E_RNA)
where:
Base-Base interactions energy: -1261.651
where: short stacking energy: -489.313
Base-Backbone interact. energy: -3.606
local terms energy: -563.003541
where:
bonds (distance) C4'-P energy: -98.605
bonds (distance) P-C4' energy: -117.411
flat angles C4'-P-C4' energy: -130.243
flat angles P-C4'-P energy: -74.971
tors. eta vs tors. theta energy: -141.773
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: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1685.049780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.049780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.049780 (E_RNA)
where:
Base-Base interactions energy: -1126.905
where: short stacking energy: -452.310
Base-Backbone interact. energy: 1.153
local terms energy: -559.297409
where:
bonds (distance) C4'-P energy: -111.923
bonds (distance) P-C4' energy: -122.419
flat angles C4'-P-C4' energy: -127.236
flat angles P-C4'-P energy: -80.967
tors. eta vs tors. theta energy: -116.753
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: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1565.550712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.550712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.550712 (E_RNA)
where:
Base-Base interactions energy: -1065.980
where: short stacking energy: -431.867
Base-Backbone interact. energy: -2.635
local terms energy: -496.935863
where:
bonds (distance) C4'-P energy: -92.892
bonds (distance) P-C4' energy: -110.863
flat angles C4'-P-C4' energy: -107.602
flat angles P-C4'-P energy: -60.130
tors. eta vs tors. theta energy: -125.449
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: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1016.044811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.044811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.044811 (E_RNA)
where:
Base-Base interactions energy: -571.374
where: short stacking energy: -268.967
Base-Backbone interact. energy: 8.128
local terms energy: -452.798922
where:
bonds (distance) C4'-P energy: -128.493
bonds (distance) P-C4' energy: -101.353
flat angles C4'-P-C4' energy: -103.789
flat angles P-C4'-P energy: -74.772
tors. eta vs tors. theta energy: -44.392
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: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -843.453054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.453054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.453054 (E_RNA)
where:
Base-Base interactions energy: -482.481
where: short stacking energy: -229.832
Base-Backbone interact. energy: -0.108
local terms energy: -360.864042
where:
bonds (distance) C4'-P energy: -70.975
bonds (distance) P-C4' energy: -110.277
flat angles C4'-P-C4' energy: -93.210
flat angles P-C4'-P energy: -69.790
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -445.402735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.402735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.402735 (E_RNA)
where:
Base-Base interactions energy: -143.905
where: short stacking energy: -116.879
Base-Backbone interact. energy: 0.395
local terms energy: -301.892970
where:
bonds (distance) C4'-P energy: -83.887
bonds (distance) P-C4' energy: -102.642
flat angles C4'-P-C4' energy: -100.642
flat angles P-C4'-P energy: -38.030
tors. eta vs tors. theta energy: 23.309
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: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2313.443490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.443490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.443490 (E_RNA)
where:
Base-Base interactions energy: -1636.288
where: short stacking energy: -628.070
Base-Backbone interact. energy: 0.758
local terms energy: -677.913567
where:
bonds (distance) C4'-P energy: -120.310
bonds (distance) P-C4' energy: -123.977
flat angles C4'-P-C4' energy: -146.272
flat angles P-C4'-P energy: -104.279
tors. eta vs tors. theta energy: -183.074
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: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2258.391117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.391117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.391117 (E_RNA)
where:
Base-Base interactions energy: -1598.626
where: short stacking energy: -608.454
Base-Backbone interact. energy: -1.073
local terms energy: -658.691767
where:
bonds (distance) C4'-P energy: -122.227
bonds (distance) P-C4' energy: -125.425
flat angles C4'-P-C4' energy: -119.252
flat angles P-C4'-P energy: -99.443
tors. eta vs tors. theta energy: -192.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2067.587633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.587633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.587633 (E_RNA)
where:
Base-Base interactions energy: -1442.461
where: short stacking energy: -570.248
Base-Backbone interact. energy: -5.263
local terms energy: -619.864193
where:
bonds (distance) C4'-P energy: -119.290
bonds (distance) P-C4' energy: -111.358
flat angles C4'-P-C4' energy: -125.111
flat angles P-C4'-P energy: -78.935
tors. eta vs tors. theta energy: -185.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2085.596488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.596488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.596488 (E_RNA)
where:
Base-Base interactions energy: -1458.385
where: short stacking energy: -592.817
Base-Backbone interact. energy: 1.870
local terms energy: -629.081271
where:
bonds (distance) C4'-P energy: -118.472
bonds (distance) P-C4' energy: -104.050
flat angles C4'-P-C4' energy: -146.671
flat angles P-C4'-P energy: -89.812
tors. eta vs tors. theta energy: -170.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1838.009934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.009934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.009934 (E_RNA)
where:
Base-Base interactions energy: -1287.733
where: short stacking energy: -504.316
Base-Backbone interact. energy: -1.357
local terms energy: -548.919336
where:
bonds (distance) C4'-P energy: -100.933
bonds (distance) P-C4' energy: -109.377
flat angles C4'-P-C4' energy: -117.294
flat angles P-C4'-P energy: -84.850
tors. eta vs tors. theta energy: -136.465
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: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1719.773362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.773362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.773362 (E_RNA)
where:
Base-Base interactions energy: -1127.824
where: short stacking energy: -438.965
Base-Backbone interact. energy: -2.082
local terms energy: -589.866940
where:
bonds (distance) C4'-P energy: -115.921
bonds (distance) P-C4' energy: -131.601
flat angles C4'-P-C4' energy: -134.051
flat angles P-C4'-P energy: -91.573
tors. eta vs tors. theta energy: -116.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1588.502215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.502215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.502215 (E_RNA)
where:
Base-Base interactions energy: -1094.151
where: short stacking energy: -439.627
Base-Backbone interact. energy: 4.318
local terms energy: -498.670044
where:
bonds (distance) C4'-P energy: -88.042
bonds (distance) P-C4' energy: -95.877
flat angles C4'-P-C4' energy: -119.004
flat angles P-C4'-P energy: -77.859
tors. eta vs tors. theta energy: -117.889
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: 269
Temperature: 1.250000
Total energy: -992.007122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.007122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.007122 (E_RNA)
where:
Base-Base interactions energy: -572.146
where: short stacking energy: -280.270
Base-Backbone interact. energy: 2.940
local terms energy: -422.801210
where:
bonds (distance) C4'-P energy: -125.081
bonds (distance) P-C4' energy: -103.692
flat angles C4'-P-C4' energy: -83.874
flat angles P-C4'-P energy: -57.405
tors. eta vs tors. theta energy: -52.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -886.049608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.049608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.049608 (E_RNA)
where:
Base-Base interactions energy: -524.924
where: short stacking energy: -235.005
Base-Backbone interact. energy: -1.568
local terms energy: -359.557321
where:
bonds (distance) C4'-P energy: -112.106
bonds (distance) P-C4' energy: -114.004
flat angles C4'-P-C4' energy: -77.041
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -26.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -445.232393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.232393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.232393 (E_RNA)
where:
Base-Base interactions energy: -115.772
where: short stacking energy: -94.455
Base-Backbone interact. energy: 0.821
local terms energy: -330.281540
where:
bonds (distance) C4'-P energy: -111.638
bonds (distance) P-C4' energy: -110.540
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -62.766
tors. eta vs tors. theta energy: 23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2348.803869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.803869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.803869 (E_RNA)
where:
Base-Base interactions energy: -1660.725
where: short stacking energy: -652.297
Base-Backbone interact. energy: -3.208
local terms energy: -684.870635
where:
bonds (distance) C4'-P energy: -130.522
bonds (distance) P-C4' energy: -118.395
flat angles C4'-P-C4' energy: -157.189
flat angles P-C4'-P energy: -98.609
tors. eta vs tors. theta energy: -180.156
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: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2298.635493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.635493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.635493 (E_RNA)
where:
Base-Base interactions energy: -1626.661
where: short stacking energy: -637.605
Base-Backbone interact. energy: -2.693
local terms energy: -669.281568
where:
bonds (distance) C4'-P energy: -123.548
bonds (distance) P-C4' energy: -118.870
flat angles C4'-P-C4' energy: -139.096
flat angles P-C4'-P energy: -98.456
tors. eta vs tors. theta energy: -189.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2110.273648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.273648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.273648 (E_RNA)
where:
Base-Base interactions energy: -1465.817
where: short stacking energy: -584.511
Base-Backbone interact. energy: -2.787
local terms energy: -641.670085
where:
bonds (distance) C4'-P energy: -119.550
bonds (distance) P-C4' energy: -115.778
flat angles C4'-P-C4' energy: -150.299
flat angles P-C4'-P energy: -78.025
tors. eta vs tors. theta energy: -178.019
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: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2077.099835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.099835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.099835 (E_RNA)
where:
Base-Base interactions energy: -1429.655
where: short stacking energy: -576.994
Base-Backbone interact. energy: -2.490
local terms energy: -644.954689
where:
bonds (distance) C4'-P energy: -112.039
bonds (distance) P-C4' energy: -118.032
flat angles C4'-P-C4' energy: -146.074
flat angles P-C4'-P energy: -101.015
tors. eta vs tors. theta energy: -167.794
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: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1827.520015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.520015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.520015 (E_RNA)
where:
Base-Base interactions energy: -1245.181
where: short stacking energy: -501.005
Base-Backbone interact. energy: 1.921
local terms energy: -584.260497
where:
bonds (distance) C4'-P energy: -119.217
bonds (distance) P-C4' energy: -109.029
flat angles C4'-P-C4' energy: -129.289
flat angles P-C4'-P energy: -83.290
tors. eta vs tors. theta energy: -143.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1695.804564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.804564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.804564 (E_RNA)
where:
Base-Base interactions energy: -1151.815
where: short stacking energy: -451.117
Base-Backbone interact. energy: -2.331
local terms energy: -541.657926
where:
bonds (distance) C4'-P energy: -106.381
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -117.351
flat angles P-C4'-P energy: -87.550
tors. eta vs tors. theta energy: -125.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1591.431358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.431358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.431358 (E_RNA)
where:
Base-Base interactions energy: -1068.637
where: short stacking energy: -435.474
Base-Backbone interact. energy: -1.133
local terms energy: -521.661138
where:
bonds (distance) C4'-P energy: -95.446
bonds (distance) P-C4' energy: -112.588
flat angles C4'-P-C4' energy: -124.218
flat angles P-C4'-P energy: -74.437
tors. eta vs tors. theta energy: -114.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1067.352220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.352220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.352220 (E_RNA)
where:
Base-Base interactions energy: -624.451
where: short stacking energy: -298.874
Base-Backbone interact. energy: -1.192
local terms energy: -441.709074
where:
bonds (distance) C4'-P energy: -101.794
bonds (distance) P-C4' energy: -111.638
flat angles C4'-P-C4' energy: -98.181
flat angles P-C4'-P energy: -64.592
tors. eta vs tors. theta energy: -65.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -933.004581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.004581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.004581 (E_RNA)
where:
Base-Base interactions energy: -546.208
where: short stacking energy: -265.821
Base-Backbone interact. energy: -0.270
local terms energy: -386.526058
where:
bonds (distance) C4'-P energy: -97.841
bonds (distance) P-C4' energy: -106.889
flat angles C4'-P-C4' energy: -95.461
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -39.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -440.923970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.923970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.923970 (E_RNA)
where:
Base-Base interactions energy: -121.907
where: short stacking energy: -112.078
Base-Backbone interact. energy: -2.641
local terms energy: -316.376499
where:
bonds (distance) C4'-P energy: -80.448
bonds (distance) P-C4' energy: -116.664
flat angles C4'-P-C4' energy: -92.676
flat angles P-C4'-P energy: -49.135
tors. eta vs tors. theta energy: 22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2300.944967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.944967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.944967 (E_RNA)
where:
Base-Base interactions energy: -1663.434
where: short stacking energy: -635.687
Base-Backbone interact. energy: 4.881
local terms energy: -642.391832
where:
bonds (distance) C4'-P energy: -111.223
bonds (distance) P-C4' energy: -131.488
flat angles C4'-P-C4' energy: -127.901
flat angles P-C4'-P energy: -94.569
tors. eta vs tors. theta energy: -177.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2329.379317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.379317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.379317 (E_RNA)
where:
Base-Base interactions energy: -1644.484
where: short stacking energy: -652.407
Base-Backbone interact. energy: -1.762
local terms energy: -683.133832
where:
bonds (distance) C4'-P energy: -126.307
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -148.973
flat angles P-C4'-P energy: -93.755
tors. eta vs tors. theta energy: -192.869
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: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2119.169021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.169021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.169021 (E_RNA)
where:
Base-Base interactions energy: -1465.889
where: short stacking energy: -564.098
Base-Backbone interact. energy: -6.815
local terms energy: -646.464903
where:
bonds (distance) C4'-P energy: -111.701
bonds (distance) P-C4' energy: -125.700
flat angles C4'-P-C4' energy: -133.342
flat angles P-C4'-P energy: -88.868
tors. eta vs tors. theta energy: -186.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2099.874934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.874934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.874934 (E_RNA)
where:
Base-Base interactions energy: -1456.164
where: short stacking energy: -551.295
Base-Backbone interact. energy: -4.335
local terms energy: -639.375704
where:
bonds (distance) C4'-P energy: -115.961
bonds (distance) P-C4' energy: -118.711
flat angles C4'-P-C4' energy: -137.973
flat angles P-C4'-P energy: -98.157
tors. eta vs tors. theta energy: -168.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1822.407934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.407934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.407934 (E_RNA)
where:
Base-Base interactions energy: -1235.127
where: short stacking energy: -502.443
Base-Backbone interact. energy: -2.360
local terms energy: -584.920546
where:
bonds (distance) C4'-P energy: -117.424
bonds (distance) P-C4' energy: -117.016
flat angles C4'-P-C4' energy: -121.240
flat angles P-C4'-P energy: -81.286
tors. eta vs tors. theta energy: -147.954
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: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1764.386983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.386983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.386983 (E_RNA)
where:
Base-Base interactions energy: -1201.333
where: short stacking energy: -479.127
Base-Backbone interact. energy: -1.146
local terms energy: -561.907927
where:
bonds (distance) C4'-P energy: -111.702
bonds (distance) P-C4' energy: -108.178
flat angles C4'-P-C4' energy: -127.739
flat angles P-C4'-P energy: -71.782
tors. eta vs tors. theta energy: -142.507
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: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1555.139290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.139290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.139290 (E_RNA)
where:
Base-Base interactions energy: -1048.381
where: short stacking energy: -451.107
Base-Backbone interact. energy: 6.983
local terms energy: -513.740923
where:
bonds (distance) C4'-P energy: -112.913
bonds (distance) P-C4' energy: -96.890
flat angles C4'-P-C4' energy: -119.821
flat angles P-C4'-P energy: -63.600
tors. eta vs tors. theta energy: -120.517
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: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1048.477980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.477980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.477980 (E_RNA)
where:
Base-Base interactions energy: -603.506
where: short stacking energy: -279.281
Base-Backbone interact. energy: 0.581
local terms energy: -445.553175
where:
bonds (distance) C4'-P energy: -110.133
bonds (distance) P-C4' energy: -114.235
flat angles C4'-P-C4' energy: -108.580
flat angles P-C4'-P energy: -65.593
tors. eta vs tors. theta energy: -47.012
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: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -882.383876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.383876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.383876 (E_RNA)
where:
Base-Base interactions energy: -502.036
where: short stacking energy: -206.113
Base-Backbone interact. energy: 5.755
local terms energy: -386.102729
where:
bonds (distance) C4'-P energy: -102.200
bonds (distance) P-C4' energy: -91.996
flat angles C4'-P-C4' energy: -120.133
flat angles P-C4'-P energy: -63.813
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -451.645492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.645492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.645492 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -107.942
Base-Backbone interact. energy: -0.643
local terms energy: -310.216305
where:
bonds (distance) C4'-P energy: -107.701
bonds (distance) P-C4' energy: -121.080
flat angles C4'-P-C4' energy: -87.811
flat angles P-C4'-P energy: -27.852
tors. eta vs tors. theta energy: 34.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2307.815246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.815246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.815246 (E_RNA)
where:
Base-Base interactions energy: -1652.466
where: short stacking energy: -629.705
Base-Backbone interact. energy: -0.666
local terms energy: -654.682762
where:
bonds (distance) C4'-P energy: -124.780
bonds (distance) P-C4' energy: -119.980
flat angles C4'-P-C4' energy: -146.262
flat angles P-C4'-P energy: -79.670
tors. eta vs tors. theta energy: -183.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2291.415372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.415372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.415372 (E_RNA)
where:
Base-Base interactions energy: -1631.815
where: short stacking energy: -639.149
Base-Backbone interact. energy: -2.591
local terms energy: -657.009974
where:
bonds (distance) C4'-P energy: -108.960
bonds (distance) P-C4' energy: -124.215
flat angles C4'-P-C4' energy: -137.731
flat angles P-C4'-P energy: -97.299
tors. eta vs tors. theta energy: -188.806
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: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2089.798333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.798333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.798333 (E_RNA)
where:
Base-Base interactions energy: -1453.523
where: short stacking energy: -585.977
Base-Backbone interact. energy: -4.894
local terms energy: -631.381544
where:
bonds (distance) C4'-P energy: -125.158
bonds (distance) P-C4' energy: -111.386
flat angles C4'-P-C4' energy: -135.542
flat angles P-C4'-P energy: -86.733
tors. eta vs tors. theta energy: -172.563
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: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2043.087346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.087346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.087346 (E_RNA)
where:
Base-Base interactions energy: -1417.445
where: short stacking energy: -579.559
Base-Backbone interact. energy: -1.649
local terms energy: -623.992892
where:
bonds (distance) C4'-P energy: -115.682
bonds (distance) P-C4' energy: -110.307
flat angles C4'-P-C4' energy: -138.037
flat angles P-C4'-P energy: -88.303
tors. eta vs tors. theta energy: -171.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1893.719060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.719060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.719060 (E_RNA)
where:
Base-Base interactions energy: -1307.324
where: short stacking energy: -522.345
Base-Backbone interact. energy: -5.719
local terms energy: -580.676476
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -120.865
flat angles C4'-P-C4' energy: -128.969
flat angles P-C4'-P energy: -78.175
tors. eta vs tors. theta energy: -148.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1691.935238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.935238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.935238 (E_RNA)
where:
Base-Base interactions energy: -1166.507
where: short stacking energy: -454.765
Base-Backbone interact. energy: -2.842
local terms energy: -522.586412
where:
bonds (distance) C4'-P energy: -90.129
bonds (distance) P-C4' energy: -93.701
flat angles C4'-P-C4' energy: -120.351
flat angles P-C4'-P energy: -83.532
tors. eta vs tors. theta energy: -134.874
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: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1531.807736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.807736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.807736 (E_RNA)
where:
Base-Base interactions energy: -1021.502
where: short stacking energy: -447.748
Base-Backbone interact. energy: 3.121
local terms energy: -513.426562
where:
bonds (distance) C4'-P energy: -94.443
bonds (distance) P-C4' energy: -103.810
flat angles C4'-P-C4' energy: -107.576
flat angles P-C4'-P energy: -87.228
tors. eta vs tors. theta energy: -120.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1081.714075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.714075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.714075 (E_RNA)
where:
Base-Base interactions energy: -629.583
where: short stacking energy: -295.082
Base-Backbone interact. energy: -0.285
local terms energy: -451.845583
where:
bonds (distance) C4'-P energy: -106.293
bonds (distance) P-C4' energy: -103.974
flat angles C4'-P-C4' energy: -112.371
flat angles P-C4'-P energy: -69.767
tors. eta vs tors. theta energy: -59.441
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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -911.698578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.698578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.698578 (E_RNA)
where:
Base-Base interactions energy: -522.326
where: short stacking energy: -269.279
Base-Backbone interact. energy: -3.728
local terms energy: -385.644409
where:
bonds (distance) C4'-P energy: -94.956
bonds (distance) P-C4' energy: -100.050
flat angles C4'-P-C4' energy: -93.233
flat angles P-C4'-P energy: -59.978
tors. eta vs tors. theta energy: -37.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -454.862918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.862918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.862918 (E_RNA)
where:
Base-Base interactions energy: -119.856
where: short stacking energy: -112.873
Base-Backbone interact. energy: -0.872
local terms energy: -334.135067
where:
bonds (distance) C4'-P energy: -113.212
bonds (distance) P-C4' energy: -107.782
flat angles C4'-P-C4' energy: -73.823
flat angles P-C4'-P energy: -58.207
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: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2320.933493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.933493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.933493 (E_RNA)
where:
Base-Base interactions energy: -1646.711
where: short stacking energy: -648.061
Base-Backbone interact. energy: 0.803
local terms energy: -675.026222
where:
bonds (distance) C4'-P energy: -117.719
bonds (distance) P-C4' energy: -134.544
flat angles C4'-P-C4' energy: -140.304
flat angles P-C4'-P energy: -99.010
tors. eta vs tors. theta energy: -183.450
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: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2286.335355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.335355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.335355 (E_RNA)
where:
Base-Base interactions energy: -1616.128
where: short stacking energy: -631.059
Base-Backbone interact. energy: -0.107
local terms energy: -670.100174
where:
bonds (distance) C4'-P energy: -128.706
bonds (distance) P-C4' energy: -130.453
flat angles C4'-P-C4' energy: -143.216
flat angles P-C4'-P energy: -80.006
tors. eta vs tors. theta energy: -187.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2170.924236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.924236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.924236 (E_RNA)
where:
Base-Base interactions energy: -1503.615
where: short stacking energy: -585.070
Base-Backbone interact. energy: -5.506
local terms energy: -661.803091
where:
bonds (distance) C4'-P energy: -129.448
bonds (distance) P-C4' energy: -108.786
flat angles C4'-P-C4' energy: -138.045
flat angles P-C4'-P energy: -101.646
tors. eta vs tors. theta energy: -183.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2023.530412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.530412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.530412 (E_RNA)
where:
Base-Base interactions energy: -1421.200
where: short stacking energy: -560.611
Base-Backbone interact. energy: -6.311
local terms energy: -596.020052
where:
bonds (distance) C4'-P energy: -104.794
bonds (distance) P-C4' energy: -115.278
flat angles C4'-P-C4' energy: -128.020
flat angles P-C4'-P energy: -77.360
tors. eta vs tors. theta energy: -170.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1959.636744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.636744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.636744 (E_RNA)
where:
Base-Base interactions energy: -1364.364
where: short stacking energy: -547.526
Base-Backbone interact. energy: -5.855
local terms energy: -589.418094
where:
bonds (distance) C4'-P energy: -110.294
bonds (distance) P-C4' energy: -105.556
flat angles C4'-P-C4' energy: -131.736
flat angles P-C4'-P energy: -87.156
tors. eta vs tors. theta energy: -154.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1681.372523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.372523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.372523 (E_RNA)
where:
Base-Base interactions energy: -1114.759
where: short stacking energy: -458.433
Base-Backbone interact. energy: -1.416
local terms energy: -565.198162
where:
bonds (distance) C4'-P energy: -116.477
bonds (distance) P-C4' energy: -114.807
flat angles C4'-P-C4' energy: -126.355
flat angles P-C4'-P energy: -79.440
tors. eta vs tors. theta energy: -128.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1565.973645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.973645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.973645 (E_RNA)
where:
Base-Base interactions energy: -1053.084
where: short stacking energy: -447.127
Base-Backbone interact. energy: -4.466
local terms energy: -508.423740
where:
bonds (distance) C4'-P energy: -121.723
bonds (distance) P-C4' energy: -84.592
flat angles C4'-P-C4' energy: -123.916
flat angles P-C4'-P energy: -65.919
tors. eta vs tors. theta energy: -112.273
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: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1063.451979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.451979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.451979 (E_RNA)
where:
Base-Base interactions energy: -635.178
where: short stacking energy: -298.894
Base-Backbone interact. energy: 7.169
local terms energy: -435.443527
where:
bonds (distance) C4'-P energy: -110.901
bonds (distance) P-C4' energy: -100.018
flat angles C4'-P-C4' energy: -99.660
flat angles P-C4'-P energy: -63.087
tors. eta vs tors. theta energy: -61.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -877.440857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.440857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.440857 (E_RNA)
where:
Base-Base interactions energy: -460.476
where: short stacking energy: -236.904
Base-Backbone interact. energy: 1.045
local terms energy: -418.010649
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -112.648
flat angles C4'-P-C4' energy: -103.521
flat angles P-C4'-P energy: -57.013
tors. eta vs tors. theta energy: -33.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -461.928859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.928859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.928859 (E_RNA)
where:
Base-Base interactions energy: -149.500
where: short stacking energy: -133.596
Base-Backbone interact. energy: 0.199
local terms energy: -312.627822
where:
bonds (distance) C4'-P energy: -109.691
bonds (distance) P-C4' energy: -100.975
flat angles C4'-P-C4' energy: -77.593
flat angles P-C4'-P energy: -46.938
tors. eta vs tors. theta energy: 22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2338.744286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.744286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.744286 (E_RNA)
where:
Base-Base interactions energy: -1663.076
where: short stacking energy: -645.518
Base-Backbone interact. energy: -2.421
local terms energy: -673.247367
where:
bonds (distance) C4'-P energy: -128.355
bonds (distance) P-C4' energy: -121.779
flat angles C4'-P-C4' energy: -137.222
flat angles P-C4'-P energy: -89.529
tors. eta vs tors. theta energy: -196.363
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: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2267.971625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.971625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.971625 (E_RNA)
where:
Base-Base interactions energy: -1604.866
where: short stacking energy: -623.750
Base-Backbone interact. energy: -3.500
local terms energy: -659.605366
where:
bonds (distance) C4'-P energy: -122.317
bonds (distance) P-C4' energy: -124.470
flat angles C4'-P-C4' energy: -140.740
flat angles P-C4'-P energy: -87.820
tors. eta vs tors. theta energy: -184.258
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: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2146.055877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.055877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.055877 (E_RNA)
where:
Base-Base interactions energy: -1509.862
where: short stacking energy: -602.545
Base-Backbone interact. energy: 1.400
local terms energy: -637.593568
where:
bonds (distance) C4'-P energy: -118.490
bonds (distance) P-C4' energy: -107.408
flat angles C4'-P-C4' energy: -146.145
flat angles P-C4'-P energy: -77.757
tors. eta vs tors. theta energy: -187.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2038.098661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.098661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.098661 (E_RNA)
where:
Base-Base interactions energy: -1448.045
where: short stacking energy: -572.301
Base-Backbone interact. energy: 3.480
local terms energy: -593.533710
where:
bonds (distance) C4'-P energy: -111.089
bonds (distance) P-C4' energy: -110.443
flat angles C4'-P-C4' energy: -120.020
flat angles P-C4'-P energy: -81.552
tors. eta vs tors. theta energy: -170.430
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: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1933.277624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.277624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.277624 (E_RNA)
where:
Base-Base interactions energy: -1331.347
where: short stacking energy: -530.228
Base-Backbone interact. energy: 3.826
local terms energy: -605.756322
where:
bonds (distance) C4'-P energy: -122.880
bonds (distance) P-C4' energy: -107.584
flat angles C4'-P-C4' energy: -129.551
flat angles P-C4'-P energy: -80.565
tors. eta vs tors. theta energy: -165.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1631.935208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.935208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.935208 (E_RNA)
where:
Base-Base interactions energy: -1087.917
where: short stacking energy: -426.803
Base-Backbone interact. energy: -1.928
local terms energy: -542.090050
where:
bonds (distance) C4'-P energy: -114.517
bonds (distance) P-C4' energy: -111.581
flat angles C4'-P-C4' energy: -128.808
flat angles P-C4'-P energy: -78.593
tors. eta vs tors. theta energy: -108.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1623.612111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.612111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.612111 (E_RNA)
where:
Base-Base interactions energy: -1086.978
where: short stacking energy: -482.913
Base-Backbone interact. energy: 4.753
local terms energy: -541.386239
where:
bonds (distance) C4'-P energy: -100.695
bonds (distance) P-C4' energy: -107.155
flat angles C4'-P-C4' energy: -117.962
flat angles P-C4'-P energy: -71.305
tors. eta vs tors. theta energy: -144.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1095.452059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.452059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.452059 (E_RNA)
where:
Base-Base interactions energy: -652.461
where: short stacking energy: -306.606
Base-Backbone interact. energy: 3.023
local terms energy: -446.014310
where:
bonds (distance) C4'-P energy: -109.533
bonds (distance) P-C4' energy: -84.350
flat angles C4'-P-C4' energy: -112.614
flat angles P-C4'-P energy: -68.901
tors. eta vs tors. theta energy: -70.616
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: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -896.827332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.827332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.827332 (E_RNA)
where:
Base-Base interactions energy: -497.174
where: short stacking energy: -235.973
Base-Backbone interact. energy: 4.064
local terms energy: -403.717384
where:
bonds (distance) C4'-P energy: -101.286
bonds (distance) P-C4' energy: -90.602
flat angles C4'-P-C4' energy: -114.449
flat angles P-C4'-P energy: -59.146
tors. eta vs tors. theta energy: -38.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -452.510625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.510625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.510625 (E_RNA)
where:
Base-Base interactions energy: -153.613
where: short stacking energy: -116.158
Base-Backbone interact. energy: -0.668
local terms energy: -298.229748
where:
bonds (distance) C4'-P energy: -113.176
bonds (distance) P-C4' energy: -97.757
flat angles C4'-P-C4' energy: -76.575
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: 32.290
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: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2328.463357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.463357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.463357 (E_RNA)
where:
Base-Base interactions energy: -1656.497
where: short stacking energy: -652.801
Base-Backbone interact. energy: 4.264
local terms energy: -676.230428
where:
bonds (distance) C4'-P energy: -123.764
bonds (distance) P-C4' energy: -130.406
flat angles C4'-P-C4' energy: -145.383
flat angles P-C4'-P energy: -90.974
tors. eta vs tors. theta energy: -185.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2279.644925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.644925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.644925 (E_RNA)
where:
Base-Base interactions energy: -1601.105
where: short stacking energy: -611.355
Base-Backbone interact. energy: -1.711
local terms energy: -676.828472
where:
bonds (distance) C4'-P energy: -121.320
bonds (distance) P-C4' energy: -120.733
flat angles C4'-P-C4' energy: -142.487
flat angles P-C4'-P energy: -100.942
tors. eta vs tors. theta energy: -191.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2177.406622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.406622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.406622 (E_RNA)
where:
Base-Base interactions energy: -1517.752
where: short stacking energy: -591.070
Base-Backbone interact. energy: -3.886
local terms energy: -655.768628
where:
bonds (distance) C4'-P energy: -128.616
bonds (distance) P-C4' energy: -116.795
flat angles C4'-P-C4' energy: -141.709
flat angles P-C4'-P energy: -95.980
tors. eta vs tors. theta energy: -172.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2051.067658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.067658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.067658 (E_RNA)
where:
Base-Base interactions energy: -1445.971
where: short stacking energy: -569.724
Base-Backbone interact. energy: -2.803
local terms energy: -602.293669
where:
bonds (distance) C4'-P energy: -106.504
bonds (distance) P-C4' energy: -109.406
flat angles C4'-P-C4' energy: -135.639
flat angles P-C4'-P energy: -82.975
tors. eta vs tors. theta energy: -167.770
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: 275
Temperature: 1.100000
Total energy: -1959.268042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.268042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.268042 (E_RNA)
where:
Base-Base interactions energy: -1336.605
where: short stacking energy: -556.074
Base-Backbone interact. energy: -4.850
local terms energy: -617.812771
where:
bonds (distance) C4'-P energy: -112.324
bonds (distance) P-C4' energy: -106.965
flat angles C4'-P-C4' energy: -135.045
flat angles P-C4'-P energy: -102.848
tors. eta vs tors. theta energy: -160.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1673.344581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.344581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.344581 (E_RNA)
where:
Base-Base interactions energy: -1144.306
where: short stacking energy: -455.543
Base-Backbone interact. energy: -2.312
local terms energy: -526.726380
where:
bonds (distance) C4'-P energy: -114.595
bonds (distance) P-C4' energy: -101.252
flat angles C4'-P-C4' energy: -113.047
flat angles P-C4'-P energy: -78.224
tors. eta vs tors. theta energy: -119.608
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: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1581.733227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.733227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.733227 (E_RNA)
where:
Base-Base interactions energy: -1041.531
where: short stacking energy: -428.787
Base-Backbone interact. energy: 0.843
local terms energy: -541.045194
where:
bonds (distance) C4'-P energy: -100.746
bonds (distance) P-C4' energy: -118.275
flat angles C4'-P-C4' energy: -119.624
flat angles P-C4'-P energy: -83.071
tors. eta vs tors. theta energy: -119.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1052.797345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.797345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.797345 (E_RNA)
where:
Base-Base interactions energy: -628.568
where: short stacking energy: -290.316
Base-Backbone interact. energy: 0.956
local terms energy: -425.184989
where:
bonds (distance) C4'-P energy: -91.048
bonds (distance) P-C4' energy: -104.471
flat angles C4'-P-C4' energy: -111.120
flat angles P-C4'-P energy: -59.666
tors. eta vs tors. theta energy: -58.880
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: 275
Temperature: 1.300000
Total energy: -835.146869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.146869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.146869 (E_RNA)
where:
Base-Base interactions energy: -443.914
where: short stacking energy: -192.317
Base-Backbone interact. energy: 3.228
local terms energy: -394.460730
where:
bonds (distance) C4'-P energy: -112.040
bonds (distance) P-C4' energy: -115.793
flat angles C4'-P-C4' energy: -91.594
flat angles P-C4'-P energy: -71.088
tors. eta vs tors. theta energy: -3.946
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: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -450.958875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.958875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.958875 (E_RNA)
where:
Base-Base interactions energy: -140.261
where: short stacking energy: -110.899
Base-Backbone interact. energy: 4.300
local terms energy: -314.997296
where:
bonds (distance) C4'-P energy: -95.723
bonds (distance) P-C4' energy: -93.602
flat angles C4'-P-C4' energy: -96.096
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: 15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2353.017533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.017533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.017533 (E_RNA)
where:
Base-Base interactions energy: -1677.252
where: short stacking energy: -628.299
Base-Backbone interact. energy: 8.266
local terms energy: -684.031530
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -138.142
flat angles C4'-P-C4' energy: -148.877
flat angles P-C4'-P energy: -93.769
tors. eta vs tors. theta energy: -183.274
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: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2273.058654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.058654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.058654 (E_RNA)
where:
Base-Base interactions energy: -1634.806
where: short stacking energy: -623.298
Base-Backbone interact. energy: 0.766
local terms energy: -639.018991
where:
bonds (distance) C4'-P energy: -111.554
bonds (distance) P-C4' energy: -112.412
flat angles C4'-P-C4' energy: -142.878
flat angles P-C4'-P energy: -85.118
tors. eta vs tors. theta energy: -187.058
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: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2159.353825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.353825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.353825 (E_RNA)
where:
Base-Base interactions energy: -1502.959
where: short stacking energy: -597.499
Base-Backbone interact. energy: -1.974
local terms energy: -654.420946
where:
bonds (distance) C4'-P energy: -119.345
bonds (distance) P-C4' energy: -124.128
flat angles C4'-P-C4' energy: -137.850
flat angles P-C4'-P energy: -94.005
tors. eta vs tors. theta energy: -179.093
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: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2004.883885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.883885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.883885 (E_RNA)
where:
Base-Base interactions energy: -1414.113
where: short stacking energy: -574.887
Base-Backbone interact. energy: -4.879
local terms energy: -585.892092
where:
bonds (distance) C4'-P energy: -103.816
bonds (distance) P-C4' energy: -110.620
flat angles C4'-P-C4' energy: -121.845
flat angles P-C4'-P energy: -83.041
tors. eta vs tors. theta energy: -166.570
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: 276
Temperature: 1.100000
Total energy: -1923.699826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.699826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.699826 (E_RNA)
where:
Base-Base interactions energy: -1328.154
where: short stacking energy: -513.322
Base-Backbone interact. energy: 1.372
local terms energy: -596.918618
where:
bonds (distance) C4'-P energy: -105.446
bonds (distance) P-C4' energy: -116.567
flat angles C4'-P-C4' energy: -136.960
flat angles P-C4'-P energy: -87.854
tors. eta vs tors. theta energy: -150.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1688.662791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.662791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.662791 (E_RNA)
where:
Base-Base interactions energy: -1136.740
where: short stacking energy: -446.864
Base-Backbone interact. energy: -1.542
local terms energy: -550.380781
where:
bonds (distance) C4'-P energy: -114.216
bonds (distance) P-C4' energy: -104.892
flat angles C4'-P-C4' energy: -123.314
flat angles P-C4'-P energy: -79.633
tors. eta vs tors. theta energy: -128.325
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: 276
Temperature: 1.200000
Total energy: -1613.472282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.472282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.472282 (E_RNA)
where:
Base-Base interactions energy: -1059.741
where: short stacking energy: -457.764
Base-Backbone interact. energy: -1.736
local terms energy: -551.994999
where:
bonds (distance) C4'-P energy: -106.501
bonds (distance) P-C4' energy: -115.292
flat angles C4'-P-C4' energy: -120.272
flat angles P-C4'-P energy: -76.976
tors. eta vs tors. theta energy: -132.954
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: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1025.193856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.193856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.193856 (E_RNA)
where:
Base-Base interactions energy: -600.754
where: short stacking energy: -287.724
Base-Backbone interact. energy: 4.396
local terms energy: -428.836004
where:
bonds (distance) C4'-P energy: -96.956
bonds (distance) P-C4' energy: -112.292
flat angles C4'-P-C4' energy: -98.681
flat angles P-C4'-P energy: -59.609
tors. eta vs tors. theta energy: -61.297
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: 276
Temperature: 1.300000
Total energy: -913.935290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.935290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.935290 (E_RNA)
where:
Base-Base interactions energy: -544.828
where: short stacking energy: -246.877
Base-Backbone interact. energy: -1.803
local terms energy: -367.304869
where:
bonds (distance) C4'-P energy: -92.501
bonds (distance) P-C4' energy: -105.459
flat angles C4'-P-C4' energy: -88.110
flat angles P-C4'-P energy: -66.442
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -458.567850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.567850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.567850 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -116.450
Base-Backbone interact. energy: 3.294
local terms energy: -325.398253
where:
bonds (distance) C4'-P energy: -96.836
bonds (distance) P-C4' energy: -112.938
flat angles C4'-P-C4' energy: -82.307
flat angles P-C4'-P energy: -64.172
tors. eta vs tors. theta energy: 30.855
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: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2347.657693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.657693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.657693 (E_RNA)
where:
Base-Base interactions energy: -1662.501
where: short stacking energy: -633.244
Base-Backbone interact. energy: 7.512
local terms energy: -692.668649
where:
bonds (distance) C4'-P energy: -142.768
bonds (distance) P-C4' energy: -139.852
flat angles C4'-P-C4' energy: -133.908
flat angles P-C4'-P energy: -92.832
tors. eta vs tors. theta energy: -183.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2298.132684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.132684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.132684 (E_RNA)
where:
Base-Base interactions energy: -1635.036
where: short stacking energy: -641.327
Base-Backbone interact. energy: -0.560
local terms energy: -662.536481
where:
bonds (distance) C4'-P energy: -122.613
bonds (distance) P-C4' energy: -113.323
flat angles C4'-P-C4' energy: -142.079
flat angles P-C4'-P energy: -92.482
tors. eta vs tors. theta energy: -192.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2143.696197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.696197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.696197 (E_RNA)
where:
Base-Base interactions energy: -1485.244
where: short stacking energy: -590.459
Base-Backbone interact. energy: -2.485
local terms energy: -655.967363
where:
bonds (distance) C4'-P energy: -122.903
bonds (distance) P-C4' energy: -117.554
flat angles C4'-P-C4' energy: -144.156
flat angles P-C4'-P energy: -87.314
tors. eta vs tors. theta energy: -184.040
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: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1999.032201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.032201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.032201 (E_RNA)
where:
Base-Base interactions energy: -1390.708
where: short stacking energy: -551.193
Base-Backbone interact. energy: -4.485
local terms energy: -603.839690
where:
bonds (distance) C4'-P energy: -105.704
bonds (distance) P-C4' energy: -114.213
flat angles C4'-P-C4' energy: -140.213
flat angles P-C4'-P energy: -89.807
tors. eta vs tors. theta energy: -153.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1913.552994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.552994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.552994 (E_RNA)
where:
Base-Base interactions energy: -1320.063
where: short stacking energy: -519.576
Base-Backbone interact. energy: 2.327
local terms energy: -595.816294
where:
bonds (distance) C4'-P energy: -108.018
bonds (distance) P-C4' energy: -123.304
flat angles C4'-P-C4' energy: -131.290
flat angles P-C4'-P energy: -86.824
tors. eta vs tors. theta energy: -146.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1678.777192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.777192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.777192 (E_RNA)
where:
Base-Base interactions energy: -1130.731
where: short stacking energy: -463.835
Base-Backbone interact. energy: 1.181
local terms energy: -549.226548
where:
bonds (distance) C4'-P energy: -100.345
bonds (distance) P-C4' energy: -103.287
flat angles C4'-P-C4' energy: -128.176
flat angles P-C4'-P energy: -91.219
tors. eta vs tors. theta energy: -126.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1602.902123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.902123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.902123 (E_RNA)
where:
Base-Base interactions energy: -1100.322
where: short stacking energy: -480.879
Base-Backbone interact. energy: 0.969
local terms energy: -503.549144
where:
bonds (distance) C4'-P energy: -103.198
bonds (distance) P-C4' energy: -103.143
flat angles C4'-P-C4' energy: -116.107
flat angles P-C4'-P energy: -49.630
tors. eta vs tors. theta energy: -131.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1042.750307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.750307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.750307 (E_RNA)
where:
Base-Base interactions energy: -625.451
where: short stacking energy: -284.888
Base-Backbone interact. energy: 7.378
local terms energy: -424.677373
where:
bonds (distance) C4'-P energy: -88.179
bonds (distance) P-C4' energy: -111.256
flat angles C4'-P-C4' energy: -101.237
flat angles P-C4'-P energy: -75.088
tors. eta vs tors. theta energy: -48.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -853.884704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.884704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.884704 (E_RNA)
where:
Base-Base interactions energy: -493.523
where: short stacking energy: -210.731
Base-Backbone interact. energy: -0.744
local terms energy: -359.618114
where:
bonds (distance) C4'-P energy: -92.960
bonds (distance) P-C4' energy: -94.597
flat angles C4'-P-C4' energy: -107.050
flat angles P-C4'-P energy: -52.579
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: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -427.796815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.796815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.796815 (E_RNA)
where:
Base-Base interactions energy: -148.902
where: short stacking energy: -116.703
Base-Backbone interact. energy: 5.746
local terms energy: -284.640728
where:
bonds (distance) C4'-P energy: -93.107
bonds (distance) P-C4' energy: -99.020
flat angles C4'-P-C4' energy: -105.728
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: 39.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2355.773781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.773781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.773781 (E_RNA)
where:
Base-Base interactions energy: -1683.508
where: short stacking energy: -648.162
Base-Backbone interact. energy: -4.809
local terms energy: -667.456790
where:
bonds (distance) C4'-P energy: -119.447
bonds (distance) P-C4' energy: -140.518
flat angles C4'-P-C4' energy: -140.205
flat angles P-C4'-P energy: -86.085
tors. eta vs tors. theta energy: -181.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2305.057178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.057178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.057178 (E_RNA)
where:
Base-Base interactions energy: -1607.440
where: short stacking energy: -639.505
Base-Backbone interact. energy: 3.212
local terms energy: -700.829630
where:
bonds (distance) C4'-P energy: -121.329
bonds (distance) P-C4' energy: -128.747
flat angles C4'-P-C4' energy: -150.560
flat angles P-C4'-P energy: -100.016
tors. eta vs tors. theta energy: -200.178
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: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2138.358437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.358437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.358437 (E_RNA)
where:
Base-Base interactions energy: -1498.930
where: short stacking energy: -577.921
Base-Backbone interact. energy: -0.981
local terms energy: -638.448016
where:
bonds (distance) C4'-P energy: -110.353
bonds (distance) P-C4' energy: -117.960
flat angles C4'-P-C4' energy: -134.999
flat angles P-C4'-P energy: -97.346
tors. eta vs tors. theta energy: -177.790
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: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1991.396454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.396454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.396454 (E_RNA)
where:
Base-Base interactions energy: -1371.692
where: short stacking energy: -543.546
Base-Backbone interact. energy: -2.908
local terms energy: -616.796002
where:
bonds (distance) C4'-P energy: -114.211
bonds (distance) P-C4' energy: -101.084
flat angles C4'-P-C4' energy: -132.499
flat angles P-C4'-P energy: -103.380
tors. eta vs tors. theta energy: -165.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1952.387691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.387691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.387691 (E_RNA)
where:
Base-Base interactions energy: -1328.650
where: short stacking energy: -522.939
Base-Backbone interact. energy: -4.671
local terms energy: -619.066826
where:
bonds (distance) C4'-P energy: -105.888
bonds (distance) P-C4' energy: -101.994
flat angles C4'-P-C4' energy: -131.507
flat angles P-C4'-P energy: -101.517
tors. eta vs tors. theta energy: -178.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1737.839689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.839689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.839689 (E_RNA)
where:
Base-Base interactions energy: -1193.937
where: short stacking energy: -475.875
Base-Backbone interact. energy: 3.124
local terms energy: -547.027091
where:
bonds (distance) C4'-P energy: -103.648
bonds (distance) P-C4' energy: -109.015
flat angles C4'-P-C4' energy: -128.767
flat angles P-C4'-P energy: -77.682
tors. eta vs tors. theta energy: -127.914
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: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1573.656717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.656717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.656717 (E_RNA)
where:
Base-Base interactions energy: -1043.420
where: short stacking energy: -429.706
Base-Backbone interact. energy: 3.690
local terms energy: -533.926190
where:
bonds (distance) C4'-P energy: -120.023
bonds (distance) P-C4' energy: -101.709
flat angles C4'-P-C4' energy: -111.744
flat angles P-C4'-P energy: -73.595
tors. eta vs tors. theta energy: -126.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -979.665388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.665388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.665388 (E_RNA)
where:
Base-Base interactions energy: -572.604
where: short stacking energy: -312.383
Base-Backbone interact. energy: -1.305
local terms energy: -405.756703
where:
bonds (distance) C4'-P energy: -101.212
bonds (distance) P-C4' energy: -97.090
flat angles C4'-P-C4' energy: -103.472
flat angles P-C4'-P energy: -57.586
tors. eta vs tors. theta energy: -46.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -895.036512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.036512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.036512 (E_RNA)
where:
Base-Base interactions energy: -485.623
where: short stacking energy: -224.179
Base-Backbone interact. energy: -1.042
local terms energy: -408.370823
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -102.981
flat angles C4'-P-C4' energy: -98.586
flat angles P-C4'-P energy: -73.644
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -459.578247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.578247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.578247 (E_RNA)
where:
Base-Base interactions energy: -120.845
where: short stacking energy: -106.256
Base-Backbone interact. energy: 0.689
local terms energy: -339.421509
where:
bonds (distance) C4'-P energy: -119.058
bonds (distance) P-C4' energy: -117.707
flat angles C4'-P-C4' energy: -95.124
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: 27.981
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: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2321.749822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.749822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.749822 (E_RNA)
where:
Base-Base interactions energy: -1661.975
where: short stacking energy: -644.003
Base-Backbone interact. energy: -0.443
local terms energy: -659.331718
where:
bonds (distance) C4'-P energy: -112.887
bonds (distance) P-C4' energy: -127.961
flat angles C4'-P-C4' energy: -137.869
flat angles P-C4'-P energy: -92.852
tors. eta vs tors. theta energy: -187.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2305.258537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.258537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.258537 (E_RNA)
where:
Base-Base interactions energy: -1606.599
where: short stacking energy: -651.409
Base-Backbone interact. energy: -2.098
local terms energy: -696.561534
where:
bonds (distance) C4'-P energy: -118.766
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -145.447
flat angles P-C4'-P energy: -99.305
tors. eta vs tors. theta energy: -198.047
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: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2176.779467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.779467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.779467 (E_RNA)
where:
Base-Base interactions energy: -1534.683
where: short stacking energy: -601.957
Base-Backbone interact. energy: 4.205
local terms energy: -646.301571
where:
bonds (distance) C4'-P energy: -115.541
bonds (distance) P-C4' energy: -122.512
flat angles C4'-P-C4' energy: -142.614
flat angles P-C4'-P energy: -95.522
tors. eta vs tors. theta energy: -170.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2000.239501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.239501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.239501 (E_RNA)
where:
Base-Base interactions energy: -1381.469
where: short stacking energy: -579.864
Base-Backbone interact. energy: 2.321
local terms energy: -621.091381
where:
bonds (distance) C4'-P energy: -114.153
bonds (distance) P-C4' energy: -111.866
flat angles C4'-P-C4' energy: -134.029
flat angles P-C4'-P energy: -86.805
tors. eta vs tors. theta energy: -174.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1914.476610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.476610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.476610 (E_RNA)
where:
Base-Base interactions energy: -1336.581
where: short stacking energy: -531.432
Base-Backbone interact. energy: -0.220
local terms energy: -577.675496
where:
bonds (distance) C4'-P energy: -114.573
bonds (distance) P-C4' energy: -104.298
flat angles C4'-P-C4' energy: -135.381
flat angles P-C4'-P energy: -83.201
tors. eta vs tors. theta energy: -140.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1724.475691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.475691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.475691 (E_RNA)
where:
Base-Base interactions energy: -1195.444
where: short stacking energy: -454.779
Base-Backbone interact. energy: -1.731
local terms energy: -527.300476
where:
bonds (distance) C4'-P energy: -108.985
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -118.065
flat angles P-C4'-P energy: -79.761
tors. eta vs tors. theta energy: -122.582
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: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1541.181314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.181314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.181314 (E_RNA)
where:
Base-Base interactions energy: -1016.468
where: short stacking energy: -400.720
Base-Backbone interact. energy: -0.158
local terms energy: -524.555710
where:
bonds (distance) C4'-P energy: -110.291
bonds (distance) P-C4' energy: -98.802
flat angles C4'-P-C4' energy: -110.144
flat angles P-C4'-P energy: -86.575
tors. eta vs tors. theta energy: -118.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -981.288261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.288261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.288261 (E_RNA)
where:
Base-Base interactions energy: -577.335
where: short stacking energy: -292.640
Base-Backbone interact. energy: 0.879
local terms energy: -404.831593
where:
bonds (distance) C4'-P energy: -103.280
bonds (distance) P-C4' energy: -92.264
flat angles C4'-P-C4' energy: -97.957
flat angles P-C4'-P energy: -74.541
tors. eta vs tors. theta energy: -36.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -827.741289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.741289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.741289 (E_RNA)
where:
Base-Base interactions energy: -435.962
where: short stacking energy: -204.383
Base-Backbone interact. energy: -2.518
local terms energy: -389.261150
where:
bonds (distance) C4'-P energy: -94.612
bonds (distance) P-C4' energy: -120.208
flat angles C4'-P-C4' energy: -102.544
flat angles P-C4'-P energy: -67.246
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -431.264618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.264618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.264618 (E_RNA)
where:
Base-Base interactions energy: -130.558
where: short stacking energy: -82.933
Base-Backbone interact. energy: -2.891
local terms energy: -297.814941
where:
bonds (distance) C4'-P energy: -88.041
bonds (distance) P-C4' energy: -115.694
flat angles C4'-P-C4' energy: -88.961
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: 46.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2374.213563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.213563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.213563 (E_RNA)
where:
Base-Base interactions energy: -1676.598
where: short stacking energy: -645.621
Base-Backbone interact. energy: 0.005
local terms energy: -697.621310
where:
bonds (distance) C4'-P energy: -128.453
bonds (distance) P-C4' energy: -136.552
flat angles C4'-P-C4' energy: -150.517
flat angles P-C4'-P energy: -88.659
tors. eta vs tors. theta energy: -193.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2283.729678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.729678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.729678 (E_RNA)
where:
Base-Base interactions energy: -1616.964
where: short stacking energy: -631.116
Base-Backbone interact. energy: -2.773
local terms energy: -663.992741
where:
bonds (distance) C4'-P energy: -121.403
bonds (distance) P-C4' energy: -118.484
flat angles C4'-P-C4' energy: -141.458
flat angles P-C4'-P energy: -93.608
tors. eta vs tors. theta energy: -189.039
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: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2160.651979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.651979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.651979 (E_RNA)
where:
Base-Base interactions energy: -1516.022
where: short stacking energy: -606.131
Base-Backbone interact. energy: -1.798
local terms energy: -642.831657
where:
bonds (distance) C4'-P energy: -121.126
bonds (distance) P-C4' energy: -120.810
flat angles C4'-P-C4' energy: -138.401
flat angles P-C4'-P energy: -88.696
tors. eta vs tors. theta energy: -173.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1993.471119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.471119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.471119 (E_RNA)
where:
Base-Base interactions energy: -1377.965
where: short stacking energy: -546.655
Base-Backbone interact. energy: -1.911
local terms energy: -613.594440
where:
bonds (distance) C4'-P energy: -111.516
bonds (distance) P-C4' energy: -123.817
flat angles C4'-P-C4' energy: -115.989
flat angles P-C4'-P energy: -92.564
tors. eta vs tors. theta energy: -169.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1877.848792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.848792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.848792 (E_RNA)
where:
Base-Base interactions energy: -1302.384
where: short stacking energy: -520.046
Base-Backbone interact. energy: -2.281
local terms energy: -573.183938
where:
bonds (distance) C4'-P energy: -98.824
bonds (distance) P-C4' energy: -110.386
flat angles C4'-P-C4' energy: -126.004
flat angles P-C4'-P energy: -95.542
tors. eta vs tors. theta energy: -142.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1731.724116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.724116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.724116 (E_RNA)
where:
Base-Base interactions energy: -1179.911
where: short stacking energy: -464.260
Base-Backbone interact. energy: 0.575
local terms energy: -552.388715
where:
bonds (distance) C4'-P energy: -118.608
bonds (distance) P-C4' energy: -102.213
flat angles C4'-P-C4' energy: -115.565
flat angles P-C4'-P energy: -83.515
tors. eta vs tors. theta energy: -132.488
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: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1539.620647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.620647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.620647 (E_RNA)
where:
Base-Base interactions energy: -1029.985
where: short stacking energy: -394.677
Base-Backbone interact. energy: -1.235
local terms energy: -508.400109
where:
bonds (distance) C4'-P energy: -113.040
bonds (distance) P-C4' energy: -96.054
flat angles C4'-P-C4' energy: -120.212
flat angles P-C4'-P energy: -69.286
tors. eta vs tors. theta energy: -109.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1005.229128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.229128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.229128 (E_RNA)
where:
Base-Base interactions energy: -575.226
where: short stacking energy: -285.140
Base-Backbone interact. energy: 3.379
local terms energy: -433.382597
where:
bonds (distance) C4'-P energy: -108.183
bonds (distance) P-C4' energy: -122.855
flat angles C4'-P-C4' energy: -98.136
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -54.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -842.135695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.135695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.135695 (E_RNA)
where:
Base-Base interactions energy: -459.922
where: short stacking energy: -234.909
Base-Backbone interact. energy: 1.542
local terms energy: -383.755426
where:
bonds (distance) C4'-P energy: -97.974
bonds (distance) P-C4' energy: -104.216
flat angles C4'-P-C4' energy: -90.377
flat angles P-C4'-P energy: -58.272
tors. eta vs tors. theta energy: -32.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -445.960700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.960700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.960700 (E_RNA)
where:
Base-Base interactions energy: -122.226
where: short stacking energy: -111.567
Base-Backbone interact. energy: -1.883
local terms energy: -321.851330
where:
bonds (distance) C4'-P energy: -104.054
bonds (distance) P-C4' energy: -106.825
flat angles C4'-P-C4' energy: -86.504
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: 27.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2364.666155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.666155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.666155 (E_RNA)
where:
Base-Base interactions energy: -1676.121
where: short stacking energy: -638.457
Base-Backbone interact. energy: 0.129
local terms energy: -688.674632
where:
bonds (distance) C4'-P energy: -124.639
bonds (distance) P-C4' energy: -120.270
flat angles C4'-P-C4' energy: -141.003
flat angles P-C4'-P energy: -100.357
tors. eta vs tors. theta energy: -202.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2305.791373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.791373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.791373 (E_RNA)
where:
Base-Base interactions energy: -1637.026
where: short stacking energy: -646.613
Base-Backbone interact. energy: -0.350
local terms energy: -668.415384
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -118.374
flat angles C4'-P-C4' energy: -141.470
flat angles P-C4'-P energy: -98.842
tors. eta vs tors. theta energy: -189.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2187.685390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.685390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.685390 (E_RNA)
where:
Base-Base interactions energy: -1526.328
where: short stacking energy: -603.792
Base-Backbone interact. energy: -2.627
local terms energy: -658.730380
where:
bonds (distance) C4'-P energy: -124.536
bonds (distance) P-C4' energy: -125.032
flat angles C4'-P-C4' energy: -134.689
flat angles P-C4'-P energy: -89.688
tors. eta vs tors. theta energy: -184.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2009.214114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.214114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.214114 (E_RNA)
where:
Base-Base interactions energy: -1369.366
where: short stacking energy: -557.870
Base-Backbone interact. energy: -2.595
local terms energy: -637.253055
where:
bonds (distance) C4'-P energy: -118.575
bonds (distance) P-C4' energy: -106.581
flat angles C4'-P-C4' energy: -135.630
flat angles P-C4'-P energy: -101.895
tors. eta vs tors. theta energy: -174.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1937.874518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.874518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.874518 (E_RNA)
where:
Base-Base interactions energy: -1358.365
where: short stacking energy: -558.200
Base-Backbone interact. energy: -2.868
local terms energy: -576.642062
where:
bonds (distance) C4'-P energy: -100.669
bonds (distance) P-C4' energy: -113.072
flat angles C4'-P-C4' energy: -126.838
flat angles P-C4'-P energy: -77.378
tors. eta vs tors. theta energy: -158.685
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: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1694.165129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.165129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.165129 (E_RNA)
where:
Base-Base interactions energy: -1157.276
where: short stacking energy: -436.034
Base-Backbone interact. energy: 3.163
local terms energy: -540.052528
where:
bonds (distance) C4'-P energy: -102.529
bonds (distance) P-C4' energy: -107.315
flat angles C4'-P-C4' energy: -122.322
flat angles P-C4'-P energy: -78.190
tors. eta vs tors. theta energy: -129.697
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: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1567.720658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.720658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.720658 (E_RNA)
where:
Base-Base interactions energy: -1057.121
where: short stacking energy: -442.155
Base-Backbone interact. energy: 2.066
local terms energy: -512.665291
where:
bonds (distance) C4'-P energy: -109.987
bonds (distance) P-C4' energy: -97.490
flat angles C4'-P-C4' energy: -123.369
flat angles P-C4'-P energy: -73.311
tors. eta vs tors. theta energy: -108.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -997.650661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.650661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.650661 (E_RNA)
where:
Base-Base interactions energy: -594.469
where: short stacking energy: -278.434
Base-Backbone interact. energy: -0.653
local terms energy: -402.528788
where:
bonds (distance) C4'-P energy: -102.839
bonds (distance) P-C4' energy: -109.270
flat angles C4'-P-C4' energy: -87.617
flat angles P-C4'-P energy: -59.334
tors. eta vs tors. theta energy: -43.469
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: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -780.670779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.670779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.670779 (E_RNA)
where:
Base-Base interactions energy: -386.749
where: short stacking energy: -216.287
Base-Backbone interact. energy: -1.914
local terms energy: -392.007592
where:
bonds (distance) C4'-P energy: -100.742
bonds (distance) P-C4' energy: -94.044
flat angles C4'-P-C4' energy: -114.641
flat angles P-C4'-P energy: -58.760
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -455.752503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.752503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.752503 (E_RNA)
where:
Base-Base interactions energy: -129.143
where: short stacking energy: -95.742
Base-Backbone interact. energy: 4.851
local terms energy: -331.461431
where:
bonds (distance) C4'-P energy: -99.868
bonds (distance) P-C4' energy: -109.891
flat angles C4'-P-C4' energy: -97.764
flat angles P-C4'-P energy: -52.100
tors. eta vs tors. theta energy: 28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2375.999624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.999624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.999624 (E_RNA)
where:
Base-Base interactions energy: -1688.026
where: short stacking energy: -661.697
Base-Backbone interact. energy: -1.313
local terms energy: -686.659897
where:
bonds (distance) C4'-P energy: -123.461
bonds (distance) P-C4' energy: -126.877
flat angles C4'-P-C4' energy: -146.510
flat angles P-C4'-P energy: -98.508
tors. eta vs tors. theta energy: -191.304
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: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2258.141765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.141765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.141765 (E_RNA)
where:
Base-Base interactions energy: -1624.032
where: short stacking energy: -640.934
Base-Backbone interact. energy: -2.073
local terms energy: -632.036800
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -100.453
flat angles C4'-P-C4' energy: -131.374
flat angles P-C4'-P energy: -94.534
tors. eta vs tors. theta energy: -188.778
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: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2153.998006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.998006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.998006 (E_RNA)
where:
Base-Base interactions energy: -1516.506
where: short stacking energy: -595.949
Base-Backbone interact. energy: 0.312
local terms energy: -637.804493
where:
bonds (distance) C4'-P energy: -130.451
bonds (distance) P-C4' energy: -115.854
flat angles C4'-P-C4' energy: -136.900
flat angles P-C4'-P energy: -72.435
tors. eta vs tors. theta energy: -182.166
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: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2031.615242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.615242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.615242 (E_RNA)
where:
Base-Base interactions energy: -1391.566
where: short stacking energy: -572.955
Base-Backbone interact. energy: -6.101
local terms energy: -633.948428
where:
bonds (distance) C4'-P energy: -111.071
bonds (distance) P-C4' energy: -113.000
flat angles C4'-P-C4' energy: -138.400
flat angles P-C4'-P energy: -90.444
tors. eta vs tors. theta energy: -181.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1943.356145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.356145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.356145 (E_RNA)
where:
Base-Base interactions energy: -1358.359
where: short stacking energy: -547.447
Base-Backbone interact. energy: -6.281
local terms energy: -578.716174
where:
bonds (distance) C4'-P energy: -108.897
bonds (distance) P-C4' energy: -96.981
flat angles C4'-P-C4' energy: -128.543
flat angles P-C4'-P energy: -86.441
tors. eta vs tors. theta energy: -157.853
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: 282
Temperature: 1.150000
Total energy: -1740.018017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.018017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.018017 (E_RNA)
where:
Base-Base interactions energy: -1196.483
where: short stacking energy: -481.503
Base-Backbone interact. energy: -1.716
local terms energy: -541.818910
where:
bonds (distance) C4'-P energy: -108.495
bonds (distance) P-C4' energy: -102.774
flat angles C4'-P-C4' energy: -118.969
flat angles P-C4'-P energy: -75.135
tors. eta vs tors. theta energy: -136.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1542.703327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.703327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.703327 (E_RNA)
where:
Base-Base interactions energy: -1045.021
where: short stacking energy: -452.385
Base-Backbone interact. energy: -1.428
local terms energy: -496.253597
where:
bonds (distance) C4'-P energy: -98.933
bonds (distance) P-C4' energy: -98.212
flat angles C4'-P-C4' energy: -94.510
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -118.936
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: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1006.950339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.950339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.950339 (E_RNA)
where:
Base-Base interactions energy: -590.017
where: short stacking energy: -296.080
Base-Backbone interact. energy: -2.930
local terms energy: -414.003369
where:
bonds (distance) C4'-P energy: -97.671
bonds (distance) P-C4' energy: -102.791
flat angles C4'-P-C4' energy: -99.146
flat angles P-C4'-P energy: -58.172
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: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -734.587536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.587536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.587536 (E_RNA)
where:
Base-Base interactions energy: -374.591
where: short stacking energy: -207.986
Base-Backbone interact. energy: 0.268
local terms energy: -360.265385
where:
bonds (distance) C4'-P energy: -102.147
bonds (distance) P-C4' energy: -118.505
flat angles C4'-P-C4' energy: -70.565
flat angles P-C4'-P energy: -56.226
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -430.187485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.187485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.187485 (E_RNA)
where:
Base-Base interactions energy: -116.092
where: short stacking energy: -89.468
Base-Backbone interact. energy: -2.580
local terms energy: -311.515354
where:
bonds (distance) C4'-P energy: -111.441
bonds (distance) P-C4' energy: -111.665
flat angles C4'-P-C4' energy: -90.326
flat angles P-C4'-P energy: -35.536
tors. eta vs tors. theta energy: 37.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2399.499784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.499784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.499784 (E_RNA)
where:
Base-Base interactions energy: -1685.760
where: short stacking energy: -663.591
Base-Backbone interact. energy: -2.796
local terms energy: -710.943243
where:
bonds (distance) C4'-P energy: -126.217
bonds (distance) P-C4' energy: -128.731
flat angles C4'-P-C4' energy: -146.188
flat angles P-C4'-P energy: -106.743
tors. eta vs tors. theta energy: -203.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2276.394954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.394954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.394954 (E_RNA)
where:
Base-Base interactions energy: -1604.163
where: short stacking energy: -626.768
Base-Backbone interact. energy: -1.030
local terms energy: -671.202078
where:
bonds (distance) C4'-P energy: -128.625
bonds (distance) P-C4' energy: -105.420
flat angles C4'-P-C4' energy: -146.724
flat angles P-C4'-P energy: -101.416
tors. eta vs tors. theta energy: -189.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2186.920591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.920591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.920591 (E_RNA)
where:
Base-Base interactions energy: -1537.052
where: short stacking energy: -610.806
Base-Backbone interact. energy: -3.200
local terms energy: -646.668616
where:
bonds (distance) C4'-P energy: -104.391
bonds (distance) P-C4' energy: -129.251
flat angles C4'-P-C4' energy: -132.492
flat angles P-C4'-P energy: -93.859
tors. eta vs tors. theta energy: -186.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1987.609047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.609047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.609047 (E_RNA)
where:
Base-Base interactions energy: -1372.454
where: short stacking energy: -592.566
Base-Backbone interact. energy: -0.954
local terms energy: -614.201618
where:
bonds (distance) C4'-P energy: -102.055
bonds (distance) P-C4' energy: -117.028
flat angles C4'-P-C4' energy: -131.667
flat angles P-C4'-P energy: -79.545
tors. eta vs tors. theta energy: -183.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1899.103725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.103725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.103725 (E_RNA)
where:
Base-Base interactions energy: -1293.829
where: short stacking energy: -510.972
Base-Backbone interact. energy: 0.024
local terms energy: -605.299157
where:
bonds (distance) C4'-P energy: -116.990
bonds (distance) P-C4' energy: -111.644
flat angles C4'-P-C4' energy: -129.133
flat angles P-C4'-P energy: -95.610
tors. eta vs tors. theta energy: -151.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1668.855060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.855060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.855060 (E_RNA)
where:
Base-Base interactions energy: -1142.997
where: short stacking energy: -460.884
Base-Backbone interact. energy: -1.666
local terms energy: -524.191754
where:
bonds (distance) C4'-P energy: -90.277
bonds (distance) P-C4' energy: -96.699
flat angles C4'-P-C4' energy: -108.750
flat angles P-C4'-P energy: -83.303
tors. eta vs tors. theta energy: -145.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1559.776436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.776436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.776436 (E_RNA)
where:
Base-Base interactions energy: -1043.740
where: short stacking energy: -429.500
Base-Backbone interact. energy: 0.063
local terms energy: -516.099599
where:
bonds (distance) C4'-P energy: -96.305
bonds (distance) P-C4' energy: -124.489
flat angles C4'-P-C4' energy: -117.517
flat angles P-C4'-P energy: -72.460
tors. eta vs tors. theta energy: -105.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1004.047249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.047249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.047249 (E_RNA)
where:
Base-Base interactions energy: -572.928
where: short stacking energy: -279.504
Base-Backbone interact. energy: 1.999
local terms energy: -433.118323
where:
bonds (distance) C4'-P energy: -107.977
bonds (distance) P-C4' energy: -101.669
flat angles C4'-P-C4' energy: -119.470
flat angles P-C4'-P energy: -52.747
tors. eta vs tors. theta energy: -51.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -765.766732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.766732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.766732 (E_RNA)
where:
Base-Base interactions energy: -389.988
where: short stacking energy: -209.946
Base-Backbone interact. energy: 0.900
local terms energy: -376.679390
where:
bonds (distance) C4'-P energy: -99.960
bonds (distance) P-C4' energy: -108.271
flat angles C4'-P-C4' energy: -101.413
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -436.944665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.944665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.944665 (E_RNA)
where:
Base-Base interactions energy: -160.536
where: short stacking energy: -111.252
Base-Backbone interact. energy: -2.211
local terms energy: -274.197769
where:
bonds (distance) C4'-P energy: -75.573
bonds (distance) P-C4' energy: -83.287
flat angles C4'-P-C4' energy: -82.703
flat angles P-C4'-P energy: -68.336
tors. eta vs tors. theta energy: 35.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2375.013816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.013816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.013816 (E_RNA)
where:
Base-Base interactions energy: -1659.293
where: short stacking energy: -645.561
Base-Backbone interact. energy: -2.095
local terms energy: -713.626320
where:
bonds (distance) C4'-P energy: -131.689
bonds (distance) P-C4' energy: -127.934
flat angles C4'-P-C4' energy: -148.578
flat angles P-C4'-P energy: -104.980
tors. eta vs tors. theta energy: -200.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2291.650544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.650544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.650544 (E_RNA)
where:
Base-Base interactions energy: -1617.332
where: short stacking energy: -628.307
Base-Backbone interact. energy: 0.725
local terms energy: -675.043125
where:
bonds (distance) C4'-P energy: -131.357
bonds (distance) P-C4' energy: -108.130
flat angles C4'-P-C4' energy: -150.041
flat angles P-C4'-P energy: -100.441
tors. eta vs tors. theta energy: -185.073
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: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2156.331447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.331447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.331447 (E_RNA)
where:
Base-Base interactions energy: -1523.662
where: short stacking energy: -594.280
Base-Backbone interact. energy: 2.271
local terms energy: -634.940022
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -116.589
flat angles C4'-P-C4' energy: -138.854
flat angles P-C4'-P energy: -86.816
tors. eta vs tors. theta energy: -187.566
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: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1972.653718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.653718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.653718 (E_RNA)
where:
Base-Base interactions energy: -1384.336
where: short stacking energy: -573.600
Base-Backbone interact. energy: -2.577
local terms energy: -585.741020
where:
bonds (distance) C4'-P energy: -101.269
bonds (distance) P-C4' energy: -106.241
flat angles C4'-P-C4' energy: -123.852
flat angles P-C4'-P energy: -84.789
tors. eta vs tors. theta energy: -169.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1932.659474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.659474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.659474 (E_RNA)
where:
Base-Base interactions energy: -1323.800
where: short stacking energy: -535.536
Base-Backbone interact. energy: -2.216
local terms energy: -606.643693
where:
bonds (distance) C4'-P energy: -111.561
bonds (distance) P-C4' energy: -119.221
flat angles C4'-P-C4' energy: -132.973
flat angles P-C4'-P energy: -75.099
tors. eta vs tors. theta energy: -167.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1702.212238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.212238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.212238 (E_RNA)
where:
Base-Base interactions energy: -1162.894
where: short stacking energy: -472.469
Base-Backbone interact. energy: 1.240
local terms energy: -540.558132
where:
bonds (distance) C4'-P energy: -100.825
bonds (distance) P-C4' energy: -103.222
flat angles C4'-P-C4' energy: -126.752
flat angles P-C4'-P energy: -71.017
tors. eta vs tors. theta energy: -138.743
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: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1571.963034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.963034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.963034 (E_RNA)
where:
Base-Base interactions energy: -1047.951
where: short stacking energy: -429.997
Base-Backbone interact. energy: 1.642
local terms energy: -525.654744
where:
bonds (distance) C4'-P energy: -105.720
bonds (distance) P-C4' energy: -109.709
flat angles C4'-P-C4' energy: -107.726
flat angles P-C4'-P energy: -83.837
tors. eta vs tors. theta energy: -118.662
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: 284
Temperature: 1.250000
Total energy: -1033.274560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.274560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.274560 (E_RNA)
where:
Base-Base interactions energy: -595.955
where: short stacking energy: -265.140
Base-Backbone interact. energy: 7.484
local terms energy: -444.803169
where:
bonds (distance) C4'-P energy: -108.639
bonds (distance) P-C4' energy: -112.654
flat angles C4'-P-C4' energy: -103.824
flat angles P-C4'-P energy: -68.691
tors. eta vs tors. theta energy: -50.995
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: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -815.601829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.601829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.601829 (E_RNA)
where:
Base-Base interactions energy: -450.228
where: short stacking energy: -208.756
Base-Backbone interact. energy: 9.230
local terms energy: -374.603681
where:
bonds (distance) C4'-P energy: -103.216
bonds (distance) P-C4' energy: -105.983
flat angles C4'-P-C4' energy: -92.785
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -443.753583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.753583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.753583 (E_RNA)
where:
Base-Base interactions energy: -134.170
where: short stacking energy: -112.874
Base-Backbone interact. energy: -0.374
local terms energy: -309.210340
where:
bonds (distance) C4'-P energy: -97.752
bonds (distance) P-C4' energy: -95.843
flat angles C4'-P-C4' energy: -92.852
flat angles P-C4'-P energy: -54.977
tors. eta vs tors. theta energy: 32.212
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: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2330.218047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.218047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.218047 (E_RNA)
where:
Base-Base interactions energy: -1634.343
where: short stacking energy: -645.111
Base-Backbone interact. energy: -1.833
local terms energy: -694.042454
where:
bonds (distance) C4'-P energy: -131.924
bonds (distance) P-C4' energy: -123.637
flat angles C4'-P-C4' energy: -148.676
flat angles P-C4'-P energy: -88.214
tors. eta vs tors. theta energy: -201.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2263.941388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.941388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.941388 (E_RNA)
where:
Base-Base interactions energy: -1609.936
where: short stacking energy: -616.586
Base-Backbone interact. energy: 3.735
local terms energy: -657.741326
where:
bonds (distance) C4'-P energy: -132.075
bonds (distance) P-C4' energy: -108.097
flat angles C4'-P-C4' energy: -148.629
flat angles P-C4'-P energy: -95.023
tors. eta vs tors. theta energy: -173.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2150.667473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.667473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.667473 (E_RNA)
where:
Base-Base interactions energy: -1488.197
where: short stacking energy: -596.441
Base-Backbone interact. energy: 4.099
local terms energy: -666.569271
where:
bonds (distance) C4'-P energy: -130.690
bonds (distance) P-C4' energy: -137.466
flat angles C4'-P-C4' energy: -128.268
flat angles P-C4'-P energy: -84.614
tors. eta vs tors. theta energy: -185.531
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: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2018.458572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.458572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.458572 (E_RNA)
where:
Base-Base interactions energy: -1379.788
where: short stacking energy: -564.659
Base-Backbone interact. energy: -3.059
local terms energy: -635.611575
where:
bonds (distance) C4'-P energy: -126.912
bonds (distance) P-C4' energy: -121.633
flat angles C4'-P-C4' energy: -125.692
flat angles P-C4'-P energy: -80.670
tors. eta vs tors. theta energy: -180.705
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: 285
Temperature: 1.100000
Total energy: -1899.813856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.813856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.813856 (E_RNA)
where:
Base-Base interactions energy: -1316.642
where: short stacking energy: -539.893
Base-Backbone interact. energy: -0.105
local terms energy: -583.066762
where:
bonds (distance) C4'-P energy: -98.203
bonds (distance) P-C4' energy: -115.646
flat angles C4'-P-C4' energy: -121.940
flat angles P-C4'-P energy: -78.666
tors. eta vs tors. theta energy: -168.611
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: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1755.751655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.751655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.751655 (E_RNA)
where:
Base-Base interactions energy: -1180.947
where: short stacking energy: -522.593
Base-Backbone interact. energy: -3.555
local terms energy: -571.250508
where:
bonds (distance) C4'-P energy: -118.554
bonds (distance) P-C4' energy: -116.393
flat angles C4'-P-C4' energy: -117.528
flat angles P-C4'-P energy: -76.012
tors. eta vs tors. theta energy: -142.764
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: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1548.135061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.135061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.135061 (E_RNA)
where:
Base-Base interactions energy: -1031.407
where: short stacking energy: -408.963
Base-Backbone interact. energy: 2.362
local terms energy: -519.089863
where:
bonds (distance) C4'-P energy: -101.574
bonds (distance) P-C4' energy: -101.728
flat angles C4'-P-C4' energy: -118.662
flat angles P-C4'-P energy: -86.584
tors. eta vs tors. theta energy: -110.541
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: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -991.002254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.002254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.002254 (E_RNA)
where:
Base-Base interactions energy: -556.007
where: short stacking energy: -266.064
Base-Backbone interact. energy: -3.127
local terms energy: -431.868497
where:
bonds (distance) C4'-P energy: -114.311
bonds (distance) P-C4' energy: -106.180
flat angles C4'-P-C4' energy: -110.046
flat angles P-C4'-P energy: -63.670
tors. eta vs tors. theta energy: -37.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -834.728883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.728883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.728883 (E_RNA)
where:
Base-Base interactions energy: -459.843
where: short stacking energy: -221.178
Base-Backbone interact. energy: -1.840
local terms energy: -373.046468
where:
bonds (distance) C4'-P energy: -94.165
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.155
flat angles P-C4'-P energy: -47.632
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -443.054938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.054938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.054938 (E_RNA)
where:
Base-Base interactions energy: -130.555
where: short stacking energy: -110.747
Base-Backbone interact. energy: 0.879
local terms energy: -313.379007
where:
bonds (distance) C4'-P energy: -91.556
bonds (distance) P-C4' energy: -96.569
flat angles C4'-P-C4' energy: -93.891
flat angles P-C4'-P energy: -57.100
tors. eta vs tors. theta energy: 25.737
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: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2342.249880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.249880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.249880 (E_RNA)
where:
Base-Base interactions energy: -1644.603
where: short stacking energy: -651.453
Base-Backbone interact. energy: -2.193
local terms energy: -695.453607
where:
bonds (distance) C4'-P energy: -123.302
bonds (distance) P-C4' energy: -122.219
flat angles C4'-P-C4' energy: -150.107
flat angles P-C4'-P energy: -104.797
tors. eta vs tors. theta energy: -195.028
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: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2263.396989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.396989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.396989 (E_RNA)
where:
Base-Base interactions energy: -1603.497
where: short stacking energy: -626.921
Base-Backbone interact. energy: 1.480
local terms energy: -661.379694
where:
bonds (distance) C4'-P energy: -122.168
bonds (distance) P-C4' energy: -122.742
flat angles C4'-P-C4' energy: -139.859
flat angles P-C4'-P energy: -91.532
tors. eta vs tors. theta energy: -185.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2136.398281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.398281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.398281 (E_RNA)
where:
Base-Base interactions energy: -1510.971
where: short stacking energy: -589.769
Base-Backbone interact. energy: 0.622
local terms energy: -626.048903
where:
bonds (distance) C4'-P energy: -96.854
bonds (distance) P-C4' energy: -111.608
flat angles C4'-P-C4' energy: -138.442
flat angles P-C4'-P energy: -102.721
tors. eta vs tors. theta energy: -176.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1966.579512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.579512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.579512 (E_RNA)
where:
Base-Base interactions energy: -1373.048
where: short stacking energy: -537.133
Base-Backbone interact. energy: -0.252
local terms energy: -593.279719
where:
bonds (distance) C4'-P energy: -123.488
bonds (distance) P-C4' energy: -101.751
flat angles C4'-P-C4' energy: -128.500
flat angles P-C4'-P energy: -72.633
tors. eta vs tors. theta energy: -166.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1894.931563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.931563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.931563 (E_RNA)
where:
Base-Base interactions energy: -1309.134
where: short stacking energy: -519.848
Base-Backbone interact. energy: -1.988
local terms energy: -583.809677
where:
bonds (distance) C4'-P energy: -125.683
bonds (distance) P-C4' energy: -98.964
flat angles C4'-P-C4' energy: -119.625
flat angles P-C4'-P energy: -88.578
tors. eta vs tors. theta energy: -150.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1677.384102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.384102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.384102 (E_RNA)
where:
Base-Base interactions energy: -1134.633
where: short stacking energy: -459.802
Base-Backbone interact. energy: -5.962
local terms energy: -536.789277
where:
bonds (distance) C4'-P energy: -113.367
bonds (distance) P-C4' energy: -115.577
flat angles C4'-P-C4' energy: -125.405
flat angles P-C4'-P energy: -54.744
tors. eta vs tors. theta energy: -127.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1509.846262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.846262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.846262 (E_RNA)
where:
Base-Base interactions energy: -1030.334
where: short stacking energy: -413.079
Base-Backbone interact. energy: 3.351
local terms energy: -482.863677
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -101.090
flat angles C4'-P-C4' energy: -114.754
flat angles P-C4'-P energy: -67.958
tors. eta vs tors. theta energy: -97.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1041.452079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.452079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.452079 (E_RNA)
where:
Base-Base interactions energy: -598.033
where: short stacking energy: -295.776
Base-Backbone interact. energy: 2.803
local terms energy: -446.222156
where:
bonds (distance) C4'-P energy: -84.820
bonds (distance) P-C4' energy: -106.677
flat angles C4'-P-C4' energy: -105.110
flat angles P-C4'-P energy: -75.097
tors. eta vs tors. theta energy: -74.519
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: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -843.176340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.176340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.176340 (E_RNA)
where:
Base-Base interactions energy: -459.592
where: short stacking energy: -212.939
Base-Backbone interact. energy: 0.895
local terms energy: -384.479753
where:
bonds (distance) C4'-P energy: -102.078
bonds (distance) P-C4' energy: -116.221
flat angles C4'-P-C4' energy: -89.318
flat angles P-C4'-P energy: -61.634
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -438.711711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.711711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.711711 (E_RNA)
where:
Base-Base interactions energy: -149.821
where: short stacking energy: -121.359
Base-Backbone interact. energy: 0.692
local terms energy: -289.583354
where:
bonds (distance) C4'-P energy: -93.733
bonds (distance) P-C4' energy: -115.375
flat angles C4'-P-C4' energy: -64.430
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: 30.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2356.777738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.777738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.777738 (E_RNA)
where:
Base-Base interactions energy: -1648.506
where: short stacking energy: -657.711
Base-Backbone interact. energy: -0.446
local terms energy: -707.826472
where:
bonds (distance) C4'-P energy: -135.923
bonds (distance) P-C4' energy: -118.300
flat angles C4'-P-C4' energy: -145.587
flat angles P-C4'-P energy: -104.833
tors. eta vs tors. theta energy: -203.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2261.876883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.876883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.876883 (E_RNA)
where:
Base-Base interactions energy: -1605.519
where: short stacking energy: -618.082
Base-Backbone interact. energy: -1.729
local terms energy: -654.628920
where:
bonds (distance) C4'-P energy: -104.884
bonds (distance) P-C4' energy: -123.944
flat angles C4'-P-C4' energy: -136.127
flat angles P-C4'-P energy: -103.340
tors. eta vs tors. theta energy: -186.335
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: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2134.380602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.380602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.380602 (E_RNA)
where:
Base-Base interactions energy: -1516.077
where: short stacking energy: -581.770
Base-Backbone interact. energy: 0.292
local terms energy: -618.595078
where:
bonds (distance) C4'-P energy: -104.490
bonds (distance) P-C4' energy: -121.090
flat angles C4'-P-C4' energy: -129.852
flat angles P-C4'-P energy: -91.877
tors. eta vs tors. theta energy: -171.286
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: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1971.005591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.005591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.005591 (E_RNA)
where:
Base-Base interactions energy: -1344.737
where: short stacking energy: -543.959
Base-Backbone interact. energy: -0.600
local terms energy: -625.668547
where:
bonds (distance) C4'-P energy: -125.033
bonds (distance) P-C4' energy: -111.536
flat angles C4'-P-C4' energy: -137.373
flat angles P-C4'-P energy: -95.240
tors. eta vs tors. theta energy: -156.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1899.027088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.027088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.027088 (E_RNA)
where:
Base-Base interactions energy: -1314.138
where: short stacking energy: -515.639
Base-Backbone interact. energy: 0.019
local terms energy: -584.907783
where:
bonds (distance) C4'-P energy: -105.777
bonds (distance) P-C4' energy: -113.499
flat angles C4'-P-C4' energy: -119.230
flat angles P-C4'-P energy: -83.540
tors. eta vs tors. theta energy: -162.861
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: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1658.606013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.606013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.606013 (E_RNA)
where:
Base-Base interactions energy: -1104.950
where: short stacking energy: -450.871
Base-Backbone interact. energy: -0.552
local terms energy: -553.104711
where:
bonds (distance) C4'-P energy: -123.952
bonds (distance) P-C4' energy: -119.730
flat angles C4'-P-C4' energy: -115.406
flat angles P-C4'-P energy: -76.468
tors. eta vs tors. theta energy: -117.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1521.857729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.857729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.857729 (E_RNA)
where:
Base-Base interactions energy: -1026.369
where: short stacking energy: -449.209
Base-Backbone interact. energy: -2.121
local terms energy: -493.368421
where:
bonds (distance) C4'-P energy: -107.705
bonds (distance) P-C4' energy: -92.362
flat angles C4'-P-C4' energy: -113.711
flat angles P-C4'-P energy: -59.694
tors. eta vs tors. theta energy: -119.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -987.307927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.307927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.307927 (E_RNA)
where:
Base-Base interactions energy: -598.679
where: short stacking energy: -267.129
Base-Backbone interact. energy: 1.553
local terms energy: -390.181151
where:
bonds (distance) C4'-P energy: -94.296
bonds (distance) P-C4' energy: -114.475
flat angles C4'-P-C4' energy: -90.268
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: -41.852
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: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -877.205859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.205859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.205859 (E_RNA)
where:
Base-Base interactions energy: -483.509
where: short stacking energy: -240.859
Base-Backbone interact. energy: 1.540
local terms energy: -395.237332
where:
bonds (distance) C4'-P energy: -105.913
bonds (distance) P-C4' energy: -111.755
flat angles C4'-P-C4' energy: -98.105
flat angles P-C4'-P energy: -49.118
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -451.743232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.743232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.743232 (E_RNA)
where:
Base-Base interactions energy: -133.233
where: short stacking energy: -113.485
Base-Backbone interact. energy: -2.277
local terms energy: -316.232961
where:
bonds (distance) C4'-P energy: -98.439
bonds (distance) P-C4' energy: -105.356
flat angles C4'-P-C4' energy: -72.001
flat angles P-C4'-P energy: -44.879
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: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2382.215232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.215232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.215232 (E_RNA)
where:
Base-Base interactions energy: -1673.266
where: short stacking energy: -669.037
Base-Backbone interact. energy: -0.675
local terms energy: -708.274344
where:
bonds (distance) C4'-P energy: -119.394
bonds (distance) P-C4' energy: -133.643
flat angles C4'-P-C4' energy: -145.547
flat angles P-C4'-P energy: -111.093
tors. eta vs tors. theta energy: -198.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2263.147599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.147599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.147599 (E_RNA)
where:
Base-Base interactions energy: -1596.959
where: short stacking energy: -621.484
Base-Backbone interact. energy: -1.908
local terms energy: -664.281207
where:
bonds (distance) C4'-P energy: -123.585
bonds (distance) P-C4' energy: -109.068
flat angles C4'-P-C4' energy: -144.084
flat angles P-C4'-P energy: -104.801
tors. eta vs tors. theta energy: -182.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2130.390203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.390203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.390203 (E_RNA)
where:
Base-Base interactions energy: -1502.922
where: short stacking energy: -601.423
Base-Backbone interact. energy: -4.019
local terms energy: -623.449872
where:
bonds (distance) C4'-P energy: -115.831
bonds (distance) P-C4' energy: -123.994
flat angles C4'-P-C4' energy: -134.616
flat angles P-C4'-P energy: -82.314
tors. eta vs tors. theta energy: -166.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1978.272778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.272778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.272778 (E_RNA)
where:
Base-Base interactions energy: -1365.679
where: short stacking energy: -553.521
Base-Backbone interact. energy: -2.832
local terms energy: -609.762060
where:
bonds (distance) C4'-P energy: -119.002
bonds (distance) P-C4' energy: -123.101
flat angles C4'-P-C4' energy: -131.929
flat angles P-C4'-P energy: -76.995
tors. eta vs tors. theta energy: -158.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1932.297716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.297716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.297716 (E_RNA)
where:
Base-Base interactions energy: -1326.460
where: short stacking energy: -521.848
Base-Backbone interact. energy: -2.355
local terms energy: -603.482344
where:
bonds (distance) C4'-P energy: -119.601
bonds (distance) P-C4' energy: -112.219
flat angles C4'-P-C4' energy: -127.241
flat angles P-C4'-P energy: -81.873
tors. eta vs tors. theta energy: -162.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1678.034511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.034511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.034511 (E_RNA)
where:
Base-Base interactions energy: -1118.084
where: short stacking energy: -461.715
Base-Backbone interact. energy: 1.485
local terms energy: -561.435440
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -121.294
flat angles C4'-P-C4' energy: -135.416
flat angles P-C4'-P energy: -81.518
tors. eta vs tors. theta energy: -128.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1558.033748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.033748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.033748 (E_RNA)
where:
Base-Base interactions energy: -1041.121
where: short stacking energy: -426.165
Base-Backbone interact. energy: 0.618
local terms energy: -517.530500
where:
bonds (distance) C4'-P energy: -104.124
bonds (distance) P-C4' energy: -100.128
flat angles C4'-P-C4' energy: -119.404
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -120.785
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: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -966.912709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.912709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.912709 (E_RNA)
where:
Base-Base interactions energy: -589.605
where: short stacking energy: -273.633
Base-Backbone interact. energy: -3.281
local terms energy: -374.026841
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -89.541
flat angles C4'-P-C4' energy: -109.193
flat angles P-C4'-P energy: -50.736
tors. eta vs tors. theta energy: -37.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -810.224970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.224970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.224970 (E_RNA)
where:
Base-Base interactions energy: -410.745
where: short stacking energy: -222.109
Base-Backbone interact. energy: -2.594
local terms energy: -396.886169
where:
bonds (distance) C4'-P energy: -89.591
bonds (distance) P-C4' energy: -109.743
flat angles C4'-P-C4' energy: -108.591
flat angles P-C4'-P energy: -59.780
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -450.925804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.925804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.925804 (E_RNA)
where:
Base-Base interactions energy: -157.246
where: short stacking energy: -129.410
Base-Backbone interact. energy: -1.411
local terms energy: -292.269010
where:
bonds (distance) C4'-P energy: -108.333
bonds (distance) P-C4' energy: -92.738
flat angles C4'-P-C4' energy: -82.599
flat angles P-C4'-P energy: -52.132
tors. eta vs tors. theta energy: 43.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2332.467597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.467597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.467597 (E_RNA)
where:
Base-Base interactions energy: -1654.546
where: short stacking energy: -663.538
Base-Backbone interact. energy: -1.928
local terms energy: -675.994170
where:
bonds (distance) C4'-P energy: -128.442
bonds (distance) P-C4' energy: -121.792
flat angles C4'-P-C4' energy: -142.204
flat angles P-C4'-P energy: -93.254
tors. eta vs tors. theta energy: -190.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2271.303874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.303874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.303874 (E_RNA)
where:
Base-Base interactions energy: -1617.056
where: short stacking energy: -629.280
Base-Backbone interact. energy: -1.843
local terms energy: -652.404708
where:
bonds (distance) C4'-P energy: -119.382
bonds (distance) P-C4' energy: -110.380
flat angles C4'-P-C4' energy: -148.178
flat angles P-C4'-P energy: -96.085
tors. eta vs tors. theta energy: -178.381
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: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2165.805609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.805609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.805609 (E_RNA)
where:
Base-Base interactions energy: -1521.015
where: short stacking energy: -580.006
Base-Backbone interact. energy: -2.907
local terms energy: -641.883853
where:
bonds (distance) C4'-P energy: -131.281
bonds (distance) P-C4' energy: -121.997
flat angles C4'-P-C4' energy: -133.986
flat angles P-C4'-P energy: -88.635
tors. eta vs tors. theta energy: -165.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1941.607775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.607775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.607775 (E_RNA)
where:
Base-Base interactions energy: -1334.573
where: short stacking energy: -541.418
Base-Backbone interact. energy: -1.909
local terms energy: -605.126063
where:
bonds (distance) C4'-P energy: -111.889
bonds (distance) P-C4' energy: -123.989
flat angles C4'-P-C4' energy: -131.789
flat angles P-C4'-P energy: -71.763
tors. eta vs tors. theta energy: -165.696
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: 289
Temperature: 1.100000
Total energy: -1878.051008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.051008 (E_RNA)
where:
Base-Base interactions energy: -1282.544
where: short stacking energy: -499.682
Base-Backbone interact. energy: -0.883
local terms energy: -594.624477
where:
bonds (distance) C4'-P energy: -121.708
bonds (distance) P-C4' energy: -106.799
flat angles C4'-P-C4' energy: -123.536
flat angles P-C4'-P energy: -93.354
tors. eta vs tors. theta energy: -149.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1682.140765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.140765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.140765 (E_RNA)
where:
Base-Base interactions energy: -1168.280
where: short stacking energy: -468.062
Base-Backbone interact. energy: -0.176
local terms energy: -513.684594
where:
bonds (distance) C4'-P energy: -100.306
bonds (distance) P-C4' energy: -102.883
flat angles C4'-P-C4' energy: -110.061
flat angles P-C4'-P energy: -78.117
tors. eta vs tors. theta energy: -122.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1478.574499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.574499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.574499 (E_RNA)
where:
Base-Base interactions energy: -1035.663
where: short stacking energy: -433.634
Base-Backbone interact. energy: 4.449
local terms energy: -447.360592
where:
bonds (distance) C4'-P energy: -77.475
bonds (distance) P-C4' energy: -97.007
flat angles C4'-P-C4' energy: -91.460
flat angles P-C4'-P energy: -70.395
tors. eta vs tors. theta energy: -111.024
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: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1000.981460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.981460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.981460 (E_RNA)
where:
Base-Base interactions energy: -580.486
where: short stacking energy: -259.686
Base-Backbone interact. energy: -0.174
local terms energy: -420.322315
where:
bonds (distance) C4'-P energy: -97.330
bonds (distance) P-C4' energy: -102.991
flat angles C4'-P-C4' energy: -109.400
flat angles P-C4'-P energy: -70.481
tors. eta vs tors. theta energy: -40.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -822.833691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.833691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.833691 (E_RNA)
where:
Base-Base interactions energy: -440.170
where: short stacking energy: -198.720
Base-Backbone interact. energy: -2.078
local terms energy: -380.585466
where:
bonds (distance) C4'-P energy: -109.550
bonds (distance) P-C4' energy: -95.989
flat angles C4'-P-C4' energy: -101.211
flat angles P-C4'-P energy: -55.024
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -448.435368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.435368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.435368 (E_RNA)
where:
Base-Base interactions energy: -143.304
where: short stacking energy: -95.639
Base-Backbone interact. energy: -3.701
local terms energy: -301.431109
where:
bonds (distance) C4'-P energy: -104.640
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -78.413
flat angles P-C4'-P energy: -52.876
tors. eta vs tors. theta energy: 43.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2322.068513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.068513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.068513 (E_RNA)
where:
Base-Base interactions energy: -1641.795
where: short stacking energy: -647.896
Base-Backbone interact. energy: -0.902
local terms energy: -679.371543
where:
bonds (distance) C4'-P energy: -130.082
bonds (distance) P-C4' energy: -127.515
flat angles C4'-P-C4' energy: -141.217
flat angles P-C4'-P energy: -93.902
tors. eta vs tors. theta energy: -186.656
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: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2268.966047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.966047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.966047 (E_RNA)
where:
Base-Base interactions energy: -1619.255
where: short stacking energy: -621.136
Base-Backbone interact. energy: 0.883
local terms energy: -650.594262
where:
bonds (distance) C4'-P energy: -118.659
bonds (distance) P-C4' energy: -125.327
flat angles C4'-P-C4' energy: -129.012
flat angles P-C4'-P energy: -98.944
tors. eta vs tors. theta energy: -178.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2150.612496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.612496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.612496 (E_RNA)
where:
Base-Base interactions energy: -1518.045
where: short stacking energy: -590.714
Base-Backbone interact. energy: -1.459
local terms energy: -631.108127
where:
bonds (distance) C4'-P energy: -115.780
bonds (distance) P-C4' energy: -126.536
flat angles C4'-P-C4' energy: -132.299
flat angles P-C4'-P energy: -75.167
tors. eta vs tors. theta energy: -181.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1918.444669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.444669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.444669 (E_RNA)
where:
Base-Base interactions energy: -1342.385
where: short stacking energy: -525.069
Base-Backbone interact. energy: 0.709
local terms energy: -576.768795
where:
bonds (distance) C4'-P energy: -102.789
bonds (distance) P-C4' energy: -118.819
flat angles C4'-P-C4' energy: -111.549
flat angles P-C4'-P energy: -87.482
tors. eta vs tors. theta energy: -156.130
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: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1931.281455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.281455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.281455 (E_RNA)
where:
Base-Base interactions energy: -1320.668
where: short stacking energy: -549.377
Base-Backbone interact. energy: -5.457
local terms energy: -605.157211
where:
bonds (distance) C4'-P energy: -115.089
bonds (distance) P-C4' energy: -107.546
flat angles C4'-P-C4' energy: -126.905
flat angles P-C4'-P energy: -98.671
tors. eta vs tors. theta energy: -156.946
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: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1624.787937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.787937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.787937 (E_RNA)
where:
Base-Base interactions energy: -1088.342
where: short stacking energy: -445.087
Base-Backbone interact. energy: -0.408
local terms energy: -536.038052
where:
bonds (distance) C4'-P energy: -111.234
bonds (distance) P-C4' energy: -113.103
flat angles C4'-P-C4' energy: -116.207
flat angles P-C4'-P energy: -80.326
tors. eta vs tors. theta energy: -115.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1508.152966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.152966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.152966 (E_RNA)
where:
Base-Base interactions energy: -986.303
where: short stacking energy: -402.532
Base-Backbone interact. energy: -1.765
local terms energy: -520.085328
where:
bonds (distance) C4'-P energy: -114.189
bonds (distance) P-C4' energy: -101.095
flat angles C4'-P-C4' energy: -124.270
flat angles P-C4'-P energy: -60.435
tors. eta vs tors. theta energy: -120.096
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: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1089.962379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.962379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.962379 (E_RNA)
where:
Base-Base interactions energy: -648.597
where: short stacking energy: -307.219
Base-Backbone interact. energy: 0.664
local terms energy: -442.029496
where:
bonds (distance) C4'-P energy: -107.614
bonds (distance) P-C4' energy: -108.675
flat angles C4'-P-C4' energy: -101.436
flat angles P-C4'-P energy: -60.688
tors. eta vs tors. theta energy: -63.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -883.114184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.114184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.114184 (E_RNA)
where:
Base-Base interactions energy: -479.122
where: short stacking energy: -216.019
Base-Backbone interact. energy: 2.022
local terms energy: -406.013589
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -122.111
flat angles C4'-P-C4' energy: -90.914
flat angles P-C4'-P energy: -64.749
tors. eta vs tors. theta energy: -25.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -476.454089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.454089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.454089 (E_RNA)
where:
Base-Base interactions energy: -153.218
where: short stacking energy: -128.661
Base-Backbone interact. energy: -1.045
local terms energy: -322.190285
where:
bonds (distance) C4'-P energy: -85.361
bonds (distance) P-C4' energy: -102.910
flat angles C4'-P-C4' energy: -86.519
flat angles P-C4'-P energy: -53.994
tors. eta vs tors. theta energy: 6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2328.754180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.754180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.754180 (E_RNA)
where:
Base-Base interactions energy: -1651.814
where: short stacking energy: -676.331
Base-Backbone interact. energy: 2.611
local terms energy: -679.551396
where:
bonds (distance) C4'-P energy: -136.673
bonds (distance) P-C4' energy: -111.564
flat angles C4'-P-C4' energy: -138.050
flat angles P-C4'-P energy: -106.876
tors. eta vs tors. theta energy: -186.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2316.316248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.316248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.316248 (E_RNA)
where:
Base-Base interactions energy: -1633.650
where: short stacking energy: -646.369
Base-Backbone interact. energy: 0.894
local terms energy: -683.560717
where:
bonds (distance) C4'-P energy: -133.613
bonds (distance) P-C4' energy: -116.144
flat angles C4'-P-C4' energy: -142.667
flat angles P-C4'-P energy: -99.463
tors. eta vs tors. theta energy: -191.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2170.109093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.109093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.109093 (E_RNA)
where:
Base-Base interactions energy: -1518.284
where: short stacking energy: -590.924
Base-Backbone interact. energy: -2.364
local terms energy: -649.461753
where:
bonds (distance) C4'-P energy: -118.463
bonds (distance) P-C4' energy: -120.122
flat angles C4'-P-C4' energy: -141.539
flat angles P-C4'-P energy: -89.740
tors. eta vs tors. theta energy: -179.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2001.317291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.317291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.317291 (E_RNA)
where:
Base-Base interactions energy: -1376.675
where: short stacking energy: -568.234
Base-Backbone interact. energy: -3.871
local terms energy: -620.771022
where:
bonds (distance) C4'-P energy: -115.698
bonds (distance) P-C4' energy: -126.364
flat angles C4'-P-C4' energy: -115.413
flat angles P-C4'-P energy: -87.940
tors. eta vs tors. theta energy: -175.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1956.945486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.945486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.945486 (E_RNA)
where:
Base-Base interactions energy: -1352.119
where: short stacking energy: -543.165
Base-Backbone interact. energy: -0.716
local terms energy: -604.110364
where:
bonds (distance) C4'-P energy: -107.291
bonds (distance) P-C4' energy: -122.009
flat angles C4'-P-C4' energy: -135.515
flat angles P-C4'-P energy: -79.723
tors. eta vs tors. theta energy: -159.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1689.522997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.522997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.522997 (E_RNA)
where:
Base-Base interactions energy: -1148.204
where: short stacking energy: -454.585
Base-Backbone interact. energy: 1.407
local terms energy: -542.726463
where:
bonds (distance) C4'-P energy: -115.802
bonds (distance) P-C4' energy: -101.758
flat angles C4'-P-C4' energy: -122.305
flat angles P-C4'-P energy: -73.886
tors. eta vs tors. theta energy: -128.976
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: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1442.380164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.380164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.380164 (E_RNA)
where:
Base-Base interactions energy: -937.590
where: short stacking energy: -407.178
Base-Backbone interact. energy: 0.174
local terms energy: -504.964460
where:
bonds (distance) C4'-P energy: -108.207
bonds (distance) P-C4' energy: -116.814
flat angles C4'-P-C4' energy: -108.473
flat angles P-C4'-P energy: -77.642
tors. eta vs tors. theta energy: -93.828
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: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1097.999653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.999653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.999653 (E_RNA)
where:
Base-Base interactions energy: -634.601
where: short stacking energy: -286.789
Base-Backbone interact. energy: -2.486
local terms energy: -460.911869
where:
bonds (distance) C4'-P energy: -95.113
bonds (distance) P-C4' energy: -114.069
flat angles C4'-P-C4' energy: -109.875
flat angles P-C4'-P energy: -64.440
tors. eta vs tors. theta energy: -77.414
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: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -856.236740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.236740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.236740 (E_RNA)
where:
Base-Base interactions energy: -472.768
where: short stacking energy: -230.040
Base-Backbone interact. energy: -1.628
local terms energy: -381.840373
where:
bonds (distance) C4'-P energy: -98.555
bonds (distance) P-C4' energy: -102.842
flat angles C4'-P-C4' energy: -105.965
flat angles P-C4'-P energy: -55.342
tors. eta vs tors. theta energy: -19.136
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: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -449.061657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.061657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.061657 (E_RNA)
where:
Base-Base interactions energy: -151.701
where: short stacking energy: -109.720
Base-Backbone interact. energy: -0.860
local terms energy: -296.501457
where:
bonds (distance) C4'-P energy: -98.890
bonds (distance) P-C4' energy: -103.645
flat angles C4'-P-C4' energy: -75.234
flat angles P-C4'-P energy: -48.338
tors. eta vs tors. theta energy: 29.604
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: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2315.540807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.540807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.540807 (E_RNA)
where:
Base-Base interactions energy: -1650.230
where: short stacking energy: -652.407
Base-Backbone interact. energy: -0.474
local terms energy: -664.836617
where:
bonds (distance) C4'-P energy: -123.993
bonds (distance) P-C4' energy: -117.676
flat angles C4'-P-C4' energy: -144.344
flat angles P-C4'-P energy: -87.696
tors. eta vs tors. theta energy: -191.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2271.408233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.408233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.408233 (E_RNA)
where:
Base-Base interactions energy: -1603.381
where: short stacking energy: -629.570
Base-Backbone interact. energy: -1.525
local terms energy: -666.502533
where:
bonds (distance) C4'-P energy: -138.935
bonds (distance) P-C4' energy: -124.547
flat angles C4'-P-C4' energy: -141.830
flat angles P-C4'-P energy: -84.189
tors. eta vs tors. theta energy: -177.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2190.081902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.081902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.081902 (E_RNA)
where:
Base-Base interactions energy: -1553.258
where: short stacking energy: -598.319
Base-Backbone interact. energy: -3.852
local terms energy: -632.971829
where:
bonds (distance) C4'-P energy: -129.054
bonds (distance) P-C4' energy: -99.732
flat angles C4'-P-C4' energy: -136.127
flat angles P-C4'-P energy: -93.202
tors. eta vs tors. theta energy: -174.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1977.811072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.811072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.811072 (E_RNA)
where:
Base-Base interactions energy: -1361.938
where: short stacking energy: -541.873
Base-Backbone interact. energy: -3.689
local terms energy: -612.184140
where:
bonds (distance) C4'-P energy: -107.321
bonds (distance) P-C4' energy: -116.555
flat angles C4'-P-C4' energy: -132.648
flat angles P-C4'-P energy: -87.657
tors. eta vs tors. theta energy: -168.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1895.408728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.408728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.408728 (E_RNA)
where:
Base-Base interactions energy: -1303.503
where: short stacking energy: -520.660
Base-Backbone interact. energy: -0.683
local terms energy: -591.222187
where:
bonds (distance) C4'-P energy: -113.694
bonds (distance) P-C4' energy: -97.904
flat angles C4'-P-C4' energy: -138.141
flat angles P-C4'-P energy: -86.842
tors. eta vs tors. theta energy: -154.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1678.962077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.962077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.962077 (E_RNA)
where:
Base-Base interactions energy: -1119.896
where: short stacking energy: -449.504
Base-Backbone interact. energy: 1.859
local terms energy: -560.925732
where:
bonds (distance) C4'-P energy: -97.865
bonds (distance) P-C4' energy: -112.040
flat angles C4'-P-C4' energy: -123.436
flat angles P-C4'-P energy: -86.236
tors. eta vs tors. theta energy: -141.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1458.314131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.314131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.314131 (E_RNA)
where:
Base-Base interactions energy: -945.313
where: short stacking energy: -402.145
Base-Backbone interact. energy: -0.113
local terms energy: -512.888549
where:
bonds (distance) C4'-P energy: -116.075
bonds (distance) P-C4' energy: -113.498
flat angles C4'-P-C4' energy: -99.476
flat angles P-C4'-P energy: -81.348
tors. eta vs tors. theta energy: -102.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1151.848969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.848969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.848969 (E_RNA)
where:
Base-Base interactions energy: -698.887
where: short stacking energy: -316.049
Base-Backbone interact. energy: 0.759
local terms energy: -453.720928
where:
bonds (distance) C4'-P energy: -101.263
bonds (distance) P-C4' energy: -101.637
flat angles C4'-P-C4' energy: -110.056
flat angles P-C4'-P energy: -81.417
tors. eta vs tors. theta energy: -59.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -874.636428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.636428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.636428 (E_RNA)
where:
Base-Base interactions energy: -468.908
where: short stacking energy: -231.955
Base-Backbone interact. energy: -0.260
local terms energy: -405.468909
where:
bonds (distance) C4'-P energy: -93.260
bonds (distance) P-C4' energy: -105.782
flat angles C4'-P-C4' energy: -115.189
flat angles P-C4'-P energy: -67.442
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -553.594198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.594198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.594198 (E_RNA)
where:
Base-Base interactions energy: -243.798
where: short stacking energy: -156.120
Base-Backbone interact. energy: -1.625
local terms energy: -308.171778
where:
bonds (distance) C4'-P energy: -93.607
bonds (distance) P-C4' energy: -100.637
flat angles C4'-P-C4' energy: -81.619
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: 10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2333.462729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.462729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.462729 (E_RNA)
where:
Base-Base interactions energy: -1628.235
where: short stacking energy: -679.327
Base-Backbone interact. energy: -0.505
local terms energy: -704.722405
where:
bonds (distance) C4'-P energy: -120.475
bonds (distance) P-C4' energy: -126.914
flat angles C4'-P-C4' energy: -150.596
flat angles P-C4'-P energy: -99.484
tors. eta vs tors. theta energy: -207.254
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: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2258.907841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.907841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.907841 (E_RNA)
where:
Base-Base interactions energy: -1625.716
where: short stacking energy: -617.026
Base-Backbone interact. energy: -0.120
local terms energy: -633.072306
where:
bonds (distance) C4'-P energy: -113.601
bonds (distance) P-C4' energy: -117.833
flat angles C4'-P-C4' energy: -143.151
flat angles P-C4'-P energy: -90.776
tors. eta vs tors. theta energy: -167.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2208.914938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.914938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.914938 (E_RNA)
where:
Base-Base interactions energy: -1534.684
where: short stacking energy: -608.257
Base-Backbone interact. energy: -4.227
local terms energy: -670.003338
where:
bonds (distance) C4'-P energy: -118.384
bonds (distance) P-C4' energy: -137.475
flat angles C4'-P-C4' energy: -136.113
flat angles P-C4'-P energy: -88.786
tors. eta vs tors. theta energy: -189.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1980.320304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.320304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.320304 (E_RNA)
where:
Base-Base interactions energy: -1330.291
where: short stacking energy: -554.280
Base-Backbone interact. energy: -0.934
local terms energy: -649.095895
where:
bonds (distance) C4'-P energy: -121.530
bonds (distance) P-C4' energy: -130.734
flat angles C4'-P-C4' energy: -135.611
flat angles P-C4'-P energy: -95.669
tors. eta vs tors. theta energy: -165.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1879.060460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.060460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.060460 (E_RNA)
where:
Base-Base interactions energy: -1320.554
where: short stacking energy: -536.628
Base-Backbone interact. energy: -0.103
local terms energy: -558.403394
where:
bonds (distance) C4'-P energy: -93.581
bonds (distance) P-C4' energy: -100.912
flat angles C4'-P-C4' energy: -123.723
flat angles P-C4'-P energy: -77.239
tors. eta vs tors. theta energy: -162.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1677.651992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.651992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.651992 (E_RNA)
where:
Base-Base interactions energy: -1165.740
where: short stacking energy: -473.741
Base-Backbone interact. energy: 3.172
local terms energy: -515.084014
where:
bonds (distance) C4'-P energy: -101.187
bonds (distance) P-C4' energy: -99.126
flat angles C4'-P-C4' energy: -117.985
flat angles P-C4'-P energy: -78.625
tors. eta vs tors. theta energy: -118.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1350.302808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.302808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.302808 (E_RNA)
where:
Base-Base interactions energy: -875.383
where: short stacking energy: -365.316
Base-Backbone interact. energy: -2.521
local terms energy: -472.397984
where:
bonds (distance) C4'-P energy: -108.901
bonds (distance) P-C4' energy: -102.214
flat angles C4'-P-C4' energy: -106.075
flat angles P-C4'-P energy: -59.951
tors. eta vs tors. theta energy: -95.257
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: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1172.732203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.732203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.732203 (E_RNA)
where:
Base-Base interactions energy: -726.620
where: short stacking energy: -314.458
Base-Backbone interact. energy: -0.028
local terms energy: -446.084586
where:
bonds (distance) C4'-P energy: -95.029
bonds (distance) P-C4' energy: -116.376
flat angles C4'-P-C4' energy: -107.864
flat angles P-C4'-P energy: -74.030
tors. eta vs tors. theta energy: -52.786
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: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -857.349462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.349462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.349462 (E_RNA)
where:
Base-Base interactions energy: -435.534
where: short stacking energy: -209.601
Base-Backbone interact. energy: 0.179
local terms energy: -421.994571
where:
bonds (distance) C4'-P energy: -127.120
bonds (distance) P-C4' energy: -106.929
flat angles C4'-P-C4' energy: -100.820
flat angles P-C4'-P energy: -56.992
tors. eta vs tors. theta energy: -30.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -594.323686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.323686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.323686 (E_RNA)
where:
Base-Base interactions energy: -252.774
where: short stacking energy: -156.243
Base-Backbone interact. energy: 3.464
local terms energy: -345.014334
where:
bonds (distance) C4'-P energy: -99.888
bonds (distance) P-C4' energy: -119.503
flat angles C4'-P-C4' energy: -85.978
flat angles P-C4'-P energy: -50.130
tors. eta vs tors. theta energy: 10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2372.201575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.201575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.201575 (E_RNA)
where:
Base-Base interactions energy: -1653.519
where: short stacking energy: -673.732
Base-Backbone interact. energy: 1.208
local terms energy: -719.890676
where:
bonds (distance) C4'-P energy: -124.881
bonds (distance) P-C4' energy: -127.395
flat angles C4'-P-C4' energy: -150.426
flat angles P-C4'-P energy: -109.842
tors. eta vs tors. theta energy: -207.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2251.005810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.005810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.005810 (E_RNA)
where:
Base-Base interactions energy: -1618.365
where: short stacking energy: -613.006
Base-Backbone interact. energy: -0.299
local terms energy: -632.341901
where:
bonds (distance) C4'-P energy: -113.070
bonds (distance) P-C4' energy: -126.294
flat angles C4'-P-C4' energy: -135.567
flat angles P-C4'-P energy: -74.695
tors. eta vs tors. theta energy: -182.717
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: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2164.215645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.215645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.215645 (E_RNA)
where:
Base-Base interactions energy: -1506.248
where: short stacking energy: -585.149
Base-Backbone interact. energy: -3.151
local terms energy: -654.817469
where:
bonds (distance) C4'-P energy: -134.603
bonds (distance) P-C4' energy: -130.517
flat angles C4'-P-C4' energy: -114.878
flat angles P-C4'-P energy: -98.786
tors. eta vs tors. theta energy: -176.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2003.070407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.070407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.070407 (E_RNA)
where:
Base-Base interactions energy: -1386.596
where: short stacking energy: -555.114
Base-Backbone interact. energy: -6.072
local terms energy: -610.402233
where:
bonds (distance) C4'-P energy: -113.344
bonds (distance) P-C4' energy: -112.616
flat angles C4'-P-C4' energy: -133.474
flat angles P-C4'-P energy: -87.612
tors. eta vs tors. theta energy: -163.357
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: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1859.386466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.386466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.386466 (E_RNA)
where:
Base-Base interactions energy: -1278.096
where: short stacking energy: -508.513
Base-Backbone interact. energy: -1.432
local terms energy: -579.858386
where:
bonds (distance) C4'-P energy: -104.776
bonds (distance) P-C4' energy: -118.241
flat angles C4'-P-C4' energy: -120.598
flat angles P-C4'-P energy: -92.481
tors. eta vs tors. theta energy: -143.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1679.149101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.149101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.149101 (E_RNA)
where:
Base-Base interactions energy: -1138.261
where: short stacking energy: -463.606
Base-Backbone interact. energy: -0.565
local terms energy: -540.323420
where:
bonds (distance) C4'-P energy: -93.557
bonds (distance) P-C4' energy: -108.182
flat angles C4'-P-C4' energy: -121.203
flat angles P-C4'-P energy: -77.228
tors. eta vs tors. theta energy: -140.153
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1430.616677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.616677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.616677 (E_RNA)
where:
Base-Base interactions energy: -960.293
where: short stacking energy: -398.996
Base-Backbone interact. energy: 3.497
local terms energy: -473.820488
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -114.884
flat angles C4'-P-C4' energy: -104.284
flat angles P-C4'-P energy: -62.554
tors. eta vs tors. theta energy: -98.116
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: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1152.545160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.545160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.545160 (E_RNA)
where:
Base-Base interactions energy: -703.811
where: short stacking energy: -318.553
Base-Backbone interact. energy: 0.128
local terms energy: -448.861898
where:
bonds (distance) C4'-P energy: -94.042
bonds (distance) P-C4' energy: -103.460
flat angles C4'-P-C4' energy: -112.689
flat angles P-C4'-P energy: -83.009
tors. eta vs tors. theta energy: -55.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -854.357810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.357810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.357810 (E_RNA)
where:
Base-Base interactions energy: -467.288
where: short stacking energy: -231.830
Base-Backbone interact. energy: 1.725
local terms energy: -388.794730
where:
bonds (distance) C4'-P energy: -89.917
bonds (distance) P-C4' energy: -116.447
flat angles C4'-P-C4' energy: -90.224
flat angles P-C4'-P energy: -56.691
tors. eta vs tors. theta energy: -35.515
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: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -578.182063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.182063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.182063 (E_RNA)
where:
Base-Base interactions energy: -262.529
where: short stacking energy: -158.544
Base-Backbone interact. energy: 2.290
local terms energy: -317.943566
where:
bonds (distance) C4'-P energy: -81.665
bonds (distance) P-C4' energy: -115.550
flat angles C4'-P-C4' energy: -92.319
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2362.906867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.906867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.906867 (E_RNA)
where:
Base-Base interactions energy: -1661.025
where: short stacking energy: -672.974
Base-Backbone interact. energy: -0.099
local terms energy: -701.782771
where:
bonds (distance) C4'-P energy: -127.806
bonds (distance) P-C4' energy: -125.994
flat angles C4'-P-C4' energy: -145.508
flat angles P-C4'-P energy: -104.241
tors. eta vs tors. theta energy: -198.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2284.162648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.162648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.162648 (E_RNA)
where:
Base-Base interactions energy: -1639.542
where: short stacking energy: -626.454
Base-Backbone interact. energy: 2.526
local terms energy: -647.146682
where:
bonds (distance) C4'-P energy: -128.412
bonds (distance) P-C4' energy: -121.236
flat angles C4'-P-C4' energy: -134.329
flat angles P-C4'-P energy: -76.594
tors. eta vs tors. theta energy: -186.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2158.412915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.412915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.412915 (E_RNA)
where:
Base-Base interactions energy: -1504.722
where: short stacking energy: -621.196
Base-Backbone interact. energy: -3.447
local terms energy: -650.244505
where:
bonds (distance) C4'-P energy: -127.691
bonds (distance) P-C4' energy: -114.556
flat angles C4'-P-C4' energy: -130.872
flat angles P-C4'-P energy: -97.965
tors. eta vs tors. theta energy: -179.161
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: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1969.107481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.107481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.107481 (E_RNA)
where:
Base-Base interactions energy: -1362.033
where: short stacking energy: -553.597
Base-Backbone interact. energy: -2.612
local terms energy: -604.462332
where:
bonds (distance) C4'-P energy: -114.418
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -133.994
flat angles P-C4'-P energy: -90.089
tors. eta vs tors. theta energy: -164.124
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: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1876.909429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.909429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.909429 (E_RNA)
where:
Base-Base interactions energy: -1305.213
where: short stacking energy: -522.155
Base-Backbone interact. energy: 2.358
local terms energy: -574.054563
where:
bonds (distance) C4'-P energy: -115.711
bonds (distance) P-C4' energy: -119.785
flat angles C4'-P-C4' energy: -118.480
flat angles P-C4'-P energy: -75.889
tors. eta vs tors. theta energy: -144.190
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: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1696.863836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.863836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.863836 (E_RNA)
where:
Base-Base interactions energy: -1184.487
where: short stacking energy: -481.219
Base-Backbone interact. energy: 1.814
local terms energy: -514.190518
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -110.390
flat angles C4'-P-C4' energy: -118.894
flat angles P-C4'-P energy: -73.493
tors. eta vs tors. theta energy: -116.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1489.993837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.993837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.993837 (E_RNA)
where:
Base-Base interactions energy: -1006.970
where: short stacking energy: -423.918
Base-Backbone interact. energy: -1.422
local terms energy: -481.601953
where:
bonds (distance) C4'-P energy: -93.890
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -116.395
flat angles P-C4'-P energy: -58.013
tors. eta vs tors. theta energy: -117.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1091.841508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.841508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.841508 (E_RNA)
where:
Base-Base interactions energy: -630.914
where: short stacking energy: -300.600
Base-Backbone interact. energy: -0.725
local terms energy: -460.202290
where:
bonds (distance) C4'-P energy: -105.067
bonds (distance) P-C4' energy: -110.070
flat angles C4'-P-C4' energy: -111.233
flat angles P-C4'-P energy: -78.742
tors. eta vs tors. theta energy: -55.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -868.137172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.137172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.137172 (E_RNA)
where:
Base-Base interactions energy: -496.370
where: short stacking energy: -222.687
Base-Backbone interact. energy: 3.008
local terms energy: -374.775543
where:
bonds (distance) C4'-P energy: -88.626
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -98.528
flat angles P-C4'-P energy: -64.256
tors. eta vs tors. theta energy: -24.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -615.706875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.706875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.706875 (E_RNA)
where:
Base-Base interactions energy: -293.406
where: short stacking energy: -181.834
Base-Backbone interact. energy: -1.258
local terms energy: -321.043136
where:
bonds (distance) C4'-P energy: -88.275
bonds (distance) P-C4' energy: -91.814
flat angles C4'-P-C4' energy: -92.492
flat angles P-C4'-P energy: -48.216
tors. eta vs tors. theta energy: -0.247
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: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2355.782518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.782518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.782518 (E_RNA)
where:
Base-Base interactions energy: -1647.964
where: short stacking energy: -657.888
Base-Backbone interact. energy: 1.134
local terms energy: -708.951828
where:
bonds (distance) C4'-P energy: -122.246
bonds (distance) P-C4' energy: -144.159
flat angles C4'-P-C4' energy: -149.583
flat angles P-C4'-P energy: -88.282
tors. eta vs tors. theta energy: -204.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2260.815510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.815510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.815510 (E_RNA)
where:
Base-Base interactions energy: -1625.180
where: short stacking energy: -617.186
Base-Backbone interact. energy: 4.504
local terms energy: -640.139413
where:
bonds (distance) C4'-P energy: -112.212
bonds (distance) P-C4' energy: -127.224
flat angles C4'-P-C4' energy: -134.669
flat angles P-C4'-P energy: -92.572
tors. eta vs tors. theta energy: -173.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2134.489517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.489517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.489517 (E_RNA)
where:
Base-Base interactions energy: -1486.496
where: short stacking energy: -574.384
Base-Backbone interact. energy: -2.756
local terms energy: -645.237346
where:
bonds (distance) C4'-P energy: -117.116
bonds (distance) P-C4' energy: -115.988
flat angles C4'-P-C4' energy: -135.484
flat angles P-C4'-P energy: -98.708
tors. eta vs tors. theta energy: -177.942
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: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1985.406219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.406219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.406219 (E_RNA)
where:
Base-Base interactions energy: -1344.802
where: short stacking energy: -538.992
Base-Backbone interact. energy: -4.147
local terms energy: -636.456622
where:
bonds (distance) C4'-P energy: -123.806
bonds (distance) P-C4' energy: -115.568
flat angles C4'-P-C4' energy: -127.738
flat angles P-C4'-P energy: -98.703
tors. eta vs tors. theta energy: -170.641
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: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1841.140849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.140849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.140849 (E_RNA)
where:
Base-Base interactions energy: -1238.385
where: short stacking energy: -526.709
Base-Backbone interact. energy: -1.943
local terms energy: -600.813234
where:
bonds (distance) C4'-P energy: -101.608
bonds (distance) P-C4' energy: -123.462
flat angles C4'-P-C4' energy: -133.069
flat angles P-C4'-P energy: -78.089
tors. eta vs tors. theta energy: -164.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1664.462293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.462293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.462293 (E_RNA)
where:
Base-Base interactions energy: -1138.509
where: short stacking energy: -469.502
Base-Backbone interact. energy: -1.771
local terms energy: -524.182368
where:
bonds (distance) C4'-P energy: -97.248
bonds (distance) P-C4' energy: -116.397
flat angles C4'-P-C4' energy: -127.501
flat angles P-C4'-P energy: -55.759
tors. eta vs tors. theta energy: -127.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1541.893799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.893799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.893799 (E_RNA)
where:
Base-Base interactions energy: -1025.298
where: short stacking energy: -420.907
Base-Backbone interact. energy: -0.636
local terms energy: -515.960316
where:
bonds (distance) C4'-P energy: -92.094
bonds (distance) P-C4' energy: -108.825
flat angles C4'-P-C4' energy: -121.439
flat angles P-C4'-P energy: -75.290
tors. eta vs tors. theta energy: -118.311
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: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1176.107345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.107345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.107345 (E_RNA)
where:
Base-Base interactions energy: -700.791
where: short stacking energy: -327.034
Base-Backbone interact. energy: -2.993
local terms energy: -472.323667
where:
bonds (distance) C4'-P energy: -112.977
bonds (distance) P-C4' energy: -99.699
flat angles C4'-P-C4' energy: -109.059
flat angles P-C4'-P energy: -77.976
tors. eta vs tors. theta energy: -72.612
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: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -952.741609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.741609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.741609 (E_RNA)
where:
Base-Base interactions energy: -525.429
where: short stacking energy: -261.885
Base-Backbone interact. energy: 0.018
local terms energy: -427.330112
where:
bonds (distance) C4'-P energy: -105.476
bonds (distance) P-C4' energy: -109.426
flat angles C4'-P-C4' energy: -118.047
flat angles P-C4'-P energy: -52.105
tors. eta vs tors. theta energy: -42.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -559.403702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.403702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.403702 (E_RNA)
where:
Base-Base interactions energy: -266.240
where: short stacking energy: -155.200
Base-Backbone interact. energy: 0.610
local terms energy: -293.773132
where:
bonds (distance) C4'-P energy: -70.529
bonds (distance) P-C4' energy: -109.437
flat angles C4'-P-C4' energy: -72.586
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: 9.456
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: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2349.098573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.098573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.098573 (E_RNA)
where:
Base-Base interactions energy: -1649.047
where: short stacking energy: -654.723
Base-Backbone interact. energy: -0.951
local terms energy: -699.100630
where:
bonds (distance) C4'-P energy: -125.700
bonds (distance) P-C4' energy: -127.937
flat angles C4'-P-C4' energy: -141.791
flat angles P-C4'-P energy: -104.351
tors. eta vs tors. theta energy: -199.322
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: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2283.199545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.199545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.199545 (E_RNA)
where:
Base-Base interactions energy: -1620.909
where: short stacking energy: -624.695
Base-Backbone interact. energy: 0.223
local terms energy: -662.513447
where:
bonds (distance) C4'-P energy: -122.285
bonds (distance) P-C4' energy: -124.974
flat angles C4'-P-C4' energy: -133.182
flat angles P-C4'-P energy: -104.878
tors. eta vs tors. theta energy: -177.194
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: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2163.708764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.708764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.708764 (E_RNA)
where:
Base-Base interactions energy: -1527.302
where: short stacking energy: -612.430
Base-Backbone interact. energy: 0.144
local terms energy: -636.550848
where:
bonds (distance) C4'-P energy: -104.510
bonds (distance) P-C4' energy: -115.727
flat angles C4'-P-C4' energy: -138.784
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -184.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1967.754189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.754189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.754189 (E_RNA)
where:
Base-Base interactions energy: -1318.169
where: short stacking energy: -546.019
Base-Backbone interact. energy: -2.522
local terms energy: -647.063321
where:
bonds (distance) C4'-P energy: -113.549
bonds (distance) P-C4' energy: -138.761
flat angles C4'-P-C4' energy: -129.187
flat angles P-C4'-P energy: -94.035
tors. eta vs tors. theta energy: -171.531
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: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1859.614886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.614886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.614886 (E_RNA)
where:
Base-Base interactions energy: -1266.256
where: short stacking energy: -493.666
Base-Backbone interact. energy: -0.460
local terms energy: -592.899023
where:
bonds (distance) C4'-P energy: -112.504
bonds (distance) P-C4' energy: -109.147
flat angles C4'-P-C4' energy: -131.551
flat angles P-C4'-P energy: -101.816
tors. eta vs tors. theta energy: -137.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1673.845426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.845426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.845426 (E_RNA)
where:
Base-Base interactions energy: -1135.237
where: short stacking energy: -480.695
Base-Backbone interact. energy: -0.356
local terms energy: -538.252362
where:
bonds (distance) C4'-P energy: -104.986
bonds (distance) P-C4' energy: -115.206
flat angles C4'-P-C4' energy: -131.783
flat angles P-C4'-P energy: -69.017
tors. eta vs tors. theta energy: -117.261
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: 297
Temperature: 1.200000
Total energy: -1491.069900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.069900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.069900 (E_RNA)
where:
Base-Base interactions energy: -1011.358
where: short stacking energy: -416.796
Base-Backbone interact. energy: 2.915
local terms energy: -482.626126
where:
bonds (distance) C4'-P energy: -93.288
bonds (distance) P-C4' energy: -107.947
flat angles C4'-P-C4' energy: -102.678
flat angles P-C4'-P energy: -85.375
tors. eta vs tors. theta energy: -93.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1144.309243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.309243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.309243 (E_RNA)
where:
Base-Base interactions energy: -701.718
where: short stacking energy: -333.409
Base-Backbone interact. energy: -0.709
local terms energy: -441.882915
where:
bonds (distance) C4'-P energy: -84.354
bonds (distance) P-C4' energy: -101.356
flat angles C4'-P-C4' energy: -109.810
flat angles P-C4'-P energy: -75.010
tors. eta vs tors. theta energy: -71.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -908.459985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.459985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.459985 (E_RNA)
where:
Base-Base interactions energy: -513.821
where: short stacking energy: -252.313
Base-Backbone interact. energy: -3.163
local terms energy: -391.475571
where:
bonds (distance) C4'-P energy: -96.410
bonds (distance) P-C4' energy: -95.317
flat angles C4'-P-C4' energy: -90.568
flat angles P-C4'-P energy: -62.576
tors. eta vs tors. theta energy: -46.604
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: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -570.024675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.024675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.024675 (E_RNA)
where:
Base-Base interactions energy: -258.656
where: short stacking energy: -152.438
Base-Backbone interact. energy: 0.320
local terms energy: -311.688248
where:
bonds (distance) C4'-P energy: -104.476
bonds (distance) P-C4' energy: -110.851
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: 13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2334.114231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.114231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.114231 (E_RNA)
where:
Base-Base interactions energy: -1626.581
where: short stacking energy: -664.343
Base-Backbone interact. energy: -2.370
local terms energy: -705.163518
where:
bonds (distance) C4'-P energy: -121.851
bonds (distance) P-C4' energy: -135.798
flat angles C4'-P-C4' energy: -147.173
flat angles P-C4'-P energy: -106.719
tors. eta vs tors. theta energy: -193.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2273.432061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.432061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.432061 (E_RNA)
where:
Base-Base interactions energy: -1626.530
where: short stacking energy: -643.841
Base-Backbone interact. energy: 5.445
local terms energy: -652.347388
where:
bonds (distance) C4'-P energy: -106.476
bonds (distance) P-C4' energy: -124.371
flat angles C4'-P-C4' energy: -143.133
flat angles P-C4'-P energy: -97.045
tors. eta vs tors. theta energy: -181.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2190.503731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.503731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.503731 (E_RNA)
where:
Base-Base interactions energy: -1551.428
where: short stacking energy: -616.549
Base-Backbone interact. energy: -2.819
local terms energy: -636.256755
where:
bonds (distance) C4'-P energy: -125.466
bonds (distance) P-C4' energy: -119.499
flat angles C4'-P-C4' energy: -132.537
flat angles P-C4'-P energy: -76.834
tors. eta vs tors. theta energy: -181.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1986.684217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.684217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.684217 (E_RNA)
where:
Base-Base interactions energy: -1402.764
where: short stacking energy: -565.402
Base-Backbone interact. energy: -0.783
local terms energy: -583.136592
where:
bonds (distance) C4'-P energy: -114.816
bonds (distance) P-C4' energy: -82.018
flat angles C4'-P-C4' energy: -134.284
flat angles P-C4'-P energy: -102.109
tors. eta vs tors. theta energy: -149.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1894.022729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.022729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.022729 (E_RNA)
where:
Base-Base interactions energy: -1300.297
where: short stacking energy: -521.414
Base-Backbone interact. energy: 0.043
local terms energy: -593.769047
where:
bonds (distance) C4'-P energy: -108.454
bonds (distance) P-C4' energy: -109.252
flat angles C4'-P-C4' energy: -128.827
flat angles P-C4'-P energy: -90.939
tors. eta vs tors. theta energy: -156.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1674.729617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.729617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.729617 (E_RNA)
where:
Base-Base interactions energy: -1151.061
where: short stacking energy: -462.098
Base-Backbone interact. energy: 3.188
local terms energy: -526.856334
where:
bonds (distance) C4'-P energy: -115.076
bonds (distance) P-C4' energy: -95.671
flat angles C4'-P-C4' energy: -123.169
flat angles P-C4'-P energy: -72.804
tors. eta vs tors. theta energy: -120.137
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: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1488.553177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.553177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.553177 (E_RNA)
where:
Base-Base interactions energy: -1015.184
where: short stacking energy: -414.038
Base-Backbone interact. energy: -3.564
local terms energy: -469.804704
where:
bonds (distance) C4'-P energy: -65.697
bonds (distance) P-C4' energy: -118.592
flat angles C4'-P-C4' energy: -97.429
flat angles P-C4'-P energy: -69.248
tors. eta vs tors. theta energy: -118.839
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: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1111.658600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.658600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.658600 (E_RNA)
where:
Base-Base interactions energy: -656.993
where: short stacking energy: -287.483
Base-Backbone interact. energy: 4.588
local terms energy: -459.254042
where:
bonds (distance) C4'-P energy: -121.573
bonds (distance) P-C4' energy: -123.983
flat angles C4'-P-C4' energy: -104.543
flat angles P-C4'-P energy: -53.847
tors. eta vs tors. theta energy: -55.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -902.535978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.535978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.535978 (E_RNA)
where:
Base-Base interactions energy: -523.066
where: short stacking energy: -261.091
Base-Backbone interact. energy: 1.970
local terms energy: -381.440765
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -91.582
flat angles C4'-P-C4' energy: -90.241
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -44.373
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: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -560.164129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.164129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.164129 (E_RNA)
where:
Base-Base interactions energy: -241.137
where: short stacking energy: -136.655
Base-Backbone interact. energy: -2.405
local terms energy: -316.621865
where:
bonds (distance) C4'-P energy: -87.091
bonds (distance) P-C4' energy: -109.505
flat angles C4'-P-C4' energy: -97.848
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: 21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2364.966182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.966182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.966182 (E_RNA)
where:
Base-Base interactions energy: -1675.381
where: short stacking energy: -663.524
Base-Backbone interact. energy: -1.717
local terms energy: -687.867273
where:
bonds (distance) C4'-P energy: -127.839
bonds (distance) P-C4' energy: -126.985
flat angles C4'-P-C4' energy: -143.252
flat angles P-C4'-P energy: -87.306
tors. eta vs tors. theta energy: -202.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2258.525276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.525276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.525276 (E_RNA)
where:
Base-Base interactions energy: -1608.902
where: short stacking energy: -642.935
Base-Backbone interact. energy: 4.996
local terms energy: -654.619415
where:
bonds (distance) C4'-P energy: -113.376
bonds (distance) P-C4' energy: -122.617
flat angles C4'-P-C4' energy: -139.051
flat angles P-C4'-P energy: -97.569
tors. eta vs tors. theta energy: -182.006
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: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2178.461638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.461638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.461638 (E_RNA)
where:
Base-Base interactions energy: -1545.691
where: short stacking energy: -590.592
Base-Backbone interact. energy: -2.276
local terms energy: -630.494992
where:
bonds (distance) C4'-P energy: -121.937
bonds (distance) P-C4' energy: -113.297
flat angles C4'-P-C4' energy: -127.630
flat angles P-C4'-P energy: -95.888
tors. eta vs tors. theta energy: -171.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1988.977834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.977834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.977834 (E_RNA)
where:
Base-Base interactions energy: -1343.176
where: short stacking energy: -563.207
Base-Backbone interact. energy: -3.254
local terms energy: -642.547397
where:
bonds (distance) C4'-P energy: -126.423
bonds (distance) P-C4' energy: -121.581
flat angles C4'-P-C4' energy: -128.949
flat angles P-C4'-P energy: -99.437
tors. eta vs tors. theta energy: -166.157
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: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1908.164645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.164645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.164645 (E_RNA)
where:
Base-Base interactions energy: -1309.930
where: short stacking energy: -535.898
Base-Backbone interact. energy: 0.530
local terms energy: -598.765220
where:
bonds (distance) C4'-P energy: -108.137
bonds (distance) P-C4' energy: -115.611
flat angles C4'-P-C4' energy: -128.214
flat angles P-C4'-P energy: -90.852
tors. eta vs tors. theta energy: -155.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1706.803450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.803450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.803450 (E_RNA)
where:
Base-Base interactions energy: -1160.124
where: short stacking energy: -462.386
Base-Backbone interact. energy: -3.666
local terms energy: -543.013718
where:
bonds (distance) C4'-P energy: -102.350
bonds (distance) P-C4' energy: -127.937
flat angles C4'-P-C4' energy: -120.373
flat angles P-C4'-P energy: -71.686
tors. eta vs tors. theta energy: -120.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1459.192368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.192368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.192368 (E_RNA)
where:
Base-Base interactions energy: -1005.609
where: short stacking energy: -391.880
Base-Backbone interact. energy: 2.950
local terms energy: -456.532634
where:
bonds (distance) C4'-P energy: -90.525
bonds (distance) P-C4' energy: -111.733
flat angles C4'-P-C4' energy: -100.344
flat angles P-C4'-P energy: -59.050
tors. eta vs tors. theta energy: -94.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1143.312068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.312068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.312068 (E_RNA)
where:
Base-Base interactions energy: -701.816
where: short stacking energy: -332.583
Base-Backbone interact. energy: 14.239
local terms energy: -455.734872
where:
bonds (distance) C4'-P energy: -104.259
bonds (distance) P-C4' energy: -108.530
flat angles C4'-P-C4' energy: -116.112
flat angles P-C4'-P energy: -58.235
tors. eta vs tors. theta energy: -68.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -892.500492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.500492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.500492 (E_RNA)
where:
Base-Base interactions energy: -499.645
where: short stacking energy: -231.818
Base-Backbone interact. energy: -4.275
local terms energy: -388.579984
where:
bonds (distance) C4'-P energy: -94.082
bonds (distance) P-C4' energy: -98.560
flat angles C4'-P-C4' energy: -95.847
flat angles P-C4'-P energy: -55.476
tors. eta vs tors. theta energy: -44.614
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: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -610.079303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.079303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.079303 (E_RNA)
where:
Base-Base interactions energy: -276.550
where: short stacking energy: -177.667
Base-Backbone interact. energy: 3.873
local terms energy: -337.402510
where:
bonds (distance) C4'-P energy: -104.400
bonds (distance) P-C4' energy: -97.274
flat angles C4'-P-C4' energy: -98.351
flat angles P-C4'-P energy: -45.842
tors. eta vs tors. theta energy: 8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2376.587030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.587030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.587030 (E_RNA)
where:
Base-Base interactions energy: -1666.601
where: short stacking energy: -663.015
Base-Backbone interact. energy: -0.789
local terms energy: -709.197475
where:
bonds (distance) C4'-P energy: -130.776
bonds (distance) P-C4' energy: -118.516
flat angles C4'-P-C4' energy: -149.316
flat angles P-C4'-P energy: -107.659
tors. eta vs tors. theta energy: -202.931
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: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2271.650937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.650937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.650937 (E_RNA)
where:
Base-Base interactions energy: -1599.465
where: short stacking energy: -620.825
Base-Backbone interact. energy: 0.533
local terms energy: -672.718165
where:
bonds (distance) C4'-P energy: -129.531
bonds (distance) P-C4' energy: -127.157
flat angles C4'-P-C4' energy: -129.215
flat angles P-C4'-P energy: -106.365
tors. eta vs tors. theta energy: -180.450
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: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2130.859773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.859773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.859773 (E_RNA)
where:
Base-Base interactions energy: -1511.561
where: short stacking energy: -595.978
Base-Backbone interact. energy: -1.953
local terms energy: -617.345541
where:
bonds (distance) C4'-P energy: -101.233
bonds (distance) P-C4' energy: -122.548
flat angles C4'-P-C4' energy: -126.384
flat angles P-C4'-P energy: -91.534
tors. eta vs tors. theta energy: -175.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2027.261020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.261020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.261020 (E_RNA)
where:
Base-Base interactions energy: -1440.748
where: short stacking energy: -564.061
Base-Backbone interact. energy: -2.806
local terms energy: -583.706891
where:
bonds (distance) C4'-P energy: -111.800
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -121.526
flat angles P-C4'-P energy: -86.023
tors. eta vs tors. theta energy: -163.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1888.196846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.196846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.196846 (E_RNA)
where:
Base-Base interactions energy: -1294.016
where: short stacking energy: -506.160
Base-Backbone interact. energy: 0.789
local terms energy: -594.970195
where:
bonds (distance) C4'-P energy: -106.711
bonds (distance) P-C4' energy: -113.626
flat angles C4'-P-C4' energy: -135.371
flat angles P-C4'-P energy: -76.722
tors. eta vs tors. theta energy: -162.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1678.687360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.687360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.687360 (E_RNA)
where:
Base-Base interactions energy: -1145.014
where: short stacking energy: -455.032
Base-Backbone interact. energy: -1.492
local terms energy: -532.181399
where:
bonds (distance) C4'-P energy: -111.435
bonds (distance) P-C4' energy: -121.749
flat angles C4'-P-C4' energy: -111.235
flat angles P-C4'-P energy: -66.498
tors. eta vs tors. theta energy: -121.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1486.847641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.847641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.847641 (E_RNA)
where:
Base-Base interactions energy: -986.437
where: short stacking energy: -396.617
Base-Backbone interact. energy: 0.924
local terms energy: -501.334543
where:
bonds (distance) C4'-P energy: -97.185
bonds (distance) P-C4' energy: -112.864
flat angles C4'-P-C4' energy: -103.584
flat angles P-C4'-P energy: -79.730
tors. eta vs tors. theta energy: -107.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1113.953683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.953683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.953683 (E_RNA)
where:
Base-Base interactions energy: -678.074
where: short stacking energy: -313.421
Base-Backbone interact. energy: -3.737
local terms energy: -432.143670
where:
bonds (distance) C4'-P energy: -116.022
bonds (distance) P-C4' energy: -105.566
flat angles C4'-P-C4' energy: -113.297
flat angles P-C4'-P energy: -53.547
tors. eta vs tors. theta energy: -43.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -878.880501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.880501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.880501 (E_RNA)
where:
Base-Base interactions energy: -503.571
where: short stacking energy: -251.677
Base-Backbone interact. energy: 3.199
local terms energy: -378.508487
where:
bonds (distance) C4'-P energy: -105.901
bonds (distance) P-C4' energy: -104.658
flat angles C4'-P-C4' energy: -90.642
flat angles P-C4'-P energy: -49.360
tors. eta vs tors. theta energy: -27.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -611.417126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.417126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.417126 (E_RNA)
where:
Base-Base interactions energy: -270.511
where: short stacking energy: -147.884
Base-Backbone interact. energy: 1.117
local terms energy: -342.023609
where:
bonds (distance) C4'-P energy: -100.955
bonds (distance) P-C4' energy: -102.363
flat angles C4'-P-C4' energy: -88.712
flat angles P-C4'-P energy: -62.870
tors. eta vs tors. theta energy: 12.876
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: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2338.827681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.827681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.827681 (E_RNA)
where:
Base-Base interactions energy: -1652.639
where: short stacking energy: -644.935
Base-Backbone interact. energy: -4.148
local terms energy: -682.040191
where:
bonds (distance) C4'-P energy: -133.830
bonds (distance) P-C4' energy: -121.264
flat angles C4'-P-C4' energy: -143.231
flat angles P-C4'-P energy: -88.293
tors. eta vs tors. theta energy: -195.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2301.663204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.663204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.663204 (E_RNA)
where:
Base-Base interactions energy: -1648.208
where: short stacking energy: -646.018
Base-Backbone interact. energy: -2.099
local terms energy: -651.355839
where:
bonds (distance) C4'-P energy: -121.291
bonds (distance) P-C4' energy: -109.507
flat angles C4'-P-C4' energy: -150.744
flat angles P-C4'-P energy: -88.413
tors. eta vs tors. theta energy: -181.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2166.607349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.607349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.607349 (E_RNA)
where:
Base-Base interactions energy: -1517.613
where: short stacking energy: -584.286
Base-Backbone interact. energy: -3.145
local terms energy: -645.849515
where:
bonds (distance) C4'-P energy: -109.695
bonds (distance) P-C4' energy: -117.043
flat angles C4'-P-C4' energy: -143.369
flat angles P-C4'-P energy: -94.029
tors. eta vs tors. theta energy: -181.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2005.957849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.957849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.957849 (E_RNA)
where:
Base-Base interactions energy: -1382.559
where: short stacking energy: -546.635
Base-Backbone interact. energy: -0.034
local terms energy: -623.364866
where:
bonds (distance) C4'-P energy: -117.823
bonds (distance) P-C4' energy: -118.587
flat angles C4'-P-C4' energy: -126.212
flat angles P-C4'-P energy: -97.863
tors. eta vs tors. theta energy: -162.879
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: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1870.358839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.358839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.358839 (E_RNA)
where:
Base-Base interactions energy: -1263.494
where: short stacking energy: -508.145
Base-Backbone interact. energy: -2.580
local terms energy: -604.284408
where:
bonds (distance) C4'-P energy: -129.541
bonds (distance) P-C4' energy: -108.550
flat angles C4'-P-C4' energy: -122.415
flat angles P-C4'-P energy: -90.579
tors. eta vs tors. theta energy: -153.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1735.709461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.709461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.709461 (E_RNA)
where:
Base-Base interactions energy: -1152.343
where: short stacking energy: -449.931
Base-Backbone interact. energy: 0.512
local terms energy: -583.878309
where:
bonds (distance) C4'-P energy: -115.213
bonds (distance) P-C4' energy: -131.737
flat angles C4'-P-C4' energy: -134.037
flat angles P-C4'-P energy: -75.922
tors. eta vs tors. theta energy: -126.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1506.549404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.549404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.549404 (E_RNA)
where:
Base-Base interactions energy: -1013.817
where: short stacking energy: -412.388
Base-Backbone interact. energy: 3.099
local terms energy: -495.830957
where:
bonds (distance) C4'-P energy: -96.058
bonds (distance) P-C4' energy: -114.911
flat angles C4'-P-C4' energy: -108.740
flat angles P-C4'-P energy: -69.521
tors. eta vs tors. theta energy: -106.601
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: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1148.167663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.167663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.167663 (E_RNA)
where:
Base-Base interactions energy: -709.161
where: short stacking energy: -317.028
Base-Backbone interact. energy: 7.355
local terms energy: -446.360712
where:
bonds (distance) C4'-P energy: -98.860
bonds (distance) P-C4' energy: -119.870
flat angles C4'-P-C4' energy: -111.156
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -61.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -869.543182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.543182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.543182 (E_RNA)
where:
Base-Base interactions energy: -507.630
where: short stacking energy: -259.750
Base-Backbone interact. energy: -2.582
local terms energy: -359.331789
where:
bonds (distance) C4'-P energy: -93.665
bonds (distance) P-C4' energy: -102.480
flat angles C4'-P-C4' energy: -72.731
flat angles P-C4'-P energy: -56.567
tors. eta vs tors. theta energy: -33.888
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: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -585.817775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.817775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.817775 (E_RNA)
where:
Base-Base interactions energy: -272.183
where: short stacking energy: -126.496
Base-Backbone interact. energy: 2.319
local terms energy: -315.953248
where:
bonds (distance) C4'-P energy: -80.932
bonds (distance) P-C4' energy: -111.626
flat angles C4'-P-C4' energy: -90.751
flat angles P-C4'-P energy: -60.561
tors. eta vs tors. theta energy: 27.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2346.182998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.182998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.182998 (E_RNA)
where:
Base-Base interactions energy: -1672.695
where: short stacking energy: -655.467
Base-Backbone interact. energy: -0.233
local terms energy: -673.255320
where:
bonds (distance) C4'-P energy: -115.179
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -146.847
flat angles P-C4'-P energy: -92.545
tors. eta vs tors. theta energy: -192.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2310.324524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.324524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.324524 (E_RNA)
where:
Base-Base interactions energy: -1643.654
where: short stacking energy: -627.624
Base-Backbone interact. energy: 0.295
local terms energy: -666.965290
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -126.773
flat angles C4'-P-C4' energy: -139.471
flat angles P-C4'-P energy: -93.535
tors. eta vs tors. theta energy: -183.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2177.343117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.343117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.343117 (E_RNA)
where:
Base-Base interactions energy: -1531.134
where: short stacking energy: -610.989
Base-Backbone interact. energy: -2.278
local terms energy: -643.931504
where:
bonds (distance) C4'-P energy: -117.528
bonds (distance) P-C4' energy: -118.616
flat angles C4'-P-C4' energy: -136.680
flat angles P-C4'-P energy: -94.885
tors. eta vs tors. theta energy: -176.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1973.355304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.355304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.355304 (E_RNA)
where:
Base-Base interactions energy: -1367.565
where: short stacking energy: -547.263
Base-Backbone interact. energy: -1.087
local terms energy: -604.703045
where:
bonds (distance) C4'-P energy: -111.099
bonds (distance) P-C4' energy: -110.162
flat angles C4'-P-C4' energy: -137.281
flat angles P-C4'-P energy: -89.163
tors. eta vs tors. theta energy: -156.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1889.627797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.627797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.627797 (E_RNA)
where:
Base-Base interactions energy: -1283.823
where: short stacking energy: -520.989
Base-Backbone interact. energy: -2.238
local terms energy: -603.566536
where:
bonds (distance) C4'-P energy: -110.642
bonds (distance) P-C4' energy: -118.849
flat angles C4'-P-C4' energy: -123.360
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -157.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1705.321690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.321690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.321690 (E_RNA)
where:
Base-Base interactions energy: -1167.563
where: short stacking energy: -461.075
Base-Backbone interact. energy: -0.424
local terms energy: -537.335014
where:
bonds (distance) C4'-P energy: -100.820
bonds (distance) P-C4' energy: -104.822
flat angles C4'-P-C4' energy: -117.754
flat angles P-C4'-P energy: -84.845
tors. eta vs tors. theta energy: -129.095
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1500.687934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.687934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.687934 (E_RNA)
where:
Base-Base interactions energy: -982.671
where: short stacking energy: -381.805
Base-Backbone interact. energy: 4.287
local terms energy: -522.303401
where:
bonds (distance) C4'-P energy: -105.849
bonds (distance) P-C4' energy: -136.210
flat angles C4'-P-C4' energy: -121.108
flat angles P-C4'-P energy: -63.294
tors. eta vs tors. theta energy: -95.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1177.471348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.471348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.471348 (E_RNA)
where:
Base-Base interactions energy: -731.348
where: short stacking energy: -325.467
Base-Backbone interact. energy: 4.417
local terms energy: -450.540106
where:
bonds (distance) C4'-P energy: -107.396
bonds (distance) P-C4' energy: -108.813
flat angles C4'-P-C4' energy: -103.518
flat angles P-C4'-P energy: -63.298
tors. eta vs tors. theta energy: -67.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -861.106298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.106298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.106298 (E_RNA)
where:
Base-Base interactions energy: -492.301
where: short stacking energy: -234.053
Base-Backbone interact. energy: -2.303
local terms energy: -366.501457
where:
bonds (distance) C4'-P energy: -89.980
bonds (distance) P-C4' energy: -97.104
flat angles C4'-P-C4' energy: -90.505
flat angles P-C4'-P energy: -71.021
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -600.534712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.534712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.534712 (E_RNA)
where:
Base-Base interactions energy: -264.992
where: short stacking energy: -161.003
Base-Backbone interact. energy: -2.934
local terms energy: -332.608871
where:
bonds (distance) C4'-P energy: -101.217
bonds (distance) P-C4' energy: -114.442
flat angles C4'-P-C4' energy: -90.094
flat angles P-C4'-P energy: -42.333
tors. eta vs tors. theta energy: 15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2351.479671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.479671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.479671 (E_RNA)
where:
Base-Base interactions energy: -1664.361
where: short stacking energy: -661.897
Base-Backbone interact. energy: 1.682
local terms energy: -688.800964
where:
bonds (distance) C4'-P energy: -123.256
bonds (distance) P-C4' energy: -120.127
flat angles C4'-P-C4' energy: -141.332
flat angles P-C4'-P energy: -99.768
tors. eta vs tors. theta energy: -204.318
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: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2286.612768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.612768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.612768 (E_RNA)
where:
Base-Base interactions energy: -1613.083
where: short stacking energy: -615.002
Base-Backbone interact. energy: 0.160
local terms energy: -673.689626
where:
bonds (distance) C4'-P energy: -119.849
bonds (distance) P-C4' energy: -116.099
flat angles C4'-P-C4' energy: -144.202
flat angles P-C4'-P energy: -109.519
tors. eta vs tors. theta energy: -184.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2195.554763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.554763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.554763 (E_RNA)
where:
Base-Base interactions energy: -1557.151
where: short stacking energy: -609.519
Base-Backbone interact. energy: -2.325
local terms energy: -636.078946
where:
bonds (distance) C4'-P energy: -127.321
bonds (distance) P-C4' energy: -109.037
flat angles C4'-P-C4' energy: -137.911
flat angles P-C4'-P energy: -92.596
tors. eta vs tors. theta energy: -169.214
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: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1994.308663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.308663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.308663 (E_RNA)
where:
Base-Base interactions energy: -1389.060
where: short stacking energy: -563.083
Base-Backbone interact. energy: -1.951
local terms energy: -603.297436
where:
bonds (distance) C4'-P energy: -112.245
bonds (distance) P-C4' energy: -109.032
flat angles C4'-P-C4' energy: -125.459
flat angles P-C4'-P energy: -88.453
tors. eta vs tors. theta energy: -168.109
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: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1877.495744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.495744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.495744 (E_RNA)
where:
Base-Base interactions energy: -1264.645
where: short stacking energy: -530.529
Base-Backbone interact. energy: -2.862
local terms energy: -609.989235
where:
bonds (distance) C4'-P energy: -109.940
bonds (distance) P-C4' energy: -114.387
flat angles C4'-P-C4' energy: -129.732
flat angles P-C4'-P energy: -91.134
tors. eta vs tors. theta energy: -164.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1710.615976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.615976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.615976 (E_RNA)
where:
Base-Base interactions energy: -1166.509
where: short stacking energy: -476.834
Base-Backbone interact. energy: -2.533
local terms energy: -541.574031
where:
bonds (distance) C4'-P energy: -98.878
bonds (distance) P-C4' energy: -120.937
flat angles C4'-P-C4' energy: -112.069
flat angles P-C4'-P energy: -88.654
tors. eta vs tors. theta energy: -121.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1488.523167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.523167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.523167 (E_RNA)
where:
Base-Base interactions energy: -1001.919
where: short stacking energy: -396.407
Base-Backbone interact. energy: 2.631
local terms energy: -489.235168
where:
bonds (distance) C4'-P energy: -97.701
bonds (distance) P-C4' energy: -101.006
flat angles C4'-P-C4' energy: -124.666
flat angles P-C4'-P energy: -70.226
tors. eta vs tors. theta energy: -95.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1213.023017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.023017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.023017 (E_RNA)
where:
Base-Base interactions energy: -780.205
where: short stacking energy: -327.534
Base-Backbone interact. energy: -3.800
local terms energy: -429.017876
where:
bonds (distance) C4'-P energy: -101.590
bonds (distance) P-C4' energy: -86.781
flat angles C4'-P-C4' energy: -107.043
flat angles P-C4'-P energy: -59.090
tors. eta vs tors. theta energy: -74.514
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: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -874.822537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.822537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.822537 (E_RNA)
where:
Base-Base interactions energy: -504.099
where: short stacking energy: -218.187
Base-Backbone interact. energy: 3.425
local terms energy: -374.149388
where:
bonds (distance) C4'-P energy: -88.833
bonds (distance) P-C4' energy: -109.082
flat angles C4'-P-C4' energy: -101.453
flat angles P-C4'-P energy: -65.056
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -548.273656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.273656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.273656 (E_RNA)
where:
Base-Base interactions energy: -231.788
where: short stacking energy: -146.170
Base-Backbone interact. energy: 2.936
local terms energy: -319.421650
where:
bonds (distance) C4'-P energy: -104.712
bonds (distance) P-C4' energy: -98.500
flat angles C4'-P-C4' energy: -101.053
flat angles P-C4'-P energy: -39.992
tors. eta vs tors. theta energy: 24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2310.650150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.650150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.650150 (E_RNA)
where:
Base-Base interactions energy: -1628.258
where: short stacking energy: -627.977
Base-Backbone interact. energy: -0.145
local terms energy: -682.246737
where:
bonds (distance) C4'-P energy: -125.127
bonds (distance) P-C4' energy: -136.339
flat angles C4'-P-C4' energy: -128.083
flat angles P-C4'-P energy: -99.669
tors. eta vs tors. theta energy: -193.030
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: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2299.153053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.153053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.153053 (E_RNA)
where:
Base-Base interactions energy: -1642.282
where: short stacking energy: -637.970
Base-Backbone interact. energy: -1.278
local terms energy: -655.593087
where:
bonds (distance) C4'-P energy: -128.319
bonds (distance) P-C4' energy: -114.420
flat angles C4'-P-C4' energy: -140.859
flat angles P-C4'-P energy: -89.109
tors. eta vs tors. theta energy: -182.886
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: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2167.977937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.977937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.977937 (E_RNA)
where:
Base-Base interactions energy: -1519.611
where: short stacking energy: -591.480
Base-Backbone interact. energy: -1.496
local terms energy: -646.870154
where:
bonds (distance) C4'-P energy: -122.455
bonds (distance) P-C4' energy: -121.032
flat angles C4'-P-C4' energy: -136.131
flat angles P-C4'-P energy: -96.087
tors. eta vs tors. theta energy: -171.165
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: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1985.649230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.649230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.649230 (E_RNA)
where:
Base-Base interactions energy: -1352.868
where: short stacking energy: -545.634
Base-Backbone interact. energy: -3.413
local terms energy: -629.367658
where:
bonds (distance) C4'-P energy: -126.648
bonds (distance) P-C4' energy: -118.690
flat angles C4'-P-C4' energy: -139.250
flat angles P-C4'-P energy: -82.901
tors. eta vs tors. theta energy: -161.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1857.157243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.157243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.157243 (E_RNA)
where:
Base-Base interactions energy: -1277.768
where: short stacking energy: -499.345
Base-Backbone interact. energy: -0.076
local terms energy: -579.313449
where:
bonds (distance) C4'-P energy: -115.249
bonds (distance) P-C4' energy: -115.645
flat angles C4'-P-C4' energy: -116.605
flat angles P-C4'-P energy: -80.157
tors. eta vs tors. theta energy: -151.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1689.364240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.364240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.364240 (E_RNA)
where:
Base-Base interactions energy: -1142.350
where: short stacking energy: -448.546
Base-Backbone interact. energy: -2.731
local terms energy: -544.282997
where:
bonds (distance) C4'-P energy: -97.639
bonds (distance) P-C4' energy: -113.659
flat angles C4'-P-C4' energy: -121.077
flat angles P-C4'-P energy: -77.575
tors. eta vs tors. theta energy: -134.333
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: 304
Temperature: 1.200000
Total energy: -1480.039231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.039231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.039231 (E_RNA)
where:
Base-Base interactions energy: -993.591
where: short stacking energy: -437.719
Base-Backbone interact. energy: 3.327
local terms energy: -489.775766
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -103.867
flat angles C4'-P-C4' energy: -109.744
flat angles P-C4'-P energy: -67.341
tors. eta vs tors. theta energy: -120.302
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: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1154.996376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.996376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.996376 (E_RNA)
where:
Base-Base interactions energy: -709.137
where: short stacking energy: -321.483
Base-Backbone interact. energy: -0.746
local terms energy: -445.113266
where:
bonds (distance) C4'-P energy: -107.237
bonds (distance) P-C4' energy: -96.683
flat angles C4'-P-C4' energy: -102.861
flat angles P-C4'-P energy: -62.410
tors. eta vs tors. theta energy: -75.922
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: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -887.753818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.753818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.753818 (E_RNA)
where:
Base-Base interactions energy: -492.375
where: short stacking energy: -224.219
Base-Backbone interact. energy: -3.288
local terms energy: -392.090954
where:
bonds (distance) C4'-P energy: -113.240
bonds (distance) P-C4' energy: -106.177
flat angles C4'-P-C4' energy: -99.278
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -547.190665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.190665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.190665 (E_RNA)
where:
Base-Base interactions energy: -215.569
where: short stacking energy: -141.770
Base-Backbone interact. energy: 0.846
local terms energy: -332.467670
where:
bonds (distance) C4'-P energy: -84.043
bonds (distance) P-C4' energy: -108.539
flat angles C4'-P-C4' energy: -96.611
flat angles P-C4'-P energy: -60.014
tors. eta vs tors. theta energy: 16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2346.455142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.455142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.455142 (E_RNA)
where:
Base-Base interactions energy: -1628.314
where: short stacking energy: -653.007
Base-Backbone interact. energy: -1.701
local terms energy: -716.439832
where:
bonds (distance) C4'-P energy: -133.595
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -150.127
flat angles P-C4'-P energy: -108.821
tors. eta vs tors. theta energy: -190.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2287.780664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.780664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.780664 (E_RNA)
where:
Base-Base interactions energy: -1625.717
where: short stacking energy: -620.353
Base-Backbone interact. energy: -0.227
local terms energy: -661.836038
where:
bonds (distance) C4'-P energy: -122.001
bonds (distance) P-C4' energy: -124.943
flat angles C4'-P-C4' energy: -146.971
flat angles P-C4'-P energy: -87.698
tors. eta vs tors. theta energy: -180.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2119.893629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.893629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.893629 (E_RNA)
where:
Base-Base interactions energy: -1476.272
where: short stacking energy: -584.368
Base-Backbone interact. energy: -3.066
local terms energy: -640.556030
where:
bonds (distance) C4'-P energy: -106.795
bonds (distance) P-C4' energy: -124.467
flat angles C4'-P-C4' energy: -142.569
flat angles P-C4'-P energy: -94.393
tors. eta vs tors. theta energy: -172.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1964.721403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.721403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.721403 (E_RNA)
where:
Base-Base interactions energy: -1357.747
where: short stacking energy: -527.051
Base-Backbone interact. energy: -3.511
local terms energy: -603.464065
where:
bonds (distance) C4'-P energy: -109.112
bonds (distance) P-C4' energy: -129.018
flat angles C4'-P-C4' energy: -123.276
flat angles P-C4'-P energy: -79.550
tors. eta vs tors. theta energy: -162.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1869.397883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.397883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.397883 (E_RNA)
where:
Base-Base interactions energy: -1285.367
where: short stacking energy: -493.743
Base-Backbone interact. energy: 9.086
local terms energy: -593.116664
where:
bonds (distance) C4'-P energy: -110.615
bonds (distance) P-C4' energy: -114.266
flat angles C4'-P-C4' energy: -130.974
flat angles P-C4'-P energy: -86.061
tors. eta vs tors. theta energy: -151.202
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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1703.369193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.369193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.369193 (E_RNA)
where:
Base-Base interactions energy: -1164.946
where: short stacking energy: -470.833
Base-Backbone interact. energy: -0.066
local terms energy: -538.357178
where:
bonds (distance) C4'-P energy: -104.903
bonds (distance) P-C4' energy: -119.719
flat angles C4'-P-C4' energy: -123.252
flat angles P-C4'-P energy: -65.854
tors. eta vs tors. theta energy: -124.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1472.524255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.524255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.524255 (E_RNA)
where:
Base-Base interactions energy: -999.591
where: short stacking energy: -396.252
Base-Backbone interact. energy: 3.641
local terms energy: -476.573701
where:
bonds (distance) C4'-P energy: -86.840
bonds (distance) P-C4' energy: -106.602
flat angles C4'-P-C4' energy: -128.343
flat angles P-C4'-P energy: -63.434
tors. eta vs tors. theta energy: -91.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1211.296359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.296359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.296359 (E_RNA)
where:
Base-Base interactions energy: -733.148
where: short stacking energy: -320.539
Base-Backbone interact. energy: -1.637
local terms energy: -476.511592
where:
bonds (distance) C4'-P energy: -106.458
bonds (distance) P-C4' energy: -115.295
flat angles C4'-P-C4' energy: -106.108
flat angles P-C4'-P energy: -81.153
tors. eta vs tors. theta energy: -67.498
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: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -895.811825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.811825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.811825 (E_RNA)
where:
Base-Base interactions energy: -504.897
where: short stacking energy: -229.268
Base-Backbone interact. energy: -2.128
local terms energy: -388.786863
where:
bonds (distance) C4'-P energy: -112.740
bonds (distance) P-C4' energy: -101.606
flat angles C4'-P-C4' energy: -98.800
flat angles P-C4'-P energy: -46.035
tors. eta vs tors. theta energy: -29.606
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: 305
Temperature: 1.350000
Total energy: -565.306541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.306541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.306541 (E_RNA)
where:
Base-Base interactions energy: -256.972
where: short stacking energy: -139.998
Base-Backbone interact. energy: 1.159
local terms energy: -309.493444
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -94.500
flat angles C4'-P-C4' energy: -79.221
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: 18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2326.280122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.280122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.280122 (E_RNA)
where:
Base-Base interactions energy: -1645.854
where: short stacking energy: -646.442
Base-Backbone interact. energy: -0.403
local terms energy: -680.023351
where:
bonds (distance) C4'-P energy: -122.742
bonds (distance) P-C4' energy: -128.236
flat angles C4'-P-C4' energy: -139.326
flat angles P-C4'-P energy: -96.952
tors. eta vs tors. theta energy: -192.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2269.791238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.791238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.791238 (E_RNA)
where:
Base-Base interactions energy: -1608.925
where: short stacking energy: -612.551
Base-Backbone interact. energy: 0.912
local terms energy: -661.778596
where:
bonds (distance) C4'-P energy: -131.707
bonds (distance) P-C4' energy: -115.516
flat angles C4'-P-C4' energy: -143.086
flat angles P-C4'-P energy: -88.712
tors. eta vs tors. theta energy: -182.757
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: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2157.244417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.244417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.244417 (E_RNA)
where:
Base-Base interactions energy: -1514.760
where: short stacking energy: -578.938
Base-Backbone interact. energy: -6.716
local terms energy: -635.767803
where:
bonds (distance) C4'-P energy: -111.166
bonds (distance) P-C4' energy: -134.209
flat angles C4'-P-C4' energy: -136.912
flat angles P-C4'-P energy: -84.775
tors. eta vs tors. theta energy: -168.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1966.960869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.960869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.960869 (E_RNA)
where:
Base-Base interactions energy: -1361.239
where: short stacking energy: -539.391
Base-Backbone interact. energy: -5.645
local terms energy: -600.076646
where:
bonds (distance) C4'-P energy: -115.651
bonds (distance) P-C4' energy: -125.610
flat angles C4'-P-C4' energy: -116.817
flat angles P-C4'-P energy: -84.134
tors. eta vs tors. theta energy: -157.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1890.986483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.986483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.986483 (E_RNA)
where:
Base-Base interactions energy: -1292.160
where: short stacking energy: -531.437
Base-Backbone interact. energy: -0.339
local terms energy: -598.487525
where:
bonds (distance) C4'-P energy: -111.329
bonds (distance) P-C4' energy: -111.691
flat angles C4'-P-C4' energy: -125.254
flat angles P-C4'-P energy: -88.484
tors. eta vs tors. theta energy: -161.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1736.407862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.407862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.407862 (E_RNA)
where:
Base-Base interactions energy: -1155.508
where: short stacking energy: -489.789
Base-Backbone interact. energy: -2.185
local terms energy: -578.714312
where:
bonds (distance) C4'-P energy: -108.705
bonds (distance) P-C4' energy: -115.463
flat angles C4'-P-C4' energy: -128.083
flat angles P-C4'-P energy: -83.285
tors. eta vs tors. theta energy: -143.178
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: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1497.018499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.018499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.018499 (E_RNA)
where:
Base-Base interactions energy: -1005.449
where: short stacking energy: -409.582
Base-Backbone interact. energy: -2.335
local terms energy: -489.234177
where:
bonds (distance) C4'-P energy: -96.634
bonds (distance) P-C4' energy: -104.838
flat angles C4'-P-C4' energy: -120.124
flat angles P-C4'-P energy: -68.311
tors. eta vs tors. theta energy: -99.326
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: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1173.894453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.894453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.894453 (E_RNA)
where:
Base-Base interactions energy: -707.540
where: short stacking energy: -331.149
Base-Backbone interact. energy: 1.290
local terms energy: -467.645189
where:
bonds (distance) C4'-P energy: -109.494
bonds (distance) P-C4' energy: -102.450
flat angles C4'-P-C4' energy: -97.687
flat angles P-C4'-P energy: -84.163
tors. eta vs tors. theta energy: -73.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -884.925123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.925123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.925123 (E_RNA)
where:
Base-Base interactions energy: -483.678
where: short stacking energy: -237.084
Base-Backbone interact. energy: 2.515
local terms energy: -403.762611
where:
bonds (distance) C4'-P energy: -100.362
bonds (distance) P-C4' energy: -106.999
flat angles C4'-P-C4' energy: -106.434
flat angles P-C4'-P energy: -60.918
tors. eta vs tors. theta energy: -29.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -589.035200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.035200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.035200 (E_RNA)
where:
Base-Base interactions energy: -263.702
where: short stacking energy: -156.173
Base-Backbone interact. energy: 2.192
local terms energy: -327.525652
where:
bonds (distance) C4'-P energy: -97.423
bonds (distance) P-C4' energy: -85.021
flat angles C4'-P-C4' energy: -104.550
flat angles P-C4'-P energy: -54.038
tors. eta vs tors. theta energy: 13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2327.933464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.933464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.933464 (E_RNA)
where:
Base-Base interactions energy: -1613.452
where: short stacking energy: -651.926
Base-Backbone interact. energy: 2.779
local terms energy: -717.261155
where:
bonds (distance) C4'-P energy: -135.302
bonds (distance) P-C4' energy: -135.122
flat angles C4'-P-C4' energy: -144.377
flat angles P-C4'-P energy: -103.641
tors. eta vs tors. theta energy: -198.819
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: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2250.666840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.666840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.666840 (E_RNA)
where:
Base-Base interactions energy: -1613.171
where: short stacking energy: -629.952
Base-Backbone interact. energy: -1.928
local terms energy: -635.568295
where:
bonds (distance) C4'-P energy: -112.290
bonds (distance) P-C4' energy: -129.409
flat angles C4'-P-C4' energy: -124.780
flat angles P-C4'-P energy: -83.368
tors. eta vs tors. theta energy: -185.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2180.430047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.430047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.430047 (E_RNA)
where:
Base-Base interactions energy: -1551.221
where: short stacking energy: -581.109
Base-Backbone interact. energy: 1.654
local terms energy: -630.862830
where:
bonds (distance) C4'-P energy: -119.284
bonds (distance) P-C4' energy: -117.910
flat angles C4'-P-C4' energy: -136.047
flat angles P-C4'-P energy: -87.800
tors. eta vs tors. theta energy: -169.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2031.273758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.273758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.273758 (E_RNA)
where:
Base-Base interactions energy: -1413.640
where: short stacking energy: -551.352
Base-Backbone interact. energy: -5.941
local terms energy: -611.693123
where:
bonds (distance) C4'-P energy: -105.867
bonds (distance) P-C4' energy: -124.240
flat angles C4'-P-C4' energy: -134.589
flat angles P-C4'-P energy: -75.240
tors. eta vs tors. theta energy: -171.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1891.876433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.876433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.876433 (E_RNA)
where:
Base-Base interactions energy: -1305.971
where: short stacking energy: -503.624
Base-Backbone interact. energy: 4.295
local terms energy: -590.200595
where:
bonds (distance) C4'-P energy: -101.780
bonds (distance) P-C4' energy: -118.766
flat angles C4'-P-C4' energy: -140.456
flat angles P-C4'-P energy: -72.394
tors. eta vs tors. theta energy: -156.804
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: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1703.708858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.708858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.708858 (E_RNA)
where:
Base-Base interactions energy: -1164.629
where: short stacking energy: -463.423
Base-Backbone interact. energy: -0.634
local terms energy: -538.446352
where:
bonds (distance) C4'-P energy: -101.011
bonds (distance) P-C4' energy: -118.369
flat angles C4'-P-C4' energy: -119.785
flat angles P-C4'-P energy: -69.654
tors. eta vs tors. theta energy: -129.627
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: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1448.730793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.730793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.730793 (E_RNA)
where:
Base-Base interactions energy: -936.975
where: short stacking energy: -373.489
Base-Backbone interact. energy: -0.961
local terms energy: -510.794422
where:
bonds (distance) C4'-P energy: -115.853
bonds (distance) P-C4' energy: -113.146
flat angles C4'-P-C4' energy: -113.515
flat angles P-C4'-P energy: -74.557
tors. eta vs tors. theta energy: -93.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1120.431730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.431730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.431730 (E_RNA)
where:
Base-Base interactions energy: -668.689
where: short stacking energy: -289.751
Base-Backbone interact. energy: -3.514
local terms energy: -448.228400
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -128.470
flat angles C4'-P-C4' energy: -102.379
flat angles P-C4'-P energy: -54.932
tors. eta vs tors. theta energy: -52.375
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: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -875.676365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.676365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.676365 (E_RNA)
where:
Base-Base interactions energy: -484.204
where: short stacking energy: -230.173
Base-Backbone interact. energy: -0.820
local terms energy: -390.652045
where:
bonds (distance) C4'-P energy: -102.533
bonds (distance) P-C4' energy: -112.424
flat angles C4'-P-C4' energy: -98.593
flat angles P-C4'-P energy: -61.164
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -573.402043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.402043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.402043 (E_RNA)
where:
Base-Base interactions energy: -247.225
where: short stacking energy: -165.391
Base-Backbone interact. energy: 4.870
local terms energy: -331.047428
where:
bonds (distance) C4'-P energy: -93.665
bonds (distance) P-C4' energy: -99.221
flat angles C4'-P-C4' energy: -99.644
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: 9.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2366.585264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.585264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.585264 (E_RNA)
where:
Base-Base interactions energy: -1653.102
where: short stacking energy: -661.663
Base-Backbone interact. energy: -2.210
local terms energy: -711.273771
where:
bonds (distance) C4'-P energy: -129.996
bonds (distance) P-C4' energy: -130.261
flat angles C4'-P-C4' energy: -157.219
flat angles P-C4'-P energy: -89.757
tors. eta vs tors. theta energy: -204.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2292.037574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.037574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.037574 (E_RNA)
where:
Base-Base interactions energy: -1630.379
where: short stacking energy: -628.725
Base-Backbone interact. energy: 4.161
local terms energy: -665.819544
where:
bonds (distance) C4'-P energy: -124.364
bonds (distance) P-C4' energy: -119.478
flat angles C4'-P-C4' energy: -140.152
flat angles P-C4'-P energy: -102.764
tors. eta vs tors. theta energy: -179.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2202.272074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.272074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.272074 (E_RNA)
where:
Base-Base interactions energy: -1556.824
where: short stacking energy: -599.719
Base-Backbone interact. energy: -4.771
local terms energy: -640.677650
where:
bonds (distance) C4'-P energy: -114.242
bonds (distance) P-C4' energy: -124.610
flat angles C4'-P-C4' energy: -123.480
flat angles P-C4'-P energy: -96.145
tors. eta vs tors. theta energy: -182.200
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: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2000.829207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.829207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.829207 (E_RNA)
where:
Base-Base interactions energy: -1384.898
where: short stacking energy: -566.297
Base-Backbone interact. energy: -4.025
local terms energy: -611.905805
where:
bonds (distance) C4'-P energy: -102.822
bonds (distance) P-C4' energy: -125.211
flat angles C4'-P-C4' energy: -130.470
flat angles P-C4'-P energy: -87.489
tors. eta vs tors. theta energy: -165.913
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: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1918.606582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.606582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.606582 (E_RNA)
where:
Base-Base interactions energy: -1337.440
where: short stacking energy: -539.368
Base-Backbone interact. energy: 0.370
local terms energy: -581.536850
where:
bonds (distance) C4'-P energy: -110.489
bonds (distance) P-C4' energy: -107.916
flat angles C4'-P-C4' energy: -120.653
flat angles P-C4'-P energy: -79.379
tors. eta vs tors. theta energy: -163.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1684.065379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.065379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.065379 (E_RNA)
where:
Base-Base interactions energy: -1128.659
where: short stacking energy: -471.267
Base-Backbone interact. energy: 2.010
local terms energy: -557.415694
where:
bonds (distance) C4'-P energy: -109.709
bonds (distance) P-C4' energy: -110.861
flat angles C4'-P-C4' energy: -123.240
flat angles P-C4'-P energy: -85.585
tors. eta vs tors. theta energy: -128.021
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: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1391.913330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.913330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.913330 (E_RNA)
where:
Base-Base interactions energy: -907.882
where: short stacking energy: -376.026
Base-Backbone interact. energy: -2.899
local terms energy: -481.131766
where:
bonds (distance) C4'-P energy: -104.969
bonds (distance) P-C4' energy: -100.741
flat angles C4'-P-C4' energy: -112.956
flat angles P-C4'-P energy: -70.319
tors. eta vs tors. theta energy: -92.147
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: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1125.139206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.139206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.139206 (E_RNA)
where:
Base-Base interactions energy: -660.981
where: short stacking energy: -276.590
Base-Backbone interact. energy: 2.520
local terms energy: -466.677771
where:
bonds (distance) C4'-P energy: -111.059
bonds (distance) P-C4' energy: -113.151
flat angles C4'-P-C4' energy: -112.805
flat angles P-C4'-P energy: -71.245
tors. eta vs tors. theta energy: -58.418
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: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -907.134367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.134367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.134367 (E_RNA)
where:
Base-Base interactions energy: -513.242
where: short stacking energy: -244.614
Base-Backbone interact. energy: -0.327
local terms energy: -393.565510
where:
bonds (distance) C4'-P energy: -99.041
bonds (distance) P-C4' energy: -104.937
flat angles C4'-P-C4' energy: -100.706
flat angles P-C4'-P energy: -61.710
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -547.956407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.956407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.956407 (E_RNA)
where:
Base-Base interactions energy: -217.614
where: short stacking energy: -132.293
Base-Backbone interact. energy: -0.657
local terms energy: -329.685674
where:
bonds (distance) C4'-P energy: -85.331
bonds (distance) P-C4' energy: -115.269
flat angles C4'-P-C4' energy: -91.668
flat angles P-C4'-P energy: -53.541
tors. eta vs tors. theta energy: 16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2371.019592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.019592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.019592 (E_RNA)
where:
Base-Base interactions energy: -1689.789
where: short stacking energy: -667.511
Base-Backbone interact. energy: -1.128
local terms energy: -680.102683
where:
bonds (distance) C4'-P energy: -130.864
bonds (distance) P-C4' energy: -117.557
flat angles C4'-P-C4' energy: -138.660
flat angles P-C4'-P energy: -94.667
tors. eta vs tors. theta energy: -198.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2303.598203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.598203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.598203 (E_RNA)
where:
Base-Base interactions energy: -1654.182
where: short stacking energy: -624.620
Base-Backbone interact. energy: -0.661
local terms energy: -648.754741
where:
bonds (distance) C4'-P energy: -121.613
bonds (distance) P-C4' energy: -125.274
flat angles C4'-P-C4' energy: -139.610
flat angles P-C4'-P energy: -83.724
tors. eta vs tors. theta energy: -178.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2168.905028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.905028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.905028 (E_RNA)
where:
Base-Base interactions energy: -1528.962
where: short stacking energy: -576.111
Base-Backbone interact. energy: -2.771
local terms energy: -637.171978
where:
bonds (distance) C4'-P energy: -132.365
bonds (distance) P-C4' energy: -119.466
flat angles C4'-P-C4' energy: -129.605
flat angles P-C4'-P energy: -81.470
tors. eta vs tors. theta energy: -174.266
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: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2050.456549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.456549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.456549 (E_RNA)
where:
Base-Base interactions energy: -1436.807
where: short stacking energy: -565.922
Base-Backbone interact. energy: 4.961
local terms energy: -618.609924
where:
bonds (distance) C4'-P energy: -115.999
bonds (distance) P-C4' energy: -113.218
flat angles C4'-P-C4' energy: -140.870
flat angles P-C4'-P energy: -81.538
tors. eta vs tors. theta energy: -166.985
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: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1868.260116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.260116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.260116 (E_RNA)
where:
Base-Base interactions energy: -1314.306
where: short stacking energy: -526.651
Base-Backbone interact. energy: -1.833
local terms energy: -552.120928
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -115.915
flat angles C4'-P-C4' energy: -119.196
flat angles P-C4'-P energy: -72.518
tors. eta vs tors. theta energy: -146.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1634.327536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.327536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.327536 (E_RNA)
where:
Base-Base interactions energy: -1087.880
where: short stacking energy: -435.067
Base-Backbone interact. energy: -2.083
local terms energy: -544.365448
where:
bonds (distance) C4'-P energy: -111.081
bonds (distance) P-C4' energy: -118.602
flat angles C4'-P-C4' energy: -110.343
flat angles P-C4'-P energy: -83.017
tors. eta vs tors. theta energy: -121.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1384.557532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.557532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.557532 (E_RNA)
where:
Base-Base interactions energy: -920.541
where: short stacking energy: -385.277
Base-Backbone interact. energy: 1.882
local terms energy: -465.898489
where:
bonds (distance) C4'-P energy: -90.817
bonds (distance) P-C4' energy: -108.826
flat angles C4'-P-C4' energy: -101.238
flat angles P-C4'-P energy: -70.792
tors. eta vs tors. theta energy: -94.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1199.449937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.449937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.449937 (E_RNA)
where:
Base-Base interactions energy: -733.816
where: short stacking energy: -313.151
Base-Backbone interact. energy: -2.682
local terms energy: -462.951777
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -111.322
flat angles C4'-P-C4' energy: -95.515
flat angles P-C4'-P energy: -78.880
tors. eta vs tors. theta energy: -72.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -907.389284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.389284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.389284 (E_RNA)
where:
Base-Base interactions energy: -511.445
where: short stacking energy: -252.136
Base-Backbone interact. energy: -0.448
local terms energy: -395.497015
where:
bonds (distance) C4'-P energy: -107.747
bonds (distance) P-C4' energy: -112.475
flat angles C4'-P-C4' energy: -83.585
flat angles P-C4'-P energy: -67.527
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -611.520371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.520371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.520371 (E_RNA)
where:
Base-Base interactions energy: -274.799
where: short stacking energy: -155.390
Base-Backbone interact. energy: 4.101
local terms energy: -340.822189
where:
bonds (distance) C4'-P energy: -111.522
bonds (distance) P-C4' energy: -105.173
flat angles C4'-P-C4' energy: -92.379
flat angles P-C4'-P energy: -46.878
tors. eta vs tors. theta energy: 15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2360.649422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.649422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.649422 (E_RNA)
where:
Base-Base interactions energy: -1658.880
where: short stacking energy: -653.022
Base-Backbone interact. energy: -0.452
local terms energy: -701.317819
where:
bonds (distance) C4'-P energy: -116.327
bonds (distance) P-C4' energy: -139.959
flat angles C4'-P-C4' energy: -139.831
flat angles P-C4'-P energy: -95.479
tors. eta vs tors. theta energy: -209.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2301.184623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.184623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.184623 (E_RNA)
where:
Base-Base interactions energy: -1668.675
where: short stacking energy: -627.516
Base-Backbone interact. energy: 8.021
local terms energy: -640.530062
where:
bonds (distance) C4'-P energy: -101.926
bonds (distance) P-C4' energy: -122.989
flat angles C4'-P-C4' energy: -140.853
flat angles P-C4'-P energy: -90.372
tors. eta vs tors. theta energy: -184.389
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: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2163.655854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.655854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.655854 (E_RNA)
where:
Base-Base interactions energy: -1519.143
where: short stacking energy: -590.187
Base-Backbone interact. energy: -2.579
local terms energy: -641.934477
where:
bonds (distance) C4'-P energy: -120.139
bonds (distance) P-C4' energy: -114.325
flat angles C4'-P-C4' energy: -141.936
flat angles P-C4'-P energy: -86.155
tors. eta vs tors. theta energy: -179.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2013.080865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.080865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.080865 (E_RNA)
where:
Base-Base interactions energy: -1392.185
where: short stacking energy: -561.895
Base-Backbone interact. energy: -0.468
local terms energy: -620.427327
where:
bonds (distance) C4'-P energy: -115.519
bonds (distance) P-C4' energy: -119.048
flat angles C4'-P-C4' energy: -134.315
flat angles P-C4'-P energy: -81.625
tors. eta vs tors. theta energy: -169.921
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: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1901.450774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.450774 (E_RNA)
where:
Base-Base interactions energy: -1290.540
where: short stacking energy: -517.529
Base-Backbone interact. energy: -0.596
local terms energy: -610.314434
where:
bonds (distance) C4'-P energy: -112.277
bonds (distance) P-C4' energy: -119.226
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -77.986
tors. eta vs tors. theta energy: -171.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1703.072358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.072358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.072358 (E_RNA)
where:
Base-Base interactions energy: -1184.470
where: short stacking energy: -471.620
Base-Backbone interact. energy: 1.749
local terms energy: -520.351383
where:
bonds (distance) C4'-P energy: -105.154
bonds (distance) P-C4' energy: -90.832
flat angles C4'-P-C4' energy: -115.108
flat angles P-C4'-P energy: -75.637
tors. eta vs tors. theta energy: -133.620
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: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1317.473050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.473050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.473050 (E_RNA)
where:
Base-Base interactions energy: -884.256
where: short stacking energy: -371.828
Base-Backbone interact. energy: 3.560
local terms energy: -436.777148
where:
bonds (distance) C4'-P energy: -85.159
bonds (distance) P-C4' energy: -101.659
flat angles C4'-P-C4' energy: -94.054
flat angles P-C4'-P energy: -78.029
tors. eta vs tors. theta energy: -77.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1165.531944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.531944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.531944 (E_RNA)
where:
Base-Base interactions energy: -706.574
where: short stacking energy: -307.779
Base-Backbone interact. energy: -0.647
local terms energy: -458.311182
where:
bonds (distance) C4'-P energy: -105.790
bonds (distance) P-C4' energy: -125.303
flat angles C4'-P-C4' energy: -104.391
flat angles P-C4'-P energy: -66.039
tors. eta vs tors. theta energy: -56.788
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: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -886.699659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.699659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.699659 (E_RNA)
where:
Base-Base interactions energy: -500.726
where: short stacking energy: -227.567
Base-Backbone interact. energy: 0.490
local terms energy: -386.463626
where:
bonds (distance) C4'-P energy: -104.878
bonds (distance) P-C4' energy: -112.653
flat angles C4'-P-C4' energy: -94.324
flat angles P-C4'-P energy: -50.071
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -578.798535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.798535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.798535 (E_RNA)
where:
Base-Base interactions energy: -264.783
where: short stacking energy: -165.266
Base-Backbone interact. energy: -0.637
local terms energy: -313.378581
where:
bonds (distance) C4'-P energy: -85.665
bonds (distance) P-C4' energy: -85.545
flat angles C4'-P-C4' energy: -86.633
flat angles P-C4'-P energy: -64.839
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: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2367.219293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.219293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.219293 (E_RNA)
where:
Base-Base interactions energy: -1660.893
where: short stacking energy: -680.589
Base-Backbone interact. energy: -1.214
local terms energy: -705.112229
where:
bonds (distance) C4'-P energy: -120.774
bonds (distance) P-C4' energy: -126.789
flat angles C4'-P-C4' energy: -147.713
flat angles P-C4'-P energy: -102.720
tors. eta vs tors. theta energy: -207.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2296.288698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.288698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.288698 (E_RNA)
where:
Base-Base interactions energy: -1644.383
where: short stacking energy: -626.445
Base-Backbone interact. energy: -0.714
local terms energy: -651.191813
where:
bonds (distance) C4'-P energy: -120.637
bonds (distance) P-C4' energy: -111.615
flat angles C4'-P-C4' energy: -134.450
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -187.973
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: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2167.541528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.541528 (E_RNA)
where:
Base-Base interactions energy: -1535.730
where: short stacking energy: -615.069
Base-Backbone interact. energy: -2.502
local terms energy: -629.309626
where:
bonds (distance) C4'-P energy: -127.227
bonds (distance) P-C4' energy: -117.864
flat angles C4'-P-C4' energy: -120.642
flat angles P-C4'-P energy: -79.900
tors. eta vs tors. theta energy: -183.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1966.561316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.561316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.561316 (E_RNA)
where:
Base-Base interactions energy: -1355.363
where: short stacking energy: -537.122
Base-Backbone interact. energy: -4.815
local terms energy: -606.383927
where:
bonds (distance) C4'-P energy: -102.860
bonds (distance) P-C4' energy: -122.658
flat angles C4'-P-C4' energy: -137.683
flat angles P-C4'-P energy: -86.159
tors. eta vs tors. theta energy: -157.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1892.720934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.720934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.720934 (E_RNA)
where:
Base-Base interactions energy: -1284.884
where: short stacking energy: -541.138
Base-Backbone interact. energy: -2.607
local terms energy: -605.229521
where:
bonds (distance) C4'-P energy: -107.680
bonds (distance) P-C4' energy: -109.290
flat angles C4'-P-C4' energy: -134.657
flat angles P-C4'-P energy: -80.329
tors. eta vs tors. theta energy: -173.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1666.641914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.641914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.641914 (E_RNA)
where:
Base-Base interactions energy: -1122.819
where: short stacking energy: -468.975
Base-Backbone interact. energy: -0.563
local terms energy: -543.259187
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -113.907
flat angles P-C4'-P energy: -85.147
tors. eta vs tors. theta energy: -135.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1357.459341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.459341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.459341 (E_RNA)
where:
Base-Base interactions energy: -908.635
where: short stacking energy: -386.635
Base-Backbone interact. energy: 0.245
local terms energy: -449.069330
where:
bonds (distance) C4'-P energy: -112.802
bonds (distance) P-C4' energy: -94.021
flat angles C4'-P-C4' energy: -113.026
flat angles P-C4'-P energy: -59.447
tors. eta vs tors. theta energy: -69.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1187.094786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.094786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.094786 (E_RNA)
where:
Base-Base interactions energy: -732.378
where: short stacking energy: -343.798
Base-Backbone interact. energy: 5.702
local terms energy: -460.419369
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -115.171
flat angles C4'-P-C4' energy: -97.370
flat angles P-C4'-P energy: -58.799
tors. eta vs tors. theta energy: -78.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -866.472624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.472624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.472624 (E_RNA)
where:
Base-Base interactions energy: -452.200
where: short stacking energy: -226.113
Base-Backbone interact. energy: -2.788
local terms energy: -411.484667
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -121.162
flat angles C4'-P-C4' energy: -101.999
flat angles P-C4'-P energy: -76.550
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -583.197193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.197193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.197193 (E_RNA)
where:
Base-Base interactions energy: -244.124
where: short stacking energy: -150.404
Base-Backbone interact. energy: -1.601
local terms energy: -337.472027
where:
bonds (distance) C4'-P energy: -101.478
bonds (distance) P-C4' energy: -100.647
flat angles C4'-P-C4' energy: -66.846
flat angles P-C4'-P energy: -73.772
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: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2353.455285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.455285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.455285 (E_RNA)
where:
Base-Base interactions energy: -1662.221
where: short stacking energy: -667.530
Base-Backbone interact. energy: -0.361
local terms energy: -690.872942
where:
bonds (distance) C4'-P energy: -115.398
bonds (distance) P-C4' energy: -131.925
flat angles C4'-P-C4' energy: -154.337
flat angles P-C4'-P energy: -93.878
tors. eta vs tors. theta energy: -195.336
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: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2275.255973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.255973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.255973 (E_RNA)
where:
Base-Base interactions energy: -1631.795
where: short stacking energy: -626.792
Base-Backbone interact. energy: 6.307
local terms energy: -649.768195
where:
bonds (distance) C4'-P energy: -104.521
bonds (distance) P-C4' energy: -130.565
flat angles C4'-P-C4' energy: -131.077
flat angles P-C4'-P energy: -100.574
tors. eta vs tors. theta energy: -183.031
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: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2191.687696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.687696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.687696 (E_RNA)
where:
Base-Base interactions energy: -1560.284
where: short stacking energy: -613.506
Base-Backbone interact. energy: -2.108
local terms energy: -629.295879
where:
bonds (distance) C4'-P energy: -106.881
bonds (distance) P-C4' energy: -110.699
flat angles C4'-P-C4' energy: -132.415
flat angles P-C4'-P energy: -95.621
tors. eta vs tors. theta energy: -183.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1979.345243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.345243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.345243 (E_RNA)
where:
Base-Base interactions energy: -1386.688
where: short stacking energy: -551.700
Base-Backbone interact. energy: -2.673
local terms energy: -589.984330
where:
bonds (distance) C4'-P energy: -100.740
bonds (distance) P-C4' energy: -124.396
flat angles C4'-P-C4' energy: -125.720
flat angles P-C4'-P energy: -88.948
tors. eta vs tors. theta energy: -150.180
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: 312
Temperature: 1.100000
Total energy: -1843.579206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.579206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.579206 (E_RNA)
where:
Base-Base interactions energy: -1255.484
where: short stacking energy: -502.194
Base-Backbone interact. energy: -1.580
local terms energy: -586.515178
where:
bonds (distance) C4'-P energy: -102.637
bonds (distance) P-C4' energy: -112.708
flat angles C4'-P-C4' energy: -130.811
flat angles P-C4'-P energy: -77.793
tors. eta vs tors. theta energy: -162.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1667.216875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.216875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.216875 (E_RNA)
where:
Base-Base interactions energy: -1146.866
where: short stacking energy: -461.698
Base-Backbone interact. energy: 4.165
local terms energy: -524.515082
where:
bonds (distance) C4'-P energy: -110.713
bonds (distance) P-C4' energy: -116.802
flat angles C4'-P-C4' energy: -110.933
flat angles P-C4'-P energy: -65.578
tors. eta vs tors. theta energy: -120.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1345.678843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.678843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.678843 (E_RNA)
where:
Base-Base interactions energy: -870.339
where: short stacking energy: -355.261
Base-Backbone interact. energy: 8.378
local terms energy: -483.718066
where:
bonds (distance) C4'-P energy: -113.305
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -100.668
flat angles P-C4'-P energy: -69.661
tors. eta vs tors. theta energy: -86.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1204.508984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.508984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.508984 (E_RNA)
where:
Base-Base interactions energy: -752.337
where: short stacking energy: -331.134
Base-Backbone interact. energy: -2.086
local terms energy: -450.085319
where:
bonds (distance) C4'-P energy: -105.256
bonds (distance) P-C4' energy: -117.024
flat angles C4'-P-C4' energy: -103.880
flat angles P-C4'-P energy: -72.162
tors. eta vs tors. theta energy: -51.763
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: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -872.464913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.464913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.464913 (E_RNA)
where:
Base-Base interactions energy: -459.443
where: short stacking energy: -244.195
Base-Backbone interact. energy: -3.387
local terms energy: -409.635216
where:
bonds (distance) C4'-P energy: -110.966
bonds (distance) P-C4' energy: -100.535
flat angles C4'-P-C4' energy: -95.947
flat angles P-C4'-P energy: -75.859
tors. eta vs tors. theta energy: -26.328
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: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -582.513724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.513724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.513724 (E_RNA)
where:
Base-Base interactions energy: -250.942
where: short stacking energy: -163.007
Base-Backbone interact. energy: 6.463
local terms energy: -338.034961
where:
bonds (distance) C4'-P energy: -92.843
bonds (distance) P-C4' energy: -111.872
flat angles C4'-P-C4' energy: -79.804
flat angles P-C4'-P energy: -59.582
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: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2389.904321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.904321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.904321 (E_RNA)
where:
Base-Base interactions energy: -1698.584
where: short stacking energy: -653.807
Base-Backbone interact. energy: -0.791
local terms energy: -690.529655
where:
bonds (distance) C4'-P energy: -119.923
bonds (distance) P-C4' energy: -126.299
flat angles C4'-P-C4' energy: -151.549
flat angles P-C4'-P energy: -93.984
tors. eta vs tors. theta energy: -198.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2299.181020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.181020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.181020 (E_RNA)
where:
Base-Base interactions energy: -1638.893
where: short stacking energy: -642.876
Base-Backbone interact. energy: -5.002
local terms energy: -655.285922
where:
bonds (distance) C4'-P energy: -102.228
bonds (distance) P-C4' energy: -135.972
flat angles C4'-P-C4' energy: -143.223
flat angles P-C4'-P energy: -90.320
tors. eta vs tors. theta energy: -183.543
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: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2136.650505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.650505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.650505 (E_RNA)
where:
Base-Base interactions energy: -1531.814
where: short stacking energy: -598.033
Base-Backbone interact. energy: -2.179
local terms energy: -602.656890
where:
bonds (distance) C4'-P energy: -103.065
bonds (distance) P-C4' energy: -124.065
flat angles C4'-P-C4' energy: -125.615
flat angles P-C4'-P energy: -77.404
tors. eta vs tors. theta energy: -172.508
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: 313
Temperature: 1.050000
Total energy: -1960.272660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.272660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.272660 (E_RNA)
where:
Base-Base interactions energy: -1331.291
where: short stacking energy: -542.553
Base-Backbone interact. energy: 0.480
local terms energy: -629.461718
where:
bonds (distance) C4'-P energy: -132.375
bonds (distance) P-C4' energy: -108.313
flat angles C4'-P-C4' energy: -129.446
flat angles P-C4'-P energy: -96.165
tors. eta vs tors. theta energy: -163.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1894.120993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.120993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.120993 (E_RNA)
where:
Base-Base interactions energy: -1316.018
where: short stacking energy: -538.974
Base-Backbone interact. energy: -0.761
local terms energy: -577.341972
where:
bonds (distance) C4'-P energy: -99.253
bonds (distance) P-C4' energy: -106.236
flat angles C4'-P-C4' energy: -127.428
flat angles P-C4'-P energy: -79.991
tors. eta vs tors. theta energy: -164.434
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: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1683.868028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.868028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.868028 (E_RNA)
where:
Base-Base interactions energy: -1165.584
where: short stacking energy: -465.843
Base-Backbone interact. energy: -0.326
local terms energy: -517.957824
where:
bonds (distance) C4'-P energy: -98.457
bonds (distance) P-C4' energy: -109.281
flat angles C4'-P-C4' energy: -112.132
flat angles P-C4'-P energy: -78.859
tors. eta vs tors. theta energy: -119.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1423.483531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.483531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.483531 (E_RNA)
where:
Base-Base interactions energy: -911.394
where: short stacking energy: -395.480
Base-Backbone interact. energy: -4.747
local terms energy: -507.342222
where:
bonds (distance) C4'-P energy: -111.073
bonds (distance) P-C4' energy: -125.940
flat angles C4'-P-C4' energy: -113.465
flat angles P-C4'-P energy: -63.474
tors. eta vs tors. theta energy: -93.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1221.961856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.961856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.961856 (E_RNA)
where:
Base-Base interactions energy: -780.143
where: short stacking energy: -350.594
Base-Backbone interact. energy: -2.015
local terms energy: -439.804077
where:
bonds (distance) C4'-P energy: -87.558
bonds (distance) P-C4' energy: -86.044
flat angles C4'-P-C4' energy: -116.922
flat angles P-C4'-P energy: -74.772
tors. eta vs tors. theta energy: -74.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -810.083256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.083256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.083256 (E_RNA)
where:
Base-Base interactions energy: -436.144
where: short stacking energy: -198.889
Base-Backbone interact. energy: -0.520
local terms energy: -373.419402
where:
bonds (distance) C4'-P energy: -110.140
bonds (distance) P-C4' energy: -115.553
flat angles C4'-P-C4' energy: -79.832
flat angles P-C4'-P energy: -50.126
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -534.336923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.336923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.336923 (E_RNA)
where:
Base-Base interactions energy: -213.546
where: short stacking energy: -135.801
Base-Backbone interact. energy: -4.869
local terms energy: -315.921127
where:
bonds (distance) C4'-P energy: -96.637
bonds (distance) P-C4' energy: -83.985
flat angles C4'-P-C4' energy: -91.991
flat angles P-C4'-P energy: -69.486
tors. eta vs tors. theta energy: 26.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2361.059968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.059968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.059968 (E_RNA)
where:
Base-Base interactions energy: -1668.091
where: short stacking energy: -656.140
Base-Backbone interact. energy: 0.653
local terms energy: -693.622144
where:
bonds (distance) C4'-P energy: -119.199
bonds (distance) P-C4' energy: -131.184
flat angles C4'-P-C4' energy: -153.376
flat angles P-C4'-P energy: -88.252
tors. eta vs tors. theta energy: -201.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2262.522552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.522552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.522552 (E_RNA)
where:
Base-Base interactions energy: -1624.409
where: short stacking energy: -630.560
Base-Backbone interact. energy: -0.465
local terms energy: -637.649035
where:
bonds (distance) C4'-P energy: -132.524
bonds (distance) P-C4' energy: -116.684
flat angles C4'-P-C4' energy: -126.521
flat angles P-C4'-P energy: -81.037
tors. eta vs tors. theta energy: -180.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2154.770347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.770347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.770347 (E_RNA)
where:
Base-Base interactions energy: -1495.710
where: short stacking energy: -569.447
Base-Backbone interact. energy: 7.417
local terms energy: -666.476916
where:
bonds (distance) C4'-P energy: -124.668
bonds (distance) P-C4' energy: -114.715
flat angles C4'-P-C4' energy: -137.739
flat angles P-C4'-P energy: -100.582
tors. eta vs tors. theta energy: -188.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1986.906123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.906123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.906123 (E_RNA)
where:
Base-Base interactions energy: -1381.569
where: short stacking energy: -553.995
Base-Backbone interact. energy: -4.759
local terms energy: -600.577852
where:
bonds (distance) C4'-P energy: -98.754
bonds (distance) P-C4' energy: -103.998
flat angles C4'-P-C4' energy: -144.812
flat angles P-C4'-P energy: -85.970
tors. eta vs tors. theta energy: -167.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1840.730115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.730115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.730115 (E_RNA)
where:
Base-Base interactions energy: -1255.261
where: short stacking energy: -495.792
Base-Backbone interact. energy: 2.792
local terms energy: -588.261482
where:
bonds (distance) C4'-P energy: -118.510
bonds (distance) P-C4' energy: -120.275
flat angles C4'-P-C4' energy: -112.217
flat angles P-C4'-P energy: -90.774
tors. eta vs tors. theta energy: -146.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1694.783916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.783916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.783916 (E_RNA)
where:
Base-Base interactions energy: -1141.497
where: short stacking energy: -468.703
Base-Backbone interact. energy: -1.665
local terms energy: -551.621378
where:
bonds (distance) C4'-P energy: -107.960
bonds (distance) P-C4' energy: -113.213
flat angles C4'-P-C4' energy: -114.411
flat angles P-C4'-P energy: -81.518
tors. eta vs tors. theta energy: -134.519
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: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1413.537706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.537706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.537706 (E_RNA)
where:
Base-Base interactions energy: -882.438
where: short stacking energy: -367.327
Base-Backbone interact. energy: -0.087
local terms energy: -531.012799
where:
bonds (distance) C4'-P energy: -115.904
bonds (distance) P-C4' energy: -120.420
flat angles C4'-P-C4' energy: -119.324
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -97.816
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: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1188.985705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.985705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.985705 (E_RNA)
where:
Base-Base interactions energy: -751.124
where: short stacking energy: -318.944
Base-Backbone interact. energy: 3.323
local terms energy: -441.184733
where:
bonds (distance) C4'-P energy: -103.849
bonds (distance) P-C4' energy: -98.691
flat angles C4'-P-C4' energy: -121.571
flat angles P-C4'-P energy: -54.526
tors. eta vs tors. theta energy: -62.548
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: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -845.031698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.031698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.031698 (E_RNA)
where:
Base-Base interactions energy: -472.957
where: short stacking energy: -222.922
Base-Backbone interact. energy: 1.463
local terms energy: -373.538216
where:
bonds (distance) C4'-P energy: -85.730
bonds (distance) P-C4' energy: -117.499
flat angles C4'-P-C4' energy: -98.311
flat angles P-C4'-P energy: -53.836
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: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -463.213241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.213241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.213241 (E_RNA)
where:
Base-Base interactions energy: -144.716
where: short stacking energy: -122.652
Base-Backbone interact. energy: 1.443
local terms energy: -319.939773
where:
bonds (distance) C4'-P energy: -102.711
bonds (distance) P-C4' energy: -121.422
flat angles C4'-P-C4' energy: -70.182
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: 13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2351.705633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.705633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.705633 (E_RNA)
where:
Base-Base interactions energy: -1644.203
where: short stacking energy: -650.377
Base-Backbone interact. energy: -0.752
local terms energy: -706.750773
where:
bonds (distance) C4'-P energy: -134.637
bonds (distance) P-C4' energy: -116.516
flat angles C4'-P-C4' energy: -141.722
flat angles P-C4'-P energy: -107.689
tors. eta vs tors. theta energy: -206.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2285.070819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.070819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.070819 (E_RNA)
where:
Base-Base interactions energy: -1633.195
where: short stacking energy: -632.666
Base-Backbone interact. energy: -3.613
local terms energy: -648.262555
where:
bonds (distance) C4'-P energy: -115.471
bonds (distance) P-C4' energy: -125.685
flat angles C4'-P-C4' energy: -142.125
flat angles P-C4'-P energy: -86.126
tors. eta vs tors. theta energy: -178.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2194.943584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.943584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.943584 (E_RNA)
where:
Base-Base interactions energy: -1535.633
where: short stacking energy: -613.217
Base-Backbone interact. energy: -2.110
local terms energy: -657.201069
where:
bonds (distance) C4'-P energy: -139.078
bonds (distance) P-C4' energy: -105.427
flat angles C4'-P-C4' energy: -128.792
flat angles P-C4'-P energy: -90.657
tors. eta vs tors. theta energy: -193.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2014.849703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.849703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.849703 (E_RNA)
where:
Base-Base interactions energy: -1376.436
where: short stacking energy: -579.799
Base-Backbone interact. energy: -0.177
local terms energy: -638.236822
where:
bonds (distance) C4'-P energy: -122.069
bonds (distance) P-C4' energy: -122.117
flat angles C4'-P-C4' energy: -136.522
flat angles P-C4'-P energy: -85.611
tors. eta vs tors. theta energy: -171.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1819.028931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.028931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.028931 (E_RNA)
where:
Base-Base interactions energy: -1228.615
where: short stacking energy: -484.082
Base-Backbone interact. energy: 1.573
local terms energy: -591.986686
where:
bonds (distance) C4'-P energy: -121.264
bonds (distance) P-C4' energy: -104.971
flat angles C4'-P-C4' energy: -117.881
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -161.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1709.798374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.798374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.798374 (E_RNA)
where:
Base-Base interactions energy: -1186.473
where: short stacking energy: -456.314
Base-Backbone interact. energy: -2.762
local terms energy: -520.562957
where:
bonds (distance) C4'-P energy: -122.461
bonds (distance) P-C4' energy: -92.230
flat angles C4'-P-C4' energy: -113.336
flat angles P-C4'-P energy: -77.963
tors. eta vs tors. theta energy: -114.572
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: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1390.319833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.319833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.319833 (E_RNA)
where:
Base-Base interactions energy: -899.068
where: short stacking energy: -390.777
Base-Backbone interact. energy: -1.580
local terms energy: -489.672775
where:
bonds (distance) C4'-P energy: -104.012
bonds (distance) P-C4' energy: -113.721
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -64.236
tors. eta vs tors. theta energy: -100.202
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: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1162.821930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.821930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.821930 (E_RNA)
where:
Base-Base interactions energy: -709.175
where: short stacking energy: -310.673
Base-Backbone interact. energy: -2.780
local terms energy: -450.867759
where:
bonds (distance) C4'-P energy: -91.448
bonds (distance) P-C4' energy: -119.551
flat angles C4'-P-C4' energy: -103.691
flat angles P-C4'-P energy: -69.782
tors. eta vs tors. theta energy: -66.396
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: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -875.733610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.733610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.733610 (E_RNA)
where:
Base-Base interactions energy: -505.862
where: short stacking energy: -215.306
Base-Backbone interact. energy: -2.861
local terms energy: -367.010597
where:
bonds (distance) C4'-P energy: -99.492
bonds (distance) P-C4' energy: -107.750
flat angles C4'-P-C4' energy: -85.294
flat angles P-C4'-P energy: -51.311
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -437.974094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.974094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.974094 (E_RNA)
where:
Base-Base interactions energy: -145.589
where: short stacking energy: -114.568
Base-Backbone interact. energy: 6.885
local terms energy: -299.270466
where:
bonds (distance) C4'-P energy: -80.875
bonds (distance) P-C4' energy: -118.148
flat angles C4'-P-C4' energy: -92.548
flat angles P-C4'-P energy: -29.934
tors. eta vs tors. theta energy: 22.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2361.804890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.804890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.804890 (E_RNA)
where:
Base-Base interactions energy: -1657.578
where: short stacking energy: -669.697
Base-Backbone interact. energy: -0.918
local terms energy: -703.308789
where:
bonds (distance) C4'-P energy: -133.473
bonds (distance) P-C4' energy: -121.106
flat angles C4'-P-C4' energy: -148.719
flat angles P-C4'-P energy: -97.661
tors. eta vs tors. theta energy: -202.349
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: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2249.712759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.712759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.712759 (E_RNA)
where:
Base-Base interactions energy: -1588.365
where: short stacking energy: -583.286
Base-Backbone interact. energy: -3.676
local terms energy: -657.672055
where:
bonds (distance) C4'-P energy: -123.653
bonds (distance) P-C4' energy: -124.103
flat angles C4'-P-C4' energy: -143.027
flat angles P-C4'-P energy: -94.413
tors. eta vs tors. theta energy: -172.476
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: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2186.865685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.865685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.865685 (E_RNA)
where:
Base-Base interactions energy: -1521.298
where: short stacking energy: -606.074
Base-Backbone interact. energy: 2.624
local terms energy: -668.192444
where:
bonds (distance) C4'-P energy: -123.617
bonds (distance) P-C4' energy: -122.799
flat angles C4'-P-C4' energy: -145.875
flat angles P-C4'-P energy: -92.629
tors. eta vs tors. theta energy: -183.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2001.065843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.065843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.065843 (E_RNA)
where:
Base-Base interactions energy: -1394.166
where: short stacking energy: -578.167
Base-Backbone interact. energy: -2.388
local terms energy: -604.512663
where:
bonds (distance) C4'-P energy: -109.753
bonds (distance) P-C4' energy: -107.903
flat angles C4'-P-C4' energy: -112.294
flat angles P-C4'-P energy: -98.655
tors. eta vs tors. theta energy: -175.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1830.978686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.978686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.978686 (E_RNA)
where:
Base-Base interactions energy: -1271.898
where: short stacking energy: -503.483
Base-Backbone interact. energy: 2.453
local terms energy: -561.533745
where:
bonds (distance) C4'-P energy: -123.620
bonds (distance) P-C4' energy: -107.842
flat angles C4'-P-C4' energy: -129.095
flat angles P-C4'-P energy: -68.337
tors. eta vs tors. theta energy: -132.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1709.165052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.165052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.165052 (E_RNA)
where:
Base-Base interactions energy: -1155.009
where: short stacking energy: -475.336
Base-Backbone interact. energy: 0.851
local terms energy: -555.006726
where:
bonds (distance) C4'-P energy: -118.913
bonds (distance) P-C4' energy: -107.124
flat angles C4'-P-C4' energy: -113.764
flat angles P-C4'-P energy: -80.083
tors. eta vs tors. theta energy: -135.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1387.280535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.280535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.280535 (E_RNA)
where:
Base-Base interactions energy: -903.372
where: short stacking energy: -388.299
Base-Backbone interact. energy: 1.547
local terms energy: -485.455183
where:
bonds (distance) C4'-P energy: -108.571
bonds (distance) P-C4' energy: -108.492
flat angles C4'-P-C4' energy: -108.146
flat angles P-C4'-P energy: -73.762
tors. eta vs tors. theta energy: -86.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1247.445887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.445887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.445887 (E_RNA)
where:
Base-Base interactions energy: -807.161
where: short stacking energy: -336.677
Base-Backbone interact. energy: 0.332
local terms energy: -440.616736
where:
bonds (distance) C4'-P energy: -106.923
bonds (distance) P-C4' energy: -107.951
flat angles C4'-P-C4' energy: -111.035
flat angles P-C4'-P energy: -56.312
tors. eta vs tors. theta energy: -58.396
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: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -899.323366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.323366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.323366 (E_RNA)
where:
Base-Base interactions energy: -515.597
where: short stacking energy: -245.181
Base-Backbone interact. energy: 1.154
local terms energy: -384.880685
where:
bonds (distance) C4'-P energy: -84.440
bonds (distance) P-C4' energy: -95.893
flat angles C4'-P-C4' energy: -107.246
flat angles P-C4'-P energy: -68.751
tors. eta vs tors. theta energy: -28.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -478.621946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.621946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.621946 (E_RNA)
where:
Base-Base interactions energy: -167.239
where: short stacking energy: -144.703
Base-Backbone interact. energy: -1.045
local terms energy: -310.337941
where:
bonds (distance) C4'-P energy: -86.423
bonds (distance) P-C4' energy: -114.560
flat angles C4'-P-C4' energy: -97.270
flat angles P-C4'-P energy: -28.276
tors. eta vs tors. theta energy: 16.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2350.360393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.360393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.360393 (E_RNA)
where:
Base-Base interactions energy: -1649.158
where: short stacking energy: -637.037
Base-Backbone interact. energy: 1.036
local terms energy: -702.239290
where:
bonds (distance) C4'-P energy: -136.856
bonds (distance) P-C4' energy: -123.937
flat angles C4'-P-C4' energy: -147.925
flat angles P-C4'-P energy: -103.732
tors. eta vs tors. theta energy: -189.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2266.491502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.491502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.491502 (E_RNA)
where:
Base-Base interactions energy: -1603.411
where: short stacking energy: -618.619
Base-Backbone interact. energy: -1.026
local terms energy: -662.054038
where:
bonds (distance) C4'-P energy: -126.081
bonds (distance) P-C4' energy: -111.947
flat angles C4'-P-C4' energy: -141.622
flat angles P-C4'-P energy: -99.369
tors. eta vs tors. theta energy: -183.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2175.701987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.701987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.701987 (E_RNA)
where:
Base-Base interactions energy: -1526.501
where: short stacking energy: -610.060
Base-Backbone interact. energy: -3.695
local terms energy: -645.505786
where:
bonds (distance) C4'-P energy: -100.101
bonds (distance) P-C4' energy: -112.372
flat angles C4'-P-C4' energy: -142.209
flat angles P-C4'-P energy: -104.773
tors. eta vs tors. theta energy: -186.051
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: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1983.776757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.776757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.776757 (E_RNA)
where:
Base-Base interactions energy: -1375.971
where: short stacking energy: -536.815
Base-Backbone interact. energy: 1.776
local terms energy: -609.581319
where:
bonds (distance) C4'-P energy: -119.689
bonds (distance) P-C4' energy: -108.659
flat angles C4'-P-C4' energy: -127.654
flat angles P-C4'-P energy: -96.672
tors. eta vs tors. theta energy: -156.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1864.486620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.486620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.486620 (E_RNA)
where:
Base-Base interactions energy: -1280.000
where: short stacking energy: -508.345
Base-Backbone interact. energy: 0.659
local terms energy: -585.146164
where:
bonds (distance) C4'-P energy: -108.541
bonds (distance) P-C4' energy: -104.007
flat angles C4'-P-C4' energy: -133.051
flat angles P-C4'-P energy: -89.399
tors. eta vs tors. theta energy: -150.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1772.194224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.194224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.194224 (E_RNA)
where:
Base-Base interactions energy: -1235.565
where: short stacking energy: -492.648
Base-Backbone interact. energy: 1.116
local terms energy: -537.745689
where:
bonds (distance) C4'-P energy: -105.132
bonds (distance) P-C4' energy: -99.691
flat angles C4'-P-C4' energy: -114.949
flat angles P-C4'-P energy: -79.649
tors. eta vs tors. theta energy: -138.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1433.528251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.528251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.528251 (E_RNA)
where:
Base-Base interactions energy: -940.861
where: short stacking energy: -414.335
Base-Backbone interact. energy: -0.539
local terms energy: -492.128560
where:
bonds (distance) C4'-P energy: -89.766
bonds (distance) P-C4' energy: -103.369
flat angles C4'-P-C4' energy: -119.400
flat angles P-C4'-P energy: -75.149
tors. eta vs tors. theta energy: -104.444
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: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1229.890486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.890486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.890486 (E_RNA)
where:
Base-Base interactions energy: -772.893
where: short stacking energy: -335.730
Base-Backbone interact. energy: 1.532
local terms energy: -458.530040
where:
bonds (distance) C4'-P energy: -119.518
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -93.196
flat angles P-C4'-P energy: -79.879
tors. eta vs tors. theta energy: -60.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -895.050684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.050684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.050684 (E_RNA)
where:
Base-Base interactions energy: -478.857
where: short stacking energy: -238.315
Base-Backbone interact. energy: 3.677
local terms energy: -419.870766
where:
bonds (distance) C4'-P energy: -116.616
bonds (distance) P-C4' energy: -85.527
flat angles C4'-P-C4' energy: -98.529
flat angles P-C4'-P energy: -75.932
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -435.627638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.627638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.627638 (E_RNA)
where:
Base-Base interactions energy: -142.597
where: short stacking energy: -104.846
Base-Backbone interact. energy: -2.987
local terms energy: -290.043762
where:
bonds (distance) C4'-P energy: -88.277
bonds (distance) P-C4' energy: -109.368
flat angles C4'-P-C4' energy: -85.339
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: 30.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2369.840600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.840600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.840600 (E_RNA)
where:
Base-Base interactions energy: -1677.048
where: short stacking energy: -660.546
Base-Backbone interact. energy: 2.562
local terms energy: -695.354534
where:
bonds (distance) C4'-P energy: -127.106
bonds (distance) P-C4' energy: -127.623
flat angles C4'-P-C4' energy: -135.532
flat angles P-C4'-P energy: -99.392
tors. eta vs tors. theta energy: -205.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2282.525810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.525810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.525810 (E_RNA)
where:
Base-Base interactions energy: -1606.146
where: short stacking energy: -612.026
Base-Backbone interact. energy: -2.365
local terms energy: -674.014988
where:
bonds (distance) C4'-P energy: -127.933
bonds (distance) P-C4' energy: -130.510
flat angles C4'-P-C4' energy: -139.533
flat angles P-C4'-P energy: -90.207
tors. eta vs tors. theta energy: -185.832
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: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2166.771603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.771603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.771603 (E_RNA)
where:
Base-Base interactions energy: -1524.406
where: short stacking energy: -592.708
Base-Backbone interact. energy: -3.258
local terms energy: -639.107322
where:
bonds (distance) C4'-P energy: -115.969
bonds (distance) P-C4' energy: -112.475
flat angles C4'-P-C4' energy: -137.754
flat angles P-C4'-P energy: -93.836
tors. eta vs tors. theta energy: -179.074
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: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2020.218120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.218120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.218120 (E_RNA)
where:
Base-Base interactions energy: -1404.077
where: short stacking energy: -571.080
Base-Backbone interact. energy: 0.185
local terms energy: -616.325985
where:
bonds (distance) C4'-P energy: -115.354
bonds (distance) P-C4' energy: -110.236
flat angles C4'-P-C4' energy: -131.691
flat angles P-C4'-P energy: -89.606
tors. eta vs tors. theta energy: -169.439
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: 318
Temperature: 1.100000
Total energy: -1887.477390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.477390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.477390 (E_RNA)
where:
Base-Base interactions energy: -1293.073
where: short stacking energy: -533.297
Base-Backbone interact. energy: -2.434
local terms energy: -591.970870
where:
bonds (distance) C4'-P energy: -116.050
bonds (distance) P-C4' energy: -107.917
flat angles C4'-P-C4' energy: -126.716
flat angles P-C4'-P energy: -73.018
tors. eta vs tors. theta energy: -168.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1743.791915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.791915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.791915 (E_RNA)
where:
Base-Base interactions energy: -1210.712
where: short stacking energy: -469.624
Base-Backbone interact. energy: 1.285
local terms energy: -534.365730
where:
bonds (distance) C4'-P energy: -113.054
bonds (distance) P-C4' energy: -115.320
flat angles C4'-P-C4' energy: -108.097
flat angles P-C4'-P energy: -74.118
tors. eta vs tors. theta energy: -123.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1406.626723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.626723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.626723 (E_RNA)
where:
Base-Base interactions energy: -911.195
where: short stacking energy: -363.015
Base-Backbone interact. energy: -2.214
local terms energy: -493.217407
where:
bonds (distance) C4'-P energy: -106.390
bonds (distance) P-C4' energy: -100.194
flat angles C4'-P-C4' energy: -115.061
flat angles P-C4'-P energy: -69.456
tors. eta vs tors. theta energy: -102.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1238.771255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.771255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.771255 (E_RNA)
where:
Base-Base interactions energy: -786.547
where: short stacking energy: -355.494
Base-Backbone interact. energy: -1.531
local terms energy: -450.693919
where:
bonds (distance) C4'-P energy: -90.790
bonds (distance) P-C4' energy: -120.857
flat angles C4'-P-C4' energy: -101.138
flat angles P-C4'-P energy: -67.841
tors. eta vs tors. theta energy: -70.068
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: 318
Temperature: 1.300000
Total energy: -899.471528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.471528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.471528 (E_RNA)
where:
Base-Base interactions energy: -532.996
where: short stacking energy: -250.916
Base-Backbone interact. energy: -0.230
local terms energy: -366.245444
where:
bonds (distance) C4'-P energy: -85.150
bonds (distance) P-C4' energy: -94.006
flat angles C4'-P-C4' energy: -91.594
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -43.521
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: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -449.950706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.950706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.950706 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -134.823
Base-Backbone interact. energy: 3.398
local terms energy: -307.920331
where:
bonds (distance) C4'-P energy: -89.584
bonds (distance) P-C4' energy: -101.400
flat angles C4'-P-C4' energy: -89.821
flat angles P-C4'-P energy: -42.228
tors. eta vs tors. theta energy: 15.113
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: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2341.223321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.223321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.223321 (E_RNA)
where:
Base-Base interactions energy: -1647.737
where: short stacking energy: -656.313
Base-Backbone interact. energy: -0.489
local terms energy: -692.998020
where:
bonds (distance) C4'-P energy: -130.135
bonds (distance) P-C4' energy: -114.724
flat angles C4'-P-C4' energy: -141.681
flat angles P-C4'-P energy: -101.265
tors. eta vs tors. theta energy: -205.193
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2256.847490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.847490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.847490 (E_RNA)
where:
Base-Base interactions energy: -1606.743
where: short stacking energy: -610.304
Base-Backbone interact. energy: -3.677
local terms energy: -646.428013
where:
bonds (distance) C4'-P energy: -118.974
bonds (distance) P-C4' energy: -123.787
flat angles C4'-P-C4' energy: -139.706
flat angles P-C4'-P energy: -85.486
tors. eta vs tors. theta energy: -178.476
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: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2185.269040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.269040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.269040 (E_RNA)
where:
Base-Base interactions energy: -1547.062
where: short stacking energy: -604.216
Base-Backbone interact. energy: -1.440
local terms energy: -636.766495
where:
bonds (distance) C4'-P energy: -121.709
bonds (distance) P-C4' energy: -102.155
flat angles C4'-P-C4' energy: -139.246
flat angles P-C4'-P energy: -91.938
tors. eta vs tors. theta energy: -181.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1981.473225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.473225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.473225 (E_RNA)
where:
Base-Base interactions energy: -1363.676
where: short stacking energy: -538.766
Base-Backbone interact. energy: -4.421
local terms energy: -613.376372
where:
bonds (distance) C4'-P energy: -109.964
bonds (distance) P-C4' energy: -116.767
flat angles C4'-P-C4' energy: -131.899
flat angles P-C4'-P energy: -103.130
tors. eta vs tors. theta energy: -151.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1928.620711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.620711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.620711 (E_RNA)
where:
Base-Base interactions energy: -1353.437
where: short stacking energy: -548.897
Base-Backbone interact. energy: -2.656
local terms energy: -572.527706
where:
bonds (distance) C4'-P energy: -97.350
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -116.391
flat angles P-C4'-P energy: -82.652
tors. eta vs tors. theta energy: -169.189
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: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1797.046506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.046506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.046506 (E_RNA)
where:
Base-Base interactions energy: -1250.151
where: short stacking energy: -484.777
Base-Backbone interact. energy: -2.426
local terms energy: -544.470084
where:
bonds (distance) C4'-P energy: -107.970
bonds (distance) P-C4' energy: -101.769
flat angles C4'-P-C4' energy: -122.091
flat angles P-C4'-P energy: -84.070
tors. eta vs tors. theta energy: -128.570
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1423.291935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.291935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.291935 (E_RNA)
where:
Base-Base interactions energy: -921.887
where: short stacking energy: -398.207
Base-Backbone interact. energy: -1.521
local terms energy: -499.883843
where:
bonds (distance) C4'-P energy: -92.472
bonds (distance) P-C4' energy: -106.784
flat angles C4'-P-C4' energy: -108.858
flat angles P-C4'-P energy: -74.498
tors. eta vs tors. theta energy: -117.272
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: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1222.747667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.747667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.747667 (E_RNA)
where:
Base-Base interactions energy: -743.785
where: short stacking energy: -314.626
Base-Backbone interact. energy: 1.587
local terms energy: -480.549172
where:
bonds (distance) C4'-P energy: -108.804
bonds (distance) P-C4' energy: -125.748
flat angles C4'-P-C4' energy: -107.372
flat angles P-C4'-P energy: -68.489
tors. eta vs tors. theta energy: -70.136
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: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -892.025370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.025370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.025370 (E_RNA)
where:
Base-Base interactions energy: -494.029
where: short stacking energy: -242.604
Base-Backbone interact. energy: -2.606
local terms energy: -395.390661
where:
bonds (distance) C4'-P energy: -89.690
bonds (distance) P-C4' energy: -119.055
flat angles C4'-P-C4' energy: -99.659
flat angles P-C4'-P energy: -67.250
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -460.711716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.711716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.711716 (E_RNA)
where:
Base-Base interactions energy: -143.801
where: short stacking energy: -117.697
Base-Backbone interact. energy: 0.869
local terms energy: -317.779826
where:
bonds (distance) C4'-P energy: -88.243
bonds (distance) P-C4' energy: -108.074
flat angles C4'-P-C4' energy: -83.646
flat angles P-C4'-P energy: -61.353
tors. eta vs tors. theta energy: 23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2374.713413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.713413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.713413 (E_RNA)
where:
Base-Base interactions energy: -1679.682
where: short stacking energy: -673.894
Base-Backbone interact. energy: -0.632
local terms energy: -694.399478
where:
bonds (distance) C4'-P energy: -118.045
bonds (distance) P-C4' energy: -133.476
flat angles C4'-P-C4' energy: -152.866
flat angles P-C4'-P energy: -92.744
tors. eta vs tors. theta energy: -197.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2259.658440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.658440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.658440 (E_RNA)
where:
Base-Base interactions energy: -1603.559
where: short stacking energy: -603.981
Base-Backbone interact. energy: 1.009
local terms energy: -657.108367
where:
bonds (distance) C4'-P energy: -104.299
bonds (distance) P-C4' energy: -116.169
flat angles C4'-P-C4' energy: -148.859
flat angles P-C4'-P energy: -103.577
tors. eta vs tors. theta energy: -184.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2187.960763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.960763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.960763 (E_RNA)
where:
Base-Base interactions energy: -1531.835
where: short stacking energy: -613.398
Base-Backbone interact. energy: 0.125
local terms energy: -656.250672
where:
bonds (distance) C4'-P energy: -115.725
bonds (distance) P-C4' energy: -113.130
flat angles C4'-P-C4' energy: -134.133
flat angles P-C4'-P energy: -100.575
tors. eta vs tors. theta energy: -192.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1995.900659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.900659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.900659 (E_RNA)
where:
Base-Base interactions energy: -1366.973
where: short stacking energy: -549.060
Base-Backbone interact. energy: -3.721
local terms energy: -625.206795
where:
bonds (distance) C4'-P energy: -112.031
bonds (distance) P-C4' energy: -130.176
flat angles C4'-P-C4' energy: -133.090
flat angles P-C4'-P energy: -90.942
tors. eta vs tors. theta energy: -158.968
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: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1917.996712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.996712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.996712 (E_RNA)
where:
Base-Base interactions energy: -1333.977
where: short stacking energy: -513.308
Base-Backbone interact. energy: -0.614
local terms energy: -583.406285
where:
bonds (distance) C4'-P energy: -112.887
bonds (distance) P-C4' energy: -104.436
flat angles C4'-P-C4' energy: -122.642
flat angles P-C4'-P energy: -84.267
tors. eta vs tors. theta energy: -159.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1786.133748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.133748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.133748 (E_RNA)
where:
Base-Base interactions energy: -1250.806
where: short stacking energy: -487.188
Base-Backbone interact. energy: 0.332
local terms energy: -535.658968
where:
bonds (distance) C4'-P energy: -100.393
bonds (distance) P-C4' energy: -115.218
flat angles C4'-P-C4' energy: -111.622
flat angles P-C4'-P energy: -70.102
tors. eta vs tors. theta energy: -138.324
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: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1451.899803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.899803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.899803 (E_RNA)
where:
Base-Base interactions energy: -926.817
where: short stacking energy: -392.686
Base-Backbone interact. energy: -4.851
local terms energy: -520.232383
where:
bonds (distance) C4'-P energy: -114.466
bonds (distance) P-C4' energy: -124.142
flat angles C4'-P-C4' energy: -108.117
flat angles P-C4'-P energy: -82.651
tors. eta vs tors. theta energy: -90.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1281.845213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.845213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.845213 (E_RNA)
where:
Base-Base interactions energy: -834.664
where: short stacking energy: -366.007
Base-Backbone interact. energy: -0.246
local terms energy: -446.934647
where:
bonds (distance) C4'-P energy: -102.001
bonds (distance) P-C4' energy: -89.042
flat angles C4'-P-C4' energy: -101.784
flat angles P-C4'-P energy: -62.519
tors. eta vs tors. theta energy: -91.588
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: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -853.187304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.187304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.187304 (E_RNA)
where:
Base-Base interactions energy: -457.982
where: short stacking energy: -212.473
Base-Backbone interact. energy: 6.048
local terms energy: -401.252871
where:
bonds (distance) C4'-P energy: -113.429
bonds (distance) P-C4' energy: -108.438
flat angles C4'-P-C4' energy: -90.317
flat angles P-C4'-P energy: -61.080
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -479.057129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.057129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.057129 (E_RNA)
where:
Base-Base interactions energy: -157.474
where: short stacking energy: -115.810
Base-Backbone interact. energy: 0.764
local terms energy: -322.347792
where:
bonds (distance) C4'-P energy: -105.058
bonds (distance) P-C4' energy: -103.223
flat angles C4'-P-C4' energy: -84.171
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: 11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2383.064418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.064418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.064418 (E_RNA)
where:
Base-Base interactions energy: -1670.852
where: short stacking energy: -659.496
Base-Backbone interact. energy: -2.453
local terms energy: -709.759232
where:
bonds (distance) C4'-P energy: -125.723
bonds (distance) P-C4' energy: -117.166
flat angles C4'-P-C4' energy: -149.769
flat angles P-C4'-P energy: -110.730
tors. eta vs tors. theta energy: -206.371
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: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2280.908306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.908306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.908306 (E_RNA)
where:
Base-Base interactions energy: -1616.134
where: short stacking energy: -618.940
Base-Backbone interact. energy: -2.686
local terms energy: -662.088806
where:
bonds (distance) C4'-P energy: -129.515
bonds (distance) P-C4' energy: -122.496
flat angles C4'-P-C4' energy: -141.165
flat angles P-C4'-P energy: -98.739
tors. eta vs tors. theta energy: -170.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2155.197098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.197098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.197098 (E_RNA)
where:
Base-Base interactions energy: -1503.369
where: short stacking energy: -596.911
Base-Backbone interact. energy: -3.925
local terms energy: -647.903046
where:
bonds (distance) C4'-P energy: -118.181
bonds (distance) P-C4' energy: -119.755
flat angles C4'-P-C4' energy: -134.862
flat angles P-C4'-P energy: -90.311
tors. eta vs tors. theta energy: -184.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1978.215182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.215182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.215182 (E_RNA)
where:
Base-Base interactions energy: -1338.707
where: short stacking energy: -553.209
Base-Backbone interact. energy: -0.622
local terms energy: -638.886291
where:
bonds (distance) C4'-P energy: -122.723
bonds (distance) P-C4' energy: -118.102
flat angles C4'-P-C4' energy: -138.277
flat angles P-C4'-P energy: -97.824
tors. eta vs tors. theta energy: -161.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1912.133514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.133514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.133514 (E_RNA)
where:
Base-Base interactions energy: -1338.439
where: short stacking energy: -534.374
Base-Backbone interact. energy: -2.679
local terms energy: -571.014962
where:
bonds (distance) C4'-P energy: -103.338
bonds (distance) P-C4' energy: -100.997
flat angles C4'-P-C4' energy: -130.437
flat angles P-C4'-P energy: -80.549
tors. eta vs tors. theta energy: -155.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1738.742421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.742421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.742421 (E_RNA)
where:
Base-Base interactions energy: -1221.599
where: short stacking energy: -489.483
Base-Backbone interact. energy: 12.994
local terms energy: -530.137349
where:
bonds (distance) C4'-P energy: -93.888
bonds (distance) P-C4' energy: -104.570
flat angles C4'-P-C4' energy: -126.540
flat angles P-C4'-P energy: -71.857
tors. eta vs tors. theta energy: -133.282
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: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1446.064055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.064055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.064055 (E_RNA)
where:
Base-Base interactions energy: -942.154
where: short stacking energy: -385.403
Base-Backbone interact. energy: -2.126
local terms energy: -501.784250
where:
bonds (distance) C4'-P energy: -114.795
bonds (distance) P-C4' energy: -120.468
flat angles C4'-P-C4' energy: -111.250
flat angles P-C4'-P energy: -61.572
tors. eta vs tors. theta energy: -93.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1268.313436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.313436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.313436 (E_RNA)
where:
Base-Base interactions energy: -837.201
where: short stacking energy: -360.299
Base-Backbone interact. energy: -0.079
local terms energy: -431.033153
where:
bonds (distance) C4'-P energy: -105.091
bonds (distance) P-C4' energy: -96.594
flat angles C4'-P-C4' energy: -103.084
flat angles P-C4'-P energy: -61.844
tors. eta vs tors. theta energy: -64.419
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: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -891.957630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.957630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.957630 (E_RNA)
where:
Base-Base interactions energy: -484.399
where: short stacking energy: -224.114
Base-Backbone interact. energy: -2.152
local terms energy: -405.407056
where:
bonds (distance) C4'-P energy: -92.081
bonds (distance) P-C4' energy: -116.870
flat angles C4'-P-C4' energy: -101.831
flat angles P-C4'-P energy: -67.715
tors. eta vs tors. theta energy: -26.910
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: 321
Temperature: 1.350000
Total energy: -431.824953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.824953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.824953 (E_RNA)
where:
Base-Base interactions energy: -157.394
where: short stacking energy: -136.433
Base-Backbone interact. energy: 0.072
local terms energy: -274.502744
where:
bonds (distance) C4'-P energy: -89.285
bonds (distance) P-C4' energy: -100.854
flat angles C4'-P-C4' energy: -66.197
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: 29.362
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: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2365.820148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.820148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.820148 (E_RNA)
where:
Base-Base interactions energy: -1667.758
where: short stacking energy: -652.377
Base-Backbone interact. energy: -2.041
local terms energy: -696.021367
where:
bonds (distance) C4'-P energy: -121.146
bonds (distance) P-C4' energy: -119.150
flat angles C4'-P-C4' energy: -145.825
flat angles P-C4'-P energy: -99.473
tors. eta vs tors. theta energy: -210.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2258.827761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.827761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.827761 (E_RNA)
where:
Base-Base interactions energy: -1603.871
where: short stacking energy: -610.250
Base-Backbone interact. energy: -0.586
local terms energy: -654.371269
where:
bonds (distance) C4'-P energy: -122.078
bonds (distance) P-C4' energy: -125.245
flat angles C4'-P-C4' energy: -133.291
flat angles P-C4'-P energy: -89.737
tors. eta vs tors. theta energy: -184.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2184.303966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.303966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.303966 (E_RNA)
where:
Base-Base interactions energy: -1527.196
where: short stacking energy: -591.575
Base-Backbone interact. energy: -3.269
local terms energy: -653.839473
where:
bonds (distance) C4'-P energy: -118.497
bonds (distance) P-C4' energy: -119.160
flat angles C4'-P-C4' energy: -139.756
flat angles P-C4'-P energy: -93.349
tors. eta vs tors. theta energy: -183.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1996.308832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.308832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.308832 (E_RNA)
where:
Base-Base interactions energy: -1371.074
where: short stacking energy: -540.968
Base-Backbone interact. energy: -2.113
local terms energy: -623.121758
where:
bonds (distance) C4'-P energy: -122.840
bonds (distance) P-C4' energy: -117.868
flat angles C4'-P-C4' energy: -139.344
flat angles P-C4'-P energy: -86.211
tors. eta vs tors. theta energy: -156.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1919.294330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.294330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.294330 (E_RNA)
where:
Base-Base interactions energy: -1346.745
where: short stacking energy: -533.443
Base-Backbone interact. energy: 1.868
local terms energy: -574.417696
where:
bonds (distance) C4'-P energy: -107.848
bonds (distance) P-C4' energy: -101.001
flat angles C4'-P-C4' energy: -126.007
flat angles P-C4'-P energy: -75.879
tors. eta vs tors. theta energy: -163.683
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: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1786.422525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.422525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.422525 (E_RNA)
where:
Base-Base interactions energy: -1228.230
where: short stacking energy: -494.150
Base-Backbone interact. energy: -1.663
local terms energy: -556.529359
where:
bonds (distance) C4'-P energy: -116.087
bonds (distance) P-C4' energy: -89.113
flat angles C4'-P-C4' energy: -123.449
flat angles P-C4'-P energy: -85.834
tors. eta vs tors. theta energy: -142.047
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: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1493.136663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.136663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.136663 (E_RNA)
where:
Base-Base interactions energy: -998.163
where: short stacking energy: -394.265
Base-Backbone interact. energy: 0.044
local terms energy: -495.017550
where:
bonds (distance) C4'-P energy: -96.308
bonds (distance) P-C4' energy: -105.049
flat angles C4'-P-C4' energy: -122.527
flat angles P-C4'-P energy: -75.697
tors. eta vs tors. theta energy: -95.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1244.204919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.204919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.204919 (E_RNA)
where:
Base-Base interactions energy: -784.693
where: short stacking energy: -333.284
Base-Backbone interact. energy: -4.137
local terms energy: -455.375376
where:
bonds (distance) C4'-P energy: -107.811
bonds (distance) P-C4' energy: -97.989
flat angles C4'-P-C4' energy: -103.913
flat angles P-C4'-P energy: -69.183
tors. eta vs tors. theta energy: -76.479
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: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -922.261723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.261723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.261723 (E_RNA)
where:
Base-Base interactions energy: -519.142
where: short stacking energy: -250.405
Base-Backbone interact. energy: -2.471
local terms energy: -400.648324
where:
bonds (distance) C4'-P energy: -92.825
bonds (distance) P-C4' energy: -104.419
flat angles C4'-P-C4' energy: -111.361
flat angles P-C4'-P energy: -61.868
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -469.533754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.533754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.533754 (E_RNA)
where:
Base-Base interactions energy: -141.936
where: short stacking energy: -124.305
Base-Backbone interact. energy: 0.188
local terms energy: -327.785907
where:
bonds (distance) C4'-P energy: -100.617
bonds (distance) P-C4' energy: -93.631
flat angles C4'-P-C4' energy: -104.482
flat angles P-C4'-P energy: -45.540
tors. eta vs tors. theta energy: 16.484
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: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2389.761044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.761044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.761044 (E_RNA)
where:
Base-Base interactions energy: -1686.560
where: short stacking energy: -671.437
Base-Backbone interact. energy: 2.234
local terms energy: -705.435288
where:
bonds (distance) C4'-P energy: -126.064
bonds (distance) P-C4' energy: -118.958
flat angles C4'-P-C4' energy: -154.383
flat angles P-C4'-P energy: -97.036
tors. eta vs tors. theta energy: -208.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2249.527821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.527821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.527821 (E_RNA)
where:
Base-Base interactions energy: -1597.518
where: short stacking energy: -607.639
Base-Backbone interact. energy: -2.300
local terms energy: -649.710045
where:
bonds (distance) C4'-P energy: -121.411
bonds (distance) P-C4' energy: -125.733
flat angles C4'-P-C4' energy: -142.364
flat angles P-C4'-P energy: -84.380
tors. eta vs tors. theta energy: -175.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2194.598452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.598452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.598452 (E_RNA)
where:
Base-Base interactions energy: -1529.480
where: short stacking energy: -621.225
Base-Backbone interact. energy: 1.024
local terms energy: -666.142379
where:
bonds (distance) C4'-P energy: -122.154
bonds (distance) P-C4' energy: -110.211
flat angles C4'-P-C4' energy: -148.204
flat angles P-C4'-P energy: -100.412
tors. eta vs tors. theta energy: -185.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1996.377733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.377733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.377733 (E_RNA)
where:
Base-Base interactions energy: -1394.435
where: short stacking energy: -564.684
Base-Backbone interact. energy: -4.178
local terms energy: -597.764796
where:
bonds (distance) C4'-P energy: -106.221
bonds (distance) P-C4' energy: -107.795
flat angles C4'-P-C4' energy: -127.343
flat angles P-C4'-P energy: -86.155
tors. eta vs tors. theta energy: -170.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1915.451358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.451358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.451358 (E_RNA)
where:
Base-Base interactions energy: -1328.009
where: short stacking energy: -520.087
Base-Backbone interact. energy: 1.152
local terms energy: -588.594361
where:
bonds (distance) C4'-P energy: -127.857
bonds (distance) P-C4' energy: -111.428
flat angles C4'-P-C4' energy: -113.148
flat angles P-C4'-P energy: -74.751
tors. eta vs tors. theta energy: -161.411
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: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1842.381670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.381670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.381670 (E_RNA)
where:
Base-Base interactions energy: -1273.922
where: short stacking energy: -502.958
Base-Backbone interact. energy: -3.712
local terms energy: -564.748242
where:
bonds (distance) C4'-P energy: -99.862
bonds (distance) P-C4' energy: -129.493
flat angles C4'-P-C4' energy: -116.170
flat angles P-C4'-P energy: -68.598
tors. eta vs tors. theta energy: -150.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1409.301261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.301261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.301261 (E_RNA)
where:
Base-Base interactions energy: -924.650
where: short stacking energy: -374.801
Base-Backbone interact. energy: 2.851
local terms energy: -487.502914
where:
bonds (distance) C4'-P energy: -94.243
bonds (distance) P-C4' energy: -112.064
flat angles C4'-P-C4' energy: -119.507
flat angles P-C4'-P energy: -68.527
tors. eta vs tors. theta energy: -93.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1205.521478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.521478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.521478 (E_RNA)
where:
Base-Base interactions energy: -772.818
where: short stacking energy: -337.308
Base-Backbone interact. energy: 0.821
local terms energy: -433.525128
where:
bonds (distance) C4'-P energy: -103.773
bonds (distance) P-C4' energy: -104.822
flat angles C4'-P-C4' energy: -104.954
flat angles P-C4'-P energy: -50.889
tors. eta vs tors. theta energy: -69.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -843.820513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.820513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.820513 (E_RNA)
where:
Base-Base interactions energy: -450.975
where: short stacking energy: -210.582
Base-Backbone interact. energy: 0.670
local terms energy: -393.515954
where:
bonds (distance) C4'-P energy: -94.121
bonds (distance) P-C4' energy: -118.290
flat angles C4'-P-C4' energy: -82.257
flat angles P-C4'-P energy: -72.270
tors. eta vs tors. theta energy: -26.577
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: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -459.622163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.622163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.622163 (E_RNA)
where:
Base-Base interactions energy: -131.437
where: short stacking energy: -115.110
Base-Backbone interact. energy: -1.096
local terms energy: -327.088499
where:
bonds (distance) C4'-P energy: -96.409
bonds (distance) P-C4' energy: -112.472
flat angles C4'-P-C4' energy: -79.865
flat angles P-C4'-P energy: -62.620
tors. eta vs tors. theta energy: 24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2395.525542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.525542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.525542 (E_RNA)
where:
Base-Base interactions energy: -1691.030
where: short stacking energy: -667.770
Base-Backbone interact. energy: -2.177
local terms energy: -702.319035
where:
bonds (distance) C4'-P energy: -127.426
bonds (distance) P-C4' energy: -108.891
flat angles C4'-P-C4' energy: -146.880
flat angles P-C4'-P energy: -105.825
tors. eta vs tors. theta energy: -213.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2264.837781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.837781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.837781 (E_RNA)
where:
Base-Base interactions energy: -1611.176
where: short stacking energy: -622.480
Base-Backbone interact. energy: 2.459
local terms energy: -656.120799
where:
bonds (distance) C4'-P energy: -106.694
bonds (distance) P-C4' energy: -125.064
flat angles C4'-P-C4' energy: -145.502
flat angles P-C4'-P energy: -96.192
tors. eta vs tors. theta energy: -182.668
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: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2207.924825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.924825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.924825 (E_RNA)
where:
Base-Base interactions energy: -1548.142
where: short stacking energy: -596.349
Base-Backbone interact. energy: -2.074
local terms energy: -657.708997
where:
bonds (distance) C4'-P energy: -118.224
bonds (distance) P-C4' energy: -132.071
flat angles C4'-P-C4' energy: -131.671
flat angles P-C4'-P energy: -92.999
tors. eta vs tors. theta energy: -182.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2004.542661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.542661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.542661 (E_RNA)
where:
Base-Base interactions energy: -1380.855
where: short stacking energy: -561.259
Base-Backbone interact. energy: -4.342
local terms energy: -619.345497
where:
bonds (distance) C4'-P energy: -99.976
bonds (distance) P-C4' energy: -121.319
flat angles C4'-P-C4' energy: -130.684
flat angles P-C4'-P energy: -87.700
tors. eta vs tors. theta energy: -179.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1910.349160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.349160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.349160 (E_RNA)
where:
Base-Base interactions energy: -1291.099
where: short stacking energy: -523.643
Base-Backbone interact. energy: -0.281
local terms energy: -618.968360
where:
bonds (distance) C4'-P energy: -128.495
bonds (distance) P-C4' energy: -120.874
flat angles C4'-P-C4' energy: -125.132
flat angles P-C4'-P energy: -88.639
tors. eta vs tors. theta energy: -155.829
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: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1821.137719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.137719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.137719 (E_RNA)
where:
Base-Base interactions energy: -1249.955
where: short stacking energy: -485.912
Base-Backbone interact. energy: -2.322
local terms energy: -568.861209
where:
bonds (distance) C4'-P energy: -106.296
bonds (distance) P-C4' energy: -111.063
flat angles C4'-P-C4' energy: -116.421
flat angles P-C4'-P energy: -86.892
tors. eta vs tors. theta energy: -148.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1444.659717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.659717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.659717 (E_RNA)
where:
Base-Base interactions energy: -932.467
where: short stacking energy: -391.386
Base-Backbone interact. energy: 0.778
local terms energy: -512.971567
where:
bonds (distance) C4'-P energy: -108.954
bonds (distance) P-C4' energy: -126.531
flat angles C4'-P-C4' energy: -118.838
flat angles P-C4'-P energy: -66.944
tors. eta vs tors. theta energy: -91.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1216.999149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.999149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.999149 (E_RNA)
where:
Base-Base interactions energy: -739.063
where: short stacking energy: -324.107
Base-Backbone interact. energy: -2.094
local terms energy: -475.841850
where:
bonds (distance) C4'-P energy: -118.154
bonds (distance) P-C4' energy: -109.138
flat angles C4'-P-C4' energy: -114.925
flat angles P-C4'-P energy: -62.663
tors. eta vs tors. theta energy: -70.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -911.725951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.725951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.725951 (E_RNA)
where:
Base-Base interactions energy: -524.139
where: short stacking energy: -241.834
Base-Backbone interact. energy: 0.139
local terms energy: -387.726547
where:
bonds (distance) C4'-P energy: -109.372
bonds (distance) P-C4' energy: -107.455
flat angles C4'-P-C4' energy: -99.219
flat angles P-C4'-P energy: -61.424
tors. eta vs tors. theta energy: -10.256
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: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -467.548113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.548113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.548113 (E_RNA)
where:
Base-Base interactions energy: -146.719
where: short stacking energy: -133.248
Base-Backbone interact. energy: 3.971
local terms energy: -324.800417
where:
bonds (distance) C4'-P energy: -114.338
bonds (distance) P-C4' energy: -114.690
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -47.505
tors. eta vs tors. theta energy: 22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2385.159162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.159162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.159162 (E_RNA)
where:
Base-Base interactions energy: -1680.553
where: short stacking energy: -660.953
Base-Backbone interact. energy: -2.123
local terms energy: -702.482490
where:
bonds (distance) C4'-P energy: -122.060
bonds (distance) P-C4' energy: -124.480
flat angles C4'-P-C4' energy: -150.544
flat angles P-C4'-P energy: -100.976
tors. eta vs tors. theta energy: -204.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2281.820169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.820169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.820169 (E_RNA)
where:
Base-Base interactions energy: -1617.450
where: short stacking energy: -618.216
Base-Backbone interact. energy: 0.530
local terms energy: -664.900479
where:
bonds (distance) C4'-P energy: -126.615
bonds (distance) P-C4' energy: -117.086
flat angles C4'-P-C4' energy: -136.837
flat angles P-C4'-P energy: -97.936
tors. eta vs tors. theta energy: -186.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2170.805086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.805086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.805086 (E_RNA)
where:
Base-Base interactions energy: -1512.631
where: short stacking energy: -581.639
Base-Backbone interact. energy: -1.709
local terms energy: -656.464645
where:
bonds (distance) C4'-P energy: -126.237
bonds (distance) P-C4' energy: -124.189
flat angles C4'-P-C4' energy: -138.577
flat angles P-C4'-P energy: -87.849
tors. eta vs tors. theta energy: -179.614
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: 325
Temperature: 1.050000
Total energy: -2009.554592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.554592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.554592 (E_RNA)
where:
Base-Base interactions energy: -1398.158
where: short stacking energy: -587.766
Base-Backbone interact. energy: -4.876
local terms energy: -606.520525
where:
bonds (distance) C4'-P energy: -90.413
bonds (distance) P-C4' energy: -119.413
flat angles C4'-P-C4' energy: -123.783
flat angles P-C4'-P energy: -97.583
tors. eta vs tors. theta energy: -175.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1861.325634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.325634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.325634 (E_RNA)
where:
Base-Base interactions energy: -1252.757
where: short stacking energy: -485.320
Base-Backbone interact. energy: -0.238
local terms energy: -608.330158
where:
bonds (distance) C4'-P energy: -112.179
bonds (distance) P-C4' energy: -120.753
flat angles C4'-P-C4' energy: -121.629
flat angles P-C4'-P energy: -99.564
tors. eta vs tors. theta energy: -154.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1890.289283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.289283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.289283 (E_RNA)
where:
Base-Base interactions energy: -1326.820
where: short stacking energy: -505.676
Base-Backbone interact. energy: 0.136
local terms energy: -563.605509
where:
bonds (distance) C4'-P energy: -106.726
bonds (distance) P-C4' energy: -113.601
flat angles C4'-P-C4' energy: -127.452
flat angles P-C4'-P energy: -73.593
tors. eta vs tors. theta energy: -142.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1484.218542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.218542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.218542 (E_RNA)
where:
Base-Base interactions energy: -986.275
where: short stacking energy: -400.527
Base-Backbone interact. energy: 3.810
local terms energy: -501.754267
where:
bonds (distance) C4'-P energy: -109.118
bonds (distance) P-C4' energy: -113.560
flat angles C4'-P-C4' energy: -103.251
flat angles P-C4'-P energy: -82.675
tors. eta vs tors. theta energy: -93.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1201.770794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.770794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.770794 (E_RNA)
where:
Base-Base interactions energy: -764.249
where: short stacking energy: -336.131
Base-Backbone interact. energy: 4.941
local terms energy: -442.463458
where:
bonds (distance) C4'-P energy: -98.239
bonds (distance) P-C4' energy: -103.181
flat angles C4'-P-C4' energy: -117.606
flat angles P-C4'-P energy: -57.231
tors. eta vs tors. theta energy: -66.206
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: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -938.155588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.155588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.155588 (E_RNA)
where:
Base-Base interactions energy: -561.807
where: short stacking energy: -263.884
Base-Backbone interact. energy: -2.481
local terms energy: -373.867098
where:
bonds (distance) C4'-P energy: -92.327
bonds (distance) P-C4' energy: -103.149
flat angles C4'-P-C4' energy: -102.045
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -32.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -444.710187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.710187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.710187 (E_RNA)
where:
Base-Base interactions energy: -150.154
where: short stacking energy: -120.445
Base-Backbone interact. energy: -1.727
local terms energy: -292.828924
where:
bonds (distance) C4'-P energy: -86.614
bonds (distance) P-C4' energy: -97.629
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -59.997
tors. eta vs tors. theta energy: 12.629
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: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2393.316397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.316397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.316397 (E_RNA)
where:
Base-Base interactions energy: -1686.033
where: short stacking energy: -666.282
Base-Backbone interact. energy: -1.323
local terms energy: -705.960407
where:
bonds (distance) C4'-P energy: -121.322
bonds (distance) P-C4' energy: -131.803
flat angles C4'-P-C4' energy: -156.924
flat angles P-C4'-P energy: -101.967
tors. eta vs tors. theta energy: -193.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2297.889941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.889941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.889941 (E_RNA)
where:
Base-Base interactions energy: -1658.140
where: short stacking energy: -645.787
Base-Backbone interact. energy: -1.606
local terms energy: -638.143782
where:
bonds (distance) C4'-P energy: -104.509
bonds (distance) P-C4' energy: -121.634
flat angles C4'-P-C4' energy: -137.127
flat angles P-C4'-P energy: -92.471
tors. eta vs tors. theta energy: -182.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2166.138542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.138542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.138542 (E_RNA)
where:
Base-Base interactions energy: -1521.975
where: short stacking energy: -571.228
Base-Backbone interact. energy: -1.328
local terms energy: -642.835732
where:
bonds (distance) C4'-P energy: -116.092
bonds (distance) P-C4' energy: -119.218
flat angles C4'-P-C4' energy: -135.539
flat angles P-C4'-P energy: -96.303
tors. eta vs tors. theta energy: -175.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1994.818059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.818059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.818059 (E_RNA)
where:
Base-Base interactions energy: -1390.389
where: short stacking energy: -531.802
Base-Backbone interact. energy: -0.568
local terms energy: -603.861752
where:
bonds (distance) C4'-P energy: -107.376
bonds (distance) P-C4' energy: -121.649
flat angles C4'-P-C4' energy: -136.617
flat angles P-C4'-P energy: -86.926
tors. eta vs tors. theta energy: -151.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1920.385191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.385191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.385191 (E_RNA)
where:
Base-Base interactions energy: -1343.834
where: short stacking energy: -537.238
Base-Backbone interact. energy: 8.358
local terms energy: -584.909512
where:
bonds (distance) C4'-P energy: -107.710
bonds (distance) P-C4' energy: -109.124
flat angles C4'-P-C4' energy: -129.989
flat angles P-C4'-P energy: -81.505
tors. eta vs tors. theta energy: -156.581
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: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1766.727380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.727380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.727380 (E_RNA)
where:
Base-Base interactions energy: -1218.362
where: short stacking energy: -504.529
Base-Backbone interact. energy: 4.977
local terms energy: -553.342070
where:
bonds (distance) C4'-P energy: -99.697
bonds (distance) P-C4' energy: -104.626
flat angles C4'-P-C4' energy: -119.068
flat angles P-C4'-P energy: -85.850
tors. eta vs tors. theta energy: -144.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1467.362872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.362872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.362872 (E_RNA)
where:
Base-Base interactions energy: -1006.449
where: short stacking energy: -405.567
Base-Backbone interact. energy: -4.377
local terms energy: -456.536247
where:
bonds (distance) C4'-P energy: -87.319
bonds (distance) P-C4' energy: -89.859
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -72.557
tors. eta vs tors. theta energy: -98.244
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: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1271.505303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.505303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.505303 (E_RNA)
where:
Base-Base interactions energy: -773.519
where: short stacking energy: -348.572
Base-Backbone interact. energy: 0.711
local terms energy: -498.697885
where:
bonds (distance) C4'-P energy: -98.418
bonds (distance) P-C4' energy: -115.880
flat angles C4'-P-C4' energy: -114.546
flat angles P-C4'-P energy: -91.807
tors. eta vs tors. theta energy: -78.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -957.249651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.249651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.249651 (E_RNA)
where:
Base-Base interactions energy: -565.304
where: short stacking energy: -266.520
Base-Backbone interact. energy: 0.014
local terms energy: -391.959448
where:
bonds (distance) C4'-P energy: -96.375
bonds (distance) P-C4' energy: -96.055
flat angles C4'-P-C4' energy: -100.478
flat angles P-C4'-P energy: -62.142
tors. eta vs tors. theta energy: -36.909
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: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -430.494530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.494530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.494530 (E_RNA)
where:
Base-Base interactions energy: -129.019
where: short stacking energy: -100.990
Base-Backbone interact. energy: 3.783
local terms energy: -305.258828
where:
bonds (distance) C4'-P energy: -99.238
bonds (distance) P-C4' energy: -111.291
flat angles C4'-P-C4' energy: -66.023
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: 22.010
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: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2392.222602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.222602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.222602 (E_RNA)
where:
Base-Base interactions energy: -1691.229
where: short stacking energy: -673.710
Base-Backbone interact. energy: -1.836
local terms energy: -699.157989
where:
bonds (distance) C4'-P energy: -118.813
bonds (distance) P-C4' energy: -128.157
flat angles C4'-P-C4' energy: -150.682
flat angles P-C4'-P energy: -98.889
tors. eta vs tors. theta energy: -202.616
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: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2271.860609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.860609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.860609 (E_RNA)
where:
Base-Base interactions energy: -1626.435
where: short stacking energy: -632.570
Base-Backbone interact. energy: 0.925
local terms energy: -646.350302
where:
bonds (distance) C4'-P energy: -117.988
bonds (distance) P-C4' energy: -126.143
flat angles C4'-P-C4' energy: -128.823
flat angles P-C4'-P energy: -88.662
tors. eta vs tors. theta energy: -184.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2198.201429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.201429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.201429 (E_RNA)
where:
Base-Base interactions energy: -1542.998
where: short stacking energy: -615.970
Base-Backbone interact. energy: -1.337
local terms energy: -653.866474
where:
bonds (distance) C4'-P energy: -130.046
bonds (distance) P-C4' energy: -114.385
flat angles C4'-P-C4' energy: -128.041
flat angles P-C4'-P energy: -94.844
tors. eta vs tors. theta energy: -186.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1986.039589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.039589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.039589 (E_RNA)
where:
Base-Base interactions energy: -1369.099
where: short stacking energy: -546.175
Base-Backbone interact. energy: -3.267
local terms energy: -613.673528
where:
bonds (distance) C4'-P energy: -113.671
bonds (distance) P-C4' energy: -105.576
flat angles C4'-P-C4' energy: -129.653
flat angles P-C4'-P energy: -95.873
tors. eta vs tors. theta energy: -168.900
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: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1969.239743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.239743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.239743 (E_RNA)
where:
Base-Base interactions energy: -1382.288
where: short stacking energy: -534.287
Base-Backbone interact. energy: 2.153
local terms energy: -589.104465
where:
bonds (distance) C4'-P energy: -106.103
bonds (distance) P-C4' energy: -126.007
flat angles C4'-P-C4' energy: -132.979
flat angles P-C4'-P energy: -63.661
tors. eta vs tors. theta energy: -160.353
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: 327
Temperature: 1.150000
Total energy: -1782.280021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.280021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.280021 (E_RNA)
where:
Base-Base interactions energy: -1228.955
where: short stacking energy: -471.421
Base-Backbone interact. energy: -2.885
local terms energy: -550.440372
where:
bonds (distance) C4'-P energy: -112.418
bonds (distance) P-C4' energy: -113.671
flat angles C4'-P-C4' energy: -125.117
flat angles P-C4'-P energy: -76.105
tors. eta vs tors. theta energy: -123.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1544.096916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.096916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.096916 (E_RNA)
where:
Base-Base interactions energy: -1012.626
where: short stacking energy: -407.318
Base-Backbone interact. energy: -2.794
local terms energy: -528.676676
where:
bonds (distance) C4'-P energy: -86.784
bonds (distance) P-C4' energy: -125.067
flat angles C4'-P-C4' energy: -129.584
flat angles P-C4'-P energy: -69.530
tors. eta vs tors. theta energy: -117.711
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: 327
Temperature: 1.250000
Total energy: -1227.697029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.697029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.697029 (E_RNA)
where:
Base-Base interactions energy: -805.647
where: short stacking energy: -339.579
Base-Backbone interact. energy: -4.496
local terms energy: -417.554239
where:
bonds (distance) C4'-P energy: -99.337
bonds (distance) P-C4' energy: -89.061
flat angles C4'-P-C4' energy: -97.326
flat angles P-C4'-P energy: -63.365
tors. eta vs tors. theta energy: -68.465
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: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -993.340280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.340280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.340280 (E_RNA)
where:
Base-Base interactions energy: -594.441
where: short stacking energy: -264.291
Base-Backbone interact. energy: -0.497
local terms energy: -398.403161
where:
bonds (distance) C4'-P energy: -114.778
bonds (distance) P-C4' energy: -106.924
flat angles C4'-P-C4' energy: -100.594
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -34.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -498.646592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.646592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.646592 (E_RNA)
where:
Base-Base interactions energy: -170.570
where: short stacking energy: -132.820
Base-Backbone interact. energy: -1.486
local terms energy: -326.590177
where:
bonds (distance) C4'-P energy: -121.144
bonds (distance) P-C4' energy: -93.321
flat angles C4'-P-C4' energy: -91.325
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: 27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2394.902991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.902991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.902991 (E_RNA)
where:
Base-Base interactions energy: -1690.144
where: short stacking energy: -666.697
Base-Backbone interact. energy: -0.986
local terms energy: -703.773331
where:
bonds (distance) C4'-P energy: -124.354
bonds (distance) P-C4' energy: -126.393
flat angles C4'-P-C4' energy: -141.190
flat angles P-C4'-P energy: -98.988
tors. eta vs tors. theta energy: -212.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2277.518326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.518326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.518326 (E_RNA)
where:
Base-Base interactions energy: -1621.461
where: short stacking energy: -621.484
Base-Backbone interact. energy: -0.567
local terms energy: -655.489970
where:
bonds (distance) C4'-P energy: -122.352
bonds (distance) P-C4' energy: -127.525
flat angles C4'-P-C4' energy: -131.029
flat angles P-C4'-P energy: -95.038
tors. eta vs tors. theta energy: -179.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2198.637521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.637521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.637521 (E_RNA)
where:
Base-Base interactions energy: -1571.258
where: short stacking energy: -610.401
Base-Backbone interact. energy: -2.533
local terms energy: -624.847302
where:
bonds (distance) C4'-P energy: -100.705
bonds (distance) P-C4' energy: -115.810
flat angles C4'-P-C4' energy: -133.976
flat angles P-C4'-P energy: -90.830
tors. eta vs tors. theta energy: -183.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2025.376886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.376886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.376886 (E_RNA)
where:
Base-Base interactions energy: -1414.410
where: short stacking energy: -573.223
Base-Backbone interact. energy: -5.167
local terms energy: -605.800221
where:
bonds (distance) C4'-P energy: -121.142
bonds (distance) P-C4' energy: -91.800
flat angles C4'-P-C4' energy: -138.303
flat angles P-C4'-P energy: -80.605
tors. eta vs tors. theta energy: -173.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1931.108934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.108934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.108934 (E_RNA)
where:
Base-Base interactions energy: -1320.223
where: short stacking energy: -523.549
Base-Backbone interact. energy: -2.105
local terms energy: -608.781294
where:
bonds (distance) C4'-P energy: -126.582
bonds (distance) P-C4' energy: -125.743
flat angles C4'-P-C4' energy: -123.111
flat angles P-C4'-P energy: -85.159
tors. eta vs tors. theta energy: -148.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1783.315983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.315983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.315983 (E_RNA)
where:
Base-Base interactions energy: -1232.377
where: short stacking energy: -492.182
Base-Backbone interact. energy: -1.899
local terms energy: -549.039817
where:
bonds (distance) C4'-P energy: -93.782
bonds (distance) P-C4' energy: -105.358
flat angles C4'-P-C4' energy: -121.903
flat angles P-C4'-P energy: -71.781
tors. eta vs tors. theta energy: -156.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1565.086268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.086268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.086268 (E_RNA)
where:
Base-Base interactions energy: -1041.904
where: short stacking energy: -438.045
Base-Backbone interact. energy: 6.876
local terms energy: -530.058290
where:
bonds (distance) C4'-P energy: -95.805
bonds (distance) P-C4' energy: -112.485
flat angles C4'-P-C4' energy: -125.812
flat angles P-C4'-P energy: -64.278
tors. eta vs tors. theta energy: -131.678
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: 328
Temperature: 1.250000
Total energy: -1185.964990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.964990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.964990 (E_RNA)
where:
Base-Base interactions energy: -753.190
where: short stacking energy: -320.438
Base-Backbone interact. energy: 0.986
local terms energy: -433.760357
where:
bonds (distance) C4'-P energy: -109.278
bonds (distance) P-C4' energy: -96.267
flat angles C4'-P-C4' energy: -110.587
flat angles P-C4'-P energy: -70.929
tors. eta vs tors. theta energy: -46.698
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -980.854878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.854878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.854878 (E_RNA)
where:
Base-Base interactions energy: -559.523
where: short stacking energy: -266.936
Base-Backbone interact. energy: -2.644
local terms energy: -418.688185
where:
bonds (distance) C4'-P energy: -121.826
bonds (distance) P-C4' energy: -90.601
flat angles C4'-P-C4' energy: -94.728
flat angles P-C4'-P energy: -68.556
tors. eta vs tors. theta energy: -42.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -462.133935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.133935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.133935 (E_RNA)
where:
Base-Base interactions energy: -169.763
where: short stacking energy: -133.687
Base-Backbone interact. energy: -2.279
local terms energy: -290.092459
where:
bonds (distance) C4'-P energy: -90.807
bonds (distance) P-C4' energy: -105.976
flat angles C4'-P-C4' energy: -68.352
flat angles P-C4'-P energy: -51.514
tors. eta vs tors. theta energy: 26.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2407.980642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.980642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.980642 (E_RNA)
where:
Base-Base interactions energy: -1666.487
where: short stacking energy: -671.598
Base-Backbone interact. energy: 2.778
local terms energy: -744.271662
where:
bonds (distance) C4'-P energy: -133.696
bonds (distance) P-C4' energy: -132.205
flat angles C4'-P-C4' energy: -157.563
flat angles P-C4'-P energy: -110.145
tors. eta vs tors. theta energy: -210.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2270.962077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.962077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.962077 (E_RNA)
where:
Base-Base interactions energy: -1596.638
where: short stacking energy: -617.976
Base-Backbone interact. energy: -1.650
local terms energy: -672.674335
where:
bonds (distance) C4'-P energy: -120.925
bonds (distance) P-C4' energy: -135.742
flat angles C4'-P-C4' energy: -149.943
flat angles P-C4'-P energy: -85.395
tors. eta vs tors. theta energy: -180.669
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: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2219.325071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.325071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.325071 (E_RNA)
where:
Base-Base interactions energy: -1602.357
where: short stacking energy: -606.811
Base-Backbone interact. energy: -2.422
local terms energy: -614.546725
where:
bonds (distance) C4'-P energy: -106.052
bonds (distance) P-C4' energy: -113.598
flat angles C4'-P-C4' energy: -133.111
flat angles P-C4'-P energy: -85.413
tors. eta vs tors. theta energy: -176.372
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: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2000.182095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.182095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.182095 (E_RNA)
where:
Base-Base interactions energy: -1394.549
where: short stacking energy: -559.800
Base-Backbone interact. energy: -0.695
local terms energy: -604.938277
where:
bonds (distance) C4'-P energy: -126.131
bonds (distance) P-C4' energy: -85.904
flat angles C4'-P-C4' energy: -137.155
flat angles P-C4'-P energy: -91.293
tors. eta vs tors. theta energy: -164.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1926.049175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.049175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.049175 (E_RNA)
where:
Base-Base interactions energy: -1334.066
where: short stacking energy: -521.016
Base-Backbone interact. energy: 0.348
local terms energy: -592.330631
where:
bonds (distance) C4'-P energy: -109.423
bonds (distance) P-C4' energy: -117.895
flat angles C4'-P-C4' energy: -139.748
flat angles P-C4'-P energy: -79.757
tors. eta vs tors. theta energy: -145.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1738.637706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.637706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.637706 (E_RNA)
where:
Base-Base interactions energy: -1188.671
where: short stacking energy: -466.452
Base-Backbone interact. energy: 2.423
local terms energy: -552.390230
where:
bonds (distance) C4'-P energy: -103.227
bonds (distance) P-C4' energy: -105.776
flat angles C4'-P-C4' energy: -128.314
flat angles P-C4'-P energy: -84.386
tors. eta vs tors. theta energy: -130.688
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: 329
Temperature: 1.200000
Total energy: -1572.877162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.877162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.877162 (E_RNA)
where:
Base-Base interactions energy: -1036.544
where: short stacking energy: -435.504
Base-Backbone interact. energy: -2.043
local terms energy: -534.290903
where:
bonds (distance) C4'-P energy: -109.244
bonds (distance) P-C4' energy: -106.530
flat angles C4'-P-C4' energy: -105.467
flat angles P-C4'-P energy: -87.004
tors. eta vs tors. theta energy: -126.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1210.361828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.361828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.361828 (E_RNA)
where:
Base-Base interactions energy: -757.735
where: short stacking energy: -336.008
Base-Backbone interact. energy: 0.691
local terms energy: -453.318393
where:
bonds (distance) C4'-P energy: -94.382
bonds (distance) P-C4' energy: -106.505
flat angles C4'-P-C4' energy: -112.406
flat angles P-C4'-P energy: -62.966
tors. eta vs tors. theta energy: -77.060
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: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1035.046133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.046133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.046133 (E_RNA)
where:
Base-Base interactions energy: -615.049
where: short stacking energy: -306.422
Base-Backbone interact. energy: 1.611
local terms energy: -421.607889
where:
bonds (distance) C4'-P energy: -104.194
bonds (distance) P-C4' energy: -108.548
flat angles C4'-P-C4' energy: -117.650
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -47.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -444.804687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.804687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.804687 (E_RNA)
where:
Base-Base interactions energy: -147.526
where: short stacking energy: -130.906
Base-Backbone interact. energy: 1.543
local terms energy: -298.821147
where:
bonds (distance) C4'-P energy: -98.679
bonds (distance) P-C4' energy: -99.680
flat angles C4'-P-C4' energy: -71.617
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: 10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2424.744608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.744608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.744608 (E_RNA)
where:
Base-Base interactions energy: -1708.392
where: short stacking energy: -685.691
Base-Backbone interact. energy: -1.758
local terms energy: -714.594186
where:
bonds (distance) C4'-P energy: -120.535
bonds (distance) P-C4' energy: -125.802
flat angles C4'-P-C4' energy: -154.515
flat angles P-C4'-P energy: -99.489
tors. eta vs tors. theta energy: -214.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2264.031076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.031076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.031076 (E_RNA)
where:
Base-Base interactions energy: -1611.905
where: short stacking energy: -642.874
Base-Backbone interact. energy: -0.389
local terms energy: -651.737291
where:
bonds (distance) C4'-P energy: -104.992
bonds (distance) P-C4' energy: -126.038
flat angles C4'-P-C4' energy: -146.954
flat angles P-C4'-P energy: -93.129
tors. eta vs tors. theta energy: -180.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2179.969155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.969155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.969155 (E_RNA)
where:
Base-Base interactions energy: -1543.087
where: short stacking energy: -586.456
Base-Backbone interact. energy: 2.507
local terms energy: -639.389641
where:
bonds (distance) C4'-P energy: -106.939
bonds (distance) P-C4' energy: -119.058
flat angles C4'-P-C4' energy: -137.772
flat angles P-C4'-P energy: -101.615
tors. eta vs tors. theta energy: -174.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2014.699454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.699454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.699454 (E_RNA)
where:
Base-Base interactions energy: -1378.954
where: short stacking energy: -568.861
Base-Backbone interact. energy: -1.433
local terms energy: -634.311831
where:
bonds (distance) C4'-P energy: -115.108
bonds (distance) P-C4' energy: -125.667
flat angles C4'-P-C4' energy: -136.012
flat angles P-C4'-P energy: -86.505
tors. eta vs tors. theta energy: -171.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1908.460838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.460838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.460838 (E_RNA)
where:
Base-Base interactions energy: -1342.616
where: short stacking energy: -510.371
Base-Backbone interact. energy: -2.889
local terms energy: -562.955037
where:
bonds (distance) C4'-P energy: -112.923
bonds (distance) P-C4' energy: -105.174
flat angles C4'-P-C4' energy: -117.206
flat angles P-C4'-P energy: -78.734
tors. eta vs tors. theta energy: -148.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1741.850164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.850164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.850164 (E_RNA)
where:
Base-Base interactions energy: -1158.278
where: short stacking energy: -460.589
Base-Backbone interact. energy: -3.379
local terms energy: -580.193005
where:
bonds (distance) C4'-P energy: -111.676
bonds (distance) P-C4' energy: -117.804
flat angles C4'-P-C4' energy: -132.424
flat angles P-C4'-P energy: -82.597
tors. eta vs tors. theta energy: -135.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1501.886003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.886003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.886003 (E_RNA)
where:
Base-Base interactions energy: -987.353
where: short stacking energy: -406.351
Base-Backbone interact. energy: -2.806
local terms energy: -511.726752
where:
bonds (distance) C4'-P energy: -106.742
bonds (distance) P-C4' energy: -98.225
flat angles C4'-P-C4' energy: -123.111
flat angles P-C4'-P energy: -69.344
tors. eta vs tors. theta energy: -114.305
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: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1214.494377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.494377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.494377 (E_RNA)
where:
Base-Base interactions energy: -758.558
where: short stacking energy: -319.484
Base-Backbone interact. energy: 2.489
local terms energy: -458.424674
where:
bonds (distance) C4'-P energy: -88.047
bonds (distance) P-C4' energy: -117.014
flat angles C4'-P-C4' energy: -115.975
flat angles P-C4'-P energy: -68.465
tors. eta vs tors. theta energy: -68.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1002.121957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.121957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.121957 (E_RNA)
where:
Base-Base interactions energy: -627.344
where: short stacking energy: -245.840
Base-Backbone interact. energy: -2.841
local terms energy: -371.937073
where:
bonds (distance) C4'-P energy: -106.905
bonds (distance) P-C4' energy: -90.913
flat angles C4'-P-C4' energy: -89.123
flat angles P-C4'-P energy: -55.502
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -459.244368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.244368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.244368 (E_RNA)
where:
Base-Base interactions energy: -164.620
where: short stacking energy: -146.876
Base-Backbone interact. energy: 4.338
local terms energy: -298.962455
where:
bonds (distance) C4'-P energy: -71.883
bonds (distance) P-C4' energy: -95.812
flat angles C4'-P-C4' energy: -77.621
flat angles P-C4'-P energy: -66.777
tors. eta vs tors. theta energy: 13.131
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: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2392.009780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.009780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.009780 (E_RNA)
where:
Base-Base interactions energy: -1680.332
where: short stacking energy: -683.380
Base-Backbone interact. energy: -1.126
local terms energy: -710.551082
where:
bonds (distance) C4'-P energy: -117.699
bonds (distance) P-C4' energy: -122.011
flat angles C4'-P-C4' energy: -160.269
flat angles P-C4'-P energy: -96.667
tors. eta vs tors. theta energy: -213.905
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: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2242.809513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.809513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.809513 (E_RNA)
where:
Base-Base interactions energy: -1577.365
where: short stacking energy: -639.096
Base-Backbone interact. energy: -3.183
local terms energy: -662.261411
where:
bonds (distance) C4'-P energy: -119.931
bonds (distance) P-C4' energy: -128.662
flat angles C4'-P-C4' energy: -142.134
flat angles P-C4'-P energy: -93.370
tors. eta vs tors. theta energy: -178.165
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: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2149.299946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.299946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.299946 (E_RNA)
where:
Base-Base interactions energy: -1530.963
where: short stacking energy: -573.432
Base-Backbone interact. energy: -3.574
local terms energy: -614.762488
where:
bonds (distance) C4'-P energy: -107.419
bonds (distance) P-C4' energy: -119.853
flat angles C4'-P-C4' energy: -135.575
flat angles P-C4'-P energy: -83.339
tors. eta vs tors. theta energy: -168.577
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: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2008.172743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.172743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.172743 (E_RNA)
where:
Base-Base interactions energy: -1417.744
where: short stacking energy: -558.634
Base-Backbone interact. energy: 1.930
local terms energy: -592.358388
where:
bonds (distance) C4'-P energy: -101.898
bonds (distance) P-C4' energy: -117.499
flat angles C4'-P-C4' energy: -135.827
flat angles P-C4'-P energy: -89.763
tors. eta vs tors. theta energy: -147.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1947.371047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.371047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.371047 (E_RNA)
where:
Base-Base interactions energy: -1372.953
where: short stacking energy: -539.719
Base-Backbone interact. energy: -1.514
local terms energy: -572.904567
where:
bonds (distance) C4'-P energy: -106.899
bonds (distance) P-C4' energy: -95.284
flat angles C4'-P-C4' energy: -136.066
flat angles P-C4'-P energy: -80.780
tors. eta vs tors. theta energy: -153.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1700.120977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.120977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.120977 (E_RNA)
where:
Base-Base interactions energy: -1154.853
where: short stacking energy: -456.011
Base-Backbone interact. energy: 0.253
local terms energy: -545.520835
where:
bonds (distance) C4'-P energy: -112.068
bonds (distance) P-C4' energy: -103.434
flat angles C4'-P-C4' energy: -115.807
flat angles P-C4'-P energy: -87.815
tors. eta vs tors. theta energy: -126.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1471.516110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.516110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.516110 (E_RNA)
where:
Base-Base interactions energy: -977.213
where: short stacking energy: -397.876
Base-Backbone interact. energy: -2.126
local terms energy: -492.177100
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -111.327
flat angles C4'-P-C4' energy: -112.145
flat angles P-C4'-P energy: -67.975
tors. eta vs tors. theta energy: -96.171
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: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1209.113430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.113430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.113430 (E_RNA)
where:
Base-Base interactions energy: -761.787
where: short stacking energy: -351.359
Base-Backbone interact. energy: 2.213
local terms energy: -449.538758
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -107.057
flat angles C4'-P-C4' energy: -105.341
flat angles P-C4'-P energy: -65.866
tors. eta vs tors. theta energy: -73.288
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: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1056.666128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.666128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.666128 (E_RNA)
where:
Base-Base interactions energy: -637.075
where: short stacking energy: -315.109
Base-Backbone interact. energy: -1.312
local terms energy: -418.279118
where:
bonds (distance) C4'-P energy: -84.182
bonds (distance) P-C4' energy: -94.437
flat angles C4'-P-C4' energy: -114.360
flat angles P-C4'-P energy: -56.074
tors. eta vs tors. theta energy: -69.226
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: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -420.902414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.902414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.902414 (E_RNA)
where:
Base-Base interactions energy: -121.249
where: short stacking energy: -108.632
Base-Backbone interact. energy: -0.631
local terms energy: -299.022881
where:
bonds (distance) C4'-P energy: -93.434
bonds (distance) P-C4' energy: -99.366
flat angles C4'-P-C4' energy: -85.484
flat angles P-C4'-P energy: -53.406
tors. eta vs tors. theta energy: 32.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2374.193352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.193352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.193352 (E_RNA)
where:
Base-Base interactions energy: -1668.073
where: short stacking energy: -660.383
Base-Backbone interact. energy: -1.046
local terms energy: -705.074057
where:
bonds (distance) C4'-P energy: -135.845
bonds (distance) P-C4' energy: -130.276
flat angles C4'-P-C4' energy: -139.909
flat angles P-C4'-P energy: -100.563
tors. eta vs tors. theta energy: -198.482
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2278.099465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.099465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.099465 (E_RNA)
where:
Base-Base interactions energy: -1619.980
where: short stacking energy: -619.938
Base-Backbone interact. energy: -0.918
local terms energy: -657.201063
where:
bonds (distance) C4'-P energy: -127.506
bonds (distance) P-C4' energy: -124.196
flat angles C4'-P-C4' energy: -133.714
flat angles P-C4'-P energy: -97.190
tors. eta vs tors. theta energy: -174.595
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: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2151.247629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.247629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.247629 (E_RNA)
where:
Base-Base interactions energy: -1547.487
where: short stacking energy: -566.592
Base-Backbone interact. energy: 1.590
local terms energy: -605.349729
where:
bonds (distance) C4'-P energy: -111.381
bonds (distance) P-C4' energy: -102.305
flat angles C4'-P-C4' energy: -131.751
flat angles P-C4'-P energy: -91.774
tors. eta vs tors. theta energy: -168.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2012.375079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.375079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.375079 (E_RNA)
where:
Base-Base interactions energy: -1425.413
where: short stacking energy: -585.416
Base-Backbone interact. energy: -2.453
local terms energy: -584.509222
where:
bonds (distance) C4'-P energy: -96.748
bonds (distance) P-C4' energy: -98.272
flat angles C4'-P-C4' energy: -136.393
flat angles P-C4'-P energy: -90.387
tors. eta vs tors. theta energy: -162.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1938.032235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.032235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.032235 (E_RNA)
where:
Base-Base interactions energy: -1342.677
where: short stacking energy: -532.315
Base-Backbone interact. energy: -5.516
local terms energy: -589.839184
where:
bonds (distance) C4'-P energy: -105.982
bonds (distance) P-C4' energy: -121.302
flat angles C4'-P-C4' energy: -130.695
flat angles P-C4'-P energy: -78.976
tors. eta vs tors. theta energy: -152.884
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: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1680.217491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.217491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.217491 (E_RNA)
where:
Base-Base interactions energy: -1155.448
where: short stacking energy: -450.708
Base-Backbone interact. energy: 0.075
local terms energy: -524.844747
where:
bonds (distance) C4'-P energy: -93.454
bonds (distance) P-C4' energy: -92.935
flat angles C4'-P-C4' energy: -129.233
flat angles P-C4'-P energy: -75.892
tors. eta vs tors. theta energy: -133.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1454.809806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.809806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.809806 (E_RNA)
where:
Base-Base interactions energy: -957.883
where: short stacking energy: -398.628
Base-Backbone interact. energy: -2.464
local terms energy: -494.462972
where:
bonds (distance) C4'-P energy: -99.526
bonds (distance) P-C4' energy: -117.698
flat angles C4'-P-C4' energy: -102.877
flat angles P-C4'-P energy: -76.710
tors. eta vs tors. theta energy: -97.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1234.809071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.809071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.809071 (E_RNA)
where:
Base-Base interactions energy: -780.418
where: short stacking energy: -353.313
Base-Backbone interact. energy: -2.863
local terms energy: -451.527992
where:
bonds (distance) C4'-P energy: -100.279
bonds (distance) P-C4' energy: -102.920
flat angles C4'-P-C4' energy: -99.098
flat angles P-C4'-P energy: -67.532
tors. eta vs tors. theta energy: -81.698
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: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1029.721012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.721012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.721012 (E_RNA)
where:
Base-Base interactions energy: -622.631
where: short stacking energy: -286.961
Base-Backbone interact. energy: 0.103
local terms energy: -407.192529
where:
bonds (distance) C4'-P energy: -99.003
bonds (distance) P-C4' energy: -103.101
flat angles C4'-P-C4' energy: -106.570
flat angles P-C4'-P energy: -54.513
tors. eta vs tors. theta energy: -44.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -447.964277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.964277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.964277 (E_RNA)
where:
Base-Base interactions energy: -135.946
where: short stacking energy: -113.155
Base-Backbone interact. energy: 2.506
local terms energy: -314.524030
where:
bonds (distance) C4'-P energy: -85.216
bonds (distance) P-C4' energy: -105.509
flat angles C4'-P-C4' energy: -89.146
flat angles P-C4'-P energy: -55.419
tors. eta vs tors. theta energy: 20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2385.845866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.845866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.845866 (E_RNA)
where:
Base-Base interactions energy: -1668.984
where: short stacking energy: -658.619
Base-Backbone interact. energy: -3.492
local terms energy: -713.370175
where:
bonds (distance) C4'-P energy: -126.637
bonds (distance) P-C4' energy: -128.613
flat angles C4'-P-C4' energy: -153.917
flat angles P-C4'-P energy: -102.344
tors. eta vs tors. theta energy: -201.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2258.162993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.162993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.162993 (E_RNA)
where:
Base-Base interactions energy: -1598.812
where: short stacking energy: -618.048
Base-Backbone interact. energy: -2.049
local terms energy: -657.301845
where:
bonds (distance) C4'-P energy: -119.943
bonds (distance) P-C4' energy: -118.444
flat angles C4'-P-C4' energy: -147.584
flat angles P-C4'-P energy: -92.871
tors. eta vs tors. theta energy: -178.461
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: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2155.437312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.437312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.437312 (E_RNA)
where:
Base-Base interactions energy: -1528.036
where: short stacking energy: -585.502
Base-Backbone interact. energy: -4.488
local terms energy: -622.912944
where:
bonds (distance) C4'-P energy: -113.250
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -135.438
flat angles P-C4'-P energy: -89.410
tors. eta vs tors. theta energy: -180.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2040.101136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.101136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.101136 (E_RNA)
where:
Base-Base interactions energy: -1426.693
where: short stacking energy: -543.360
Base-Backbone interact. energy: -0.448
local terms energy: -612.960218
where:
bonds (distance) C4'-P energy: -119.623
bonds (distance) P-C4' energy: -108.404
flat angles C4'-P-C4' energy: -135.671
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -163.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1935.900821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.900821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.900821 (E_RNA)
where:
Base-Base interactions energy: -1338.526
where: short stacking energy: -545.871
Base-Backbone interact. energy: 1.421
local terms energy: -598.795275
where:
bonds (distance) C4'-P energy: -119.877
bonds (distance) P-C4' energy: -117.939
flat angles C4'-P-C4' energy: -134.323
flat angles P-C4'-P energy: -70.443
tors. eta vs tors. theta energy: -156.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1703.970700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.970700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.970700 (E_RNA)
where:
Base-Base interactions energy: -1169.980
where: short stacking energy: -466.865
Base-Backbone interact. energy: 5.999
local terms energy: -539.990236
where:
bonds (distance) C4'-P energy: -108.237
bonds (distance) P-C4' energy: -107.763
flat angles C4'-P-C4' energy: -115.319
flat angles P-C4'-P energy: -76.754
tors. eta vs tors. theta energy: -131.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1492.166277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.166277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.166277 (E_RNA)
where:
Base-Base interactions energy: -1005.165
where: short stacking energy: -415.946
Base-Backbone interact. energy: 1.354
local terms energy: -488.355530
where:
bonds (distance) C4'-P energy: -99.063
bonds (distance) P-C4' energy: -117.766
flat angles C4'-P-C4' energy: -103.110
flat angles P-C4'-P energy: -68.736
tors. eta vs tors. theta energy: -99.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1227.198915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.198915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.198915 (E_RNA)
where:
Base-Base interactions energy: -788.933
where: short stacking energy: -335.929
Base-Backbone interact. energy: 1.706
local terms energy: -439.971615
where:
bonds (distance) C4'-P energy: -97.110
bonds (distance) P-C4' energy: -111.058
flat angles C4'-P-C4' energy: -127.773
flat angles P-C4'-P energy: -53.568
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: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1074.755170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.755170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.755170 (E_RNA)
where:
Base-Base interactions energy: -650.153
where: short stacking energy: -297.124
Base-Backbone interact. energy: 1.086
local terms energy: -425.688030
where:
bonds (distance) C4'-P energy: -112.249
bonds (distance) P-C4' energy: -83.818
flat angles C4'-P-C4' energy: -92.861
flat angles P-C4'-P energy: -72.933
tors. eta vs tors. theta energy: -63.826
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: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -433.490586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.490586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.490586 (E_RNA)
where:
Base-Base interactions energy: -123.415
where: short stacking energy: -105.692
Base-Backbone interact. energy: -4.129
local terms energy: -305.947067
where:
bonds (distance) C4'-P energy: -102.180
bonds (distance) P-C4' energy: -109.191
flat angles C4'-P-C4' energy: -83.285
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: 34.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2383.439389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.439389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.439389 (E_RNA)
where:
Base-Base interactions energy: -1675.625
where: short stacking energy: -668.715
Base-Backbone interact. energy: 0.181
local terms energy: -707.995337
where:
bonds (distance) C4'-P energy: -128.810
bonds (distance) P-C4' energy: -127.953
flat angles C4'-P-C4' energy: -149.502
flat angles P-C4'-P energy: -97.765
tors. eta vs tors. theta energy: -203.966
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2252.225482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.225482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.225482 (E_RNA)
where:
Base-Base interactions energy: -1590.686
where: short stacking energy: -624.177
Base-Backbone interact. energy: -1.563
local terms energy: -659.976771
where:
bonds (distance) C4'-P energy: -126.938
bonds (distance) P-C4' energy: -127.013
flat angles C4'-P-C4' energy: -143.879
flat angles P-C4'-P energy: -85.882
tors. eta vs tors. theta energy: -176.265
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: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2173.547442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.547442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.547442 (E_RNA)
where:
Base-Base interactions energy: -1529.713
where: short stacking energy: -579.239
Base-Backbone interact. energy: 1.364
local terms energy: -645.198401
where:
bonds (distance) C4'-P energy: -125.027
bonds (distance) P-C4' energy: -124.845
flat angles C4'-P-C4' energy: -131.478
flat angles P-C4'-P energy: -89.430
tors. eta vs tors. theta energy: -174.419
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: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2021.410993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.410993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.410993 (E_RNA)
where:
Base-Base interactions energy: -1410.313
where: short stacking energy: -560.871
Base-Backbone interact. energy: 5.519
local terms energy: -616.617740
where:
bonds (distance) C4'-P energy: -112.376
bonds (distance) P-C4' energy: -128.171
flat angles C4'-P-C4' energy: -133.701
flat angles P-C4'-P energy: -78.368
tors. eta vs tors. theta energy: -164.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1895.005825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.005825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.005825 (E_RNA)
where:
Base-Base interactions energy: -1270.228
where: short stacking energy: -509.059
Base-Backbone interact. energy: -5.410
local terms energy: -619.368484
where:
bonds (distance) C4'-P energy: -123.001
bonds (distance) P-C4' energy: -117.827
flat angles C4'-P-C4' energy: -137.642
flat angles P-C4'-P energy: -94.719
tors. eta vs tors. theta energy: -146.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1736.628427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.628427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.628427 (E_RNA)
where:
Base-Base interactions energy: -1169.344
where: short stacking energy: -489.549
Base-Backbone interact. energy: 5.340
local terms energy: -572.625081
where:
bonds (distance) C4'-P energy: -101.766
bonds (distance) P-C4' energy: -109.578
flat angles C4'-P-C4' energy: -130.663
flat angles P-C4'-P energy: -89.665
tors. eta vs tors. theta energy: -140.953
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: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1506.123014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.123014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.123014 (E_RNA)
where:
Base-Base interactions energy: -987.100
where: short stacking energy: -395.244
Base-Backbone interact. energy: -3.657
local terms energy: -515.366463
where:
bonds (distance) C4'-P energy: -108.165
bonds (distance) P-C4' energy: -129.461
flat angles C4'-P-C4' energy: -96.900
flat angles P-C4'-P energy: -72.266
tors. eta vs tors. theta energy: -108.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1184.059810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.059810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.059810 (E_RNA)
where:
Base-Base interactions energy: -757.103
where: short stacking energy: -317.757
Base-Backbone interact. energy: -0.406
local terms energy: -426.550855
where:
bonds (distance) C4'-P energy: -94.772
bonds (distance) P-C4' energy: -102.671
flat angles C4'-P-C4' energy: -102.172
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -74.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1019.729892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.729892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.729892 (E_RNA)
where:
Base-Base interactions energy: -603.451
where: short stacking energy: -283.189
Base-Backbone interact. energy: 6.574
local terms energy: -422.853356
where:
bonds (distance) C4'-P energy: -96.363
bonds (distance) P-C4' energy: -107.738
flat angles C4'-P-C4' energy: -106.654
flat angles P-C4'-P energy: -63.578
tors. eta vs tors. theta energy: -48.521
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: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -437.829858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.829858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.829858 (E_RNA)
where:
Base-Base interactions energy: -134.497
where: short stacking energy: -102.454
Base-Backbone interact. energy: 2.503
local terms energy: -305.835501
where:
bonds (distance) C4'-P energy: -90.216
bonds (distance) P-C4' energy: -110.749
flat angles C4'-P-C4' energy: -87.003
flat angles P-C4'-P energy: -54.867
tors. eta vs tors. theta energy: 36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2403.556210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.556210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.556210 (E_RNA)
where:
Base-Base interactions energy: -1712.674
where: short stacking energy: -682.251
Base-Backbone interact. energy: -2.416
local terms energy: -688.465436
where:
bonds (distance) C4'-P energy: -112.233
bonds (distance) P-C4' energy: -125.654
flat angles C4'-P-C4' energy: -144.864
flat angles P-C4'-P energy: -101.866
tors. eta vs tors. theta energy: -203.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2241.869021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.869021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.869021 (E_RNA)
where:
Base-Base interactions energy: -1609.382
where: short stacking energy: -612.406
Base-Backbone interact. energy: -0.302
local terms energy: -632.184976
where:
bonds (distance) C4'-P energy: -107.449
bonds (distance) P-C4' energy: -130.601
flat angles C4'-P-C4' energy: -131.573
flat angles P-C4'-P energy: -87.613
tors. eta vs tors. theta energy: -174.949
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: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2184.802696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.802696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.802696 (E_RNA)
where:
Base-Base interactions energy: -1526.277
where: short stacking energy: -596.930
Base-Backbone interact. energy: -4.115
local terms energy: -654.410986
where:
bonds (distance) C4'-P energy: -132.890
bonds (distance) P-C4' energy: -113.235
flat angles C4'-P-C4' energy: -130.411
flat angles P-C4'-P energy: -96.116
tors. eta vs tors. theta energy: -181.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2079.075368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.075368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.075368 (E_RNA)
where:
Base-Base interactions energy: -1465.208
where: short stacking energy: -578.381
Base-Backbone interact. energy: 7.797
local terms energy: -621.663937
where:
bonds (distance) C4'-P energy: -116.888
bonds (distance) P-C4' energy: -126.304
flat angles C4'-P-C4' energy: -124.328
flat angles P-C4'-P energy: -92.650
tors. eta vs tors. theta energy: -161.493
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: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1922.450881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.450881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.450881 (E_RNA)
where:
Base-Base interactions energy: -1356.128
where: short stacking energy: -551.198
Base-Backbone interact. energy: -1.693
local terms energy: -564.630264
where:
bonds (distance) C4'-P energy: -84.375
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -128.286
flat angles P-C4'-P energy: -101.245
tors. eta vs tors. theta energy: -146.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1777.456321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.456321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.456321 (E_RNA)
where:
Base-Base interactions energy: -1228.272
where: short stacking energy: -509.170
Base-Backbone interact. energy: 3.808
local terms energy: -552.992295
where:
bonds (distance) C4'-P energy: -100.803
bonds (distance) P-C4' energy: -92.319
flat angles C4'-P-C4' energy: -127.316
flat angles P-C4'-P energy: -82.861
tors. eta vs tors. theta energy: -149.694
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: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1563.381570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.381570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.381570 (E_RNA)
where:
Base-Base interactions energy: -1059.397
where: short stacking energy: -413.836
Base-Backbone interact. energy: -0.225
local terms energy: -503.759772
where:
bonds (distance) C4'-P energy: -97.609
bonds (distance) P-C4' energy: -102.410
flat angles C4'-P-C4' energy: -107.784
flat angles P-C4'-P energy: -79.930
tors. eta vs tors. theta energy: -116.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1219.036739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.036739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.036739 (E_RNA)
where:
Base-Base interactions energy: -785.720
where: short stacking energy: -323.669
Base-Backbone interact. energy: 1.747
local terms energy: -435.063201
where:
bonds (distance) C4'-P energy: -91.788
bonds (distance) P-C4' energy: -112.708
flat angles C4'-P-C4' energy: -85.584
flat angles P-C4'-P energy: -69.156
tors. eta vs tors. theta energy: -75.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1001.235974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.235974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.235974 (E_RNA)
where:
Base-Base interactions energy: -575.769
where: short stacking energy: -273.662
Base-Backbone interact. energy: -1.950
local terms energy: -423.516637
where:
bonds (distance) C4'-P energy: -92.842
bonds (distance) P-C4' energy: -106.222
flat angles C4'-P-C4' energy: -105.055
flat angles P-C4'-P energy: -63.248
tors. eta vs tors. theta energy: -56.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -459.734817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.734817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.734817 (E_RNA)
where:
Base-Base interactions energy: -140.796
where: short stacking energy: -119.641
Base-Backbone interact. energy: 2.654
local terms energy: -321.592323
where:
bonds (distance) C4'-P energy: -92.977
bonds (distance) P-C4' energy: -85.311
flat angles C4'-P-C4' energy: -101.099
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: 9.456
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: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2427.231863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.231863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.231863 (E_RNA)
where:
Base-Base interactions energy: -1702.897
where: short stacking energy: -663.220
Base-Backbone interact. energy: -1.557
local terms energy: -722.778394
where:
bonds (distance) C4'-P energy: -132.887
bonds (distance) P-C4' energy: -133.644
flat angles C4'-P-C4' energy: -142.628
flat angles P-C4'-P energy: -109.254
tors. eta vs tors. theta energy: -204.366
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: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2264.144586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.144586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.144586 (E_RNA)
where:
Base-Base interactions energy: -1596.820
where: short stacking energy: -620.112
Base-Backbone interact. energy: -0.044
local terms energy: -667.280871
where:
bonds (distance) C4'-P energy: -126.021
bonds (distance) P-C4' energy: -128.776
flat angles C4'-P-C4' energy: -146.516
flat angles P-C4'-P energy: -83.557
tors. eta vs tors. theta energy: -182.411
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: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2205.712858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.712858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.712858 (E_RNA)
where:
Base-Base interactions energy: -1555.294
where: short stacking energy: -597.600
Base-Backbone interact. energy: -2.418
local terms energy: -648.001219
where:
bonds (distance) C4'-P energy: -104.679
bonds (distance) P-C4' energy: -124.372
flat angles C4'-P-C4' energy: -139.671
flat angles P-C4'-P energy: -93.922
tors. eta vs tors. theta energy: -185.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2092.761542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.761542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.761542 (E_RNA)
where:
Base-Base interactions energy: -1456.874
where: short stacking energy: -594.094
Base-Backbone interact. energy: 2.114
local terms energy: -638.001764
where:
bonds (distance) C4'-P energy: -121.040
bonds (distance) P-C4' energy: -131.849
flat angles C4'-P-C4' energy: -137.342
flat angles P-C4'-P energy: -85.557
tors. eta vs tors. theta energy: -162.213
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: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1928.509174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.509174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.509174 (E_RNA)
where:
Base-Base interactions energy: -1323.904
where: short stacking energy: -521.204
Base-Backbone interact. energy: -4.933
local terms energy: -599.672682
where:
bonds (distance) C4'-P energy: -108.507
bonds (distance) P-C4' energy: -126.838
flat angles C4'-P-C4' energy: -129.297
flat angles P-C4'-P energy: -84.848
tors. eta vs tors. theta energy: -150.183
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: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1755.456434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.456434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.456434 (E_RNA)
where:
Base-Base interactions energy: -1201.396
where: short stacking energy: -488.892
Base-Backbone interact. energy: 7.730
local terms energy: -561.790980
where:
bonds (distance) C4'-P energy: -106.591
bonds (distance) P-C4' energy: -104.649
flat angles C4'-P-C4' energy: -115.212
flat angles P-C4'-P energy: -91.461
tors. eta vs tors. theta energy: -143.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1556.792419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.792419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.792419 (E_RNA)
where:
Base-Base interactions energy: -1052.871
where: short stacking energy: -437.289
Base-Backbone interact. energy: 2.162
local terms energy: -506.082988
where:
bonds (distance) C4'-P energy: -110.290
bonds (distance) P-C4' energy: -88.993
flat angles C4'-P-C4' energy: -111.654
flat angles P-C4'-P energy: -75.932
tors. eta vs tors. theta energy: -119.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1219.139408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.139408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.139408 (E_RNA)
where:
Base-Base interactions energy: -752.088
where: short stacking energy: -352.253
Base-Backbone interact. energy: -1.710
local terms energy: -465.341100
where:
bonds (distance) C4'-P energy: -98.217
bonds (distance) P-C4' energy: -116.414
flat angles C4'-P-C4' energy: -102.186
flat angles P-C4'-P energy: -68.240
tors. eta vs tors. theta energy: -80.285
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: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -940.113360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.113360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.113360 (E_RNA)
where:
Base-Base interactions energy: -506.949
where: short stacking energy: -232.263
Base-Backbone interact. energy: -1.022
local terms energy: -432.141620
where:
bonds (distance) C4'-P energy: -128.792
bonds (distance) P-C4' energy: -109.846
flat angles C4'-P-C4' energy: -112.129
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -28.776
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: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -480.182388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.182388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.182388 (E_RNA)
where:
Base-Base interactions energy: -149.126
where: short stacking energy: -146.071
Base-Backbone interact. energy: -0.027
local terms energy: -331.028831
where:
bonds (distance) C4'-P energy: -103.000
bonds (distance) P-C4' energy: -117.362
flat angles C4'-P-C4' energy: -73.880
flat angles P-C4'-P energy: -52.614
tors. eta vs tors. theta energy: 15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2409.683817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.683817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.683817 (E_RNA)
where:
Base-Base interactions energy: -1688.174
where: short stacking energy: -684.762
Base-Backbone interact. energy: -2.775
local terms energy: -718.734201
where:
bonds (distance) C4'-P energy: -119.631
bonds (distance) P-C4' energy: -129.555
flat angles C4'-P-C4' energy: -147.069
flat angles P-C4'-P energy: -110.282
tors. eta vs tors. theta energy: -212.197
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: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2245.706164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.706164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.706164 (E_RNA)
where:
Base-Base interactions energy: -1590.957
where: short stacking energy: -616.955
Base-Backbone interact. energy: -4.094
local terms energy: -650.655282
where:
bonds (distance) C4'-P energy: -120.803
bonds (distance) P-C4' energy: -132.523
flat angles C4'-P-C4' energy: -128.268
flat angles P-C4'-P energy: -93.020
tors. eta vs tors. theta energy: -176.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2237.812315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.812315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.812315 (E_RNA)
where:
Base-Base interactions energy: -1579.686
where: short stacking energy: -607.135
Base-Backbone interact. energy: -0.267
local terms energy: -657.858887
where:
bonds (distance) C4'-P energy: -120.715
bonds (distance) P-C4' energy: -123.289
flat angles C4'-P-C4' energy: -136.953
flat angles P-C4'-P energy: -96.752
tors. eta vs tors. theta energy: -180.149
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: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2159.567916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.567916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.567916 (E_RNA)
where:
Base-Base interactions energy: -1523.923
where: short stacking energy: -580.355
Base-Backbone interact. energy: -1.984
local terms energy: -633.660485
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -116.386
flat angles C4'-P-C4' energy: -139.562
flat angles P-C4'-P energy: -98.851
tors. eta vs tors. theta energy: -165.087
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: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1942.975300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.975300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.975300 (E_RNA)
where:
Base-Base interactions energy: -1336.050
where: short stacking energy: -530.728
Base-Backbone interact. energy: -4.882
local terms energy: -602.043125
where:
bonds (distance) C4'-P energy: -107.112
bonds (distance) P-C4' energy: -120.622
flat angles C4'-P-C4' energy: -125.371
flat angles P-C4'-P energy: -87.870
tors. eta vs tors. theta energy: -161.068
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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1795.949788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.949788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.949788 (E_RNA)
where:
Base-Base interactions energy: -1235.282
where: short stacking energy: -503.115
Base-Backbone interact. energy: 7.264
local terms energy: -567.931471
where:
bonds (distance) C4'-P energy: -103.710
bonds (distance) P-C4' energy: -103.260
flat angles C4'-P-C4' energy: -127.567
flat angles P-C4'-P energy: -76.670
tors. eta vs tors. theta energy: -156.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1535.402285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.402285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.402285 (E_RNA)
where:
Base-Base interactions energy: -1054.527
where: short stacking energy: -432.161
Base-Backbone interact. energy: -0.659
local terms energy: -480.216233
where:
bonds (distance) C4'-P energy: -98.296
bonds (distance) P-C4' energy: -102.992
flat angles C4'-P-C4' energy: -110.913
flat angles P-C4'-P energy: -62.608
tors. eta vs tors. theta energy: -105.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1194.480954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.480954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.480954 (E_RNA)
where:
Base-Base interactions energy: -743.520
where: short stacking energy: -322.052
Base-Backbone interact. energy: -3.593
local terms energy: -447.367418
where:
bonds (distance) C4'-P energy: -87.950
bonds (distance) P-C4' energy: -117.946
flat angles C4'-P-C4' energy: -111.307
flat angles P-C4'-P energy: -62.788
tors. eta vs tors. theta energy: -67.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -922.299618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.299618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.299618 (E_RNA)
where:
Base-Base interactions energy: -548.348
where: short stacking energy: -247.527
Base-Backbone interact. energy: 0.227
local terms energy: -374.178101
where:
bonds (distance) C4'-P energy: -80.791
bonds (distance) P-C4' energy: -101.821
flat angles C4'-P-C4' energy: -94.648
flat angles P-C4'-P energy: -63.669
tors. eta vs tors. theta energy: -33.250
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: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -471.068212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.068212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.068212 (E_RNA)
where:
Base-Base interactions energy: -144.133
where: short stacking energy: -116.614
Base-Backbone interact. energy: -2.133
local terms energy: -324.802229
where:
bonds (distance) C4'-P energy: -91.818
bonds (distance) P-C4' energy: -87.369
flat angles C4'-P-C4' energy: -98.180
flat angles P-C4'-P energy: -66.843
tors. eta vs tors. theta energy: 19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2384.887829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.887829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.887829 (E_RNA)
where:
Base-Base interactions energy: -1675.576
where: short stacking energy: -669.552
Base-Backbone interact. energy: 1.243
local terms energy: -710.554969
where:
bonds (distance) C4'-P energy: -122.466
bonds (distance) P-C4' energy: -123.315
flat angles C4'-P-C4' energy: -151.811
flat angles P-C4'-P energy: -111.651
tors. eta vs tors. theta energy: -201.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2276.060774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.060774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.060774 (E_RNA)
where:
Base-Base interactions energy: -1627.709
where: short stacking energy: -641.269
Base-Backbone interact. energy: -0.801
local terms energy: -647.550939
where:
bonds (distance) C4'-P energy: -112.492
bonds (distance) P-C4' energy: -121.628
flat angles C4'-P-C4' energy: -141.363
flat angles P-C4'-P energy: -82.858
tors. eta vs tors. theta energy: -189.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2207.126310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.126310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.126310 (E_RNA)
where:
Base-Base interactions energy: -1541.337
where: short stacking energy: -610.913
Base-Backbone interact. energy: -1.231
local terms energy: -664.557880
where:
bonds (distance) C4'-P energy: -115.793
bonds (distance) P-C4' energy: -125.118
flat angles C4'-P-C4' energy: -135.312
flat angles P-C4'-P energy: -96.767
tors. eta vs tors. theta energy: -191.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2109.862281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.862281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.862281 (E_RNA)
where:
Base-Base interactions energy: -1496.497
where: short stacking energy: -548.381
Base-Backbone interact. energy: 1.800
local terms energy: -615.165177
where:
bonds (distance) C4'-P energy: -107.914
bonds (distance) P-C4' energy: -114.042
flat angles C4'-P-C4' energy: -131.698
flat angles P-C4'-P energy: -97.488
tors. eta vs tors. theta energy: -164.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1957.142947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.142947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.142947 (E_RNA)
where:
Base-Base interactions energy: -1340.355
where: short stacking energy: -545.747
Base-Backbone interact. energy: -1.820
local terms energy: -614.968517
where:
bonds (distance) C4'-P energy: -121.116
bonds (distance) P-C4' energy: -113.678
flat angles C4'-P-C4' energy: -124.779
flat angles P-C4'-P energy: -91.738
tors. eta vs tors. theta energy: -163.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1782.054941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.054941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.054941 (E_RNA)
where:
Base-Base interactions energy: -1217.701
where: short stacking energy: -491.287
Base-Backbone interact. energy: -1.807
local terms energy: -562.547521
where:
bonds (distance) C4'-P energy: -103.039
bonds (distance) P-C4' energy: -119.280
flat angles C4'-P-C4' energy: -121.677
flat angles P-C4'-P energy: -71.509
tors. eta vs tors. theta energy: -147.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1468.065243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.065243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.065243 (E_RNA)
where:
Base-Base interactions energy: -955.009
where: short stacking energy: -409.740
Base-Backbone interact. energy: -0.941
local terms energy: -512.115567
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -118.394
flat angles C4'-P-C4' energy: -107.088
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -102.458
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: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1229.091703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.091703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.091703 (E_RNA)
where:
Base-Base interactions energy: -743.608
where: short stacking energy: -325.089
Base-Backbone interact. energy: -0.628
local terms energy: -484.855576
where:
bonds (distance) C4'-P energy: -100.315
bonds (distance) P-C4' energy: -115.077
flat angles C4'-P-C4' energy: -109.132
flat angles P-C4'-P energy: -91.555
tors. eta vs tors. theta energy: -68.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -916.384373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.384373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.384373 (E_RNA)
where:
Base-Base interactions energy: -527.060
where: short stacking energy: -222.741
Base-Backbone interact. energy: -3.666
local terms energy: -385.658682
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -114.118
flat angles C4'-P-C4' energy: -82.902
flat angles P-C4'-P energy: -62.731
tors. eta vs tors. theta energy: -25.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -487.661671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.661671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.661671 (E_RNA)
where:
Base-Base interactions energy: -140.186
where: short stacking energy: -134.013
Base-Backbone interact. energy: 1.841
local terms energy: -349.316135
where:
bonds (distance) C4'-P energy: -104.816
bonds (distance) P-C4' energy: -114.756
flat angles C4'-P-C4' energy: -82.934
flat angles P-C4'-P energy: -59.700
tors. eta vs tors. theta energy: 12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2392.293226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.293226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.293226 (E_RNA)
where:
Base-Base interactions energy: -1707.769
where: short stacking energy: -679.885
Base-Backbone interact. energy: 0.061
local terms energy: -684.585904
where:
bonds (distance) C4'-P energy: -105.849
bonds (distance) P-C4' energy: -129.713
flat angles C4'-P-C4' energy: -148.262
flat angles P-C4'-P energy: -94.433
tors. eta vs tors. theta energy: -206.329
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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2260.349728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.349728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.349728 (E_RNA)
where:
Base-Base interactions energy: -1576.534
where: short stacking energy: -624.088
Base-Backbone interact. energy: -2.098
local terms energy: -681.717487
where:
bonds (distance) C4'-P energy: -110.234
bonds (distance) P-C4' energy: -126.970
flat angles C4'-P-C4' energy: -147.895
flat angles P-C4'-P energy: -111.951
tors. eta vs tors. theta energy: -184.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2217.740393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.740393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.740393 (E_RNA)
where:
Base-Base interactions energy: -1586.785
where: short stacking energy: -598.949
Base-Backbone interact. energy: 1.185
local terms energy: -632.139623
where:
bonds (distance) C4'-P energy: -122.031
bonds (distance) P-C4' energy: -118.219
flat angles C4'-P-C4' energy: -121.454
flat angles P-C4'-P energy: -93.685
tors. eta vs tors. theta energy: -176.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2093.535881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.535881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.535881 (E_RNA)
where:
Base-Base interactions energy: -1490.210
where: short stacking energy: -575.643
Base-Backbone interact. energy: -3.829
local terms energy: -599.497326
where:
bonds (distance) C4'-P energy: -115.010
bonds (distance) P-C4' energy: -104.789
flat angles C4'-P-C4' energy: -121.456
flat angles P-C4'-P energy: -88.270
tors. eta vs tors. theta energy: -169.972
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: 339
Temperature: 1.100000
Total energy: -1944.963384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.963384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.963384 (E_RNA)
where:
Base-Base interactions energy: -1354.747
where: short stacking energy: -531.251
Base-Backbone interact. energy: -2.045
local terms energy: -588.172151
where:
bonds (distance) C4'-P energy: -103.158
bonds (distance) P-C4' energy: -119.015
flat angles C4'-P-C4' energy: -124.292
flat angles P-C4'-P energy: -78.896
tors. eta vs tors. theta energy: -162.811
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: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1747.689983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.689983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.689983 (E_RNA)
where:
Base-Base interactions energy: -1170.990
where: short stacking energy: -482.471
Base-Backbone interact. energy: 0.588
local terms energy: -577.287326
where:
bonds (distance) C4'-P energy: -100.125
bonds (distance) P-C4' energy: -123.544
flat angles C4'-P-C4' energy: -114.741
flat angles P-C4'-P energy: -90.562
tors. eta vs tors. theta energy: -148.316
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: 339
Temperature: 1.200000
Total energy: -1471.010328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.010328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.010328 (E_RNA)
where:
Base-Base interactions energy: -937.732
where: short stacking energy: -423.771
Base-Backbone interact. energy: 0.482
local terms energy: -533.760021
where:
bonds (distance) C4'-P energy: -109.395
bonds (distance) P-C4' energy: -113.994
flat angles C4'-P-C4' energy: -137.099
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -112.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1187.862122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.862122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.862122 (E_RNA)
where:
Base-Base interactions energy: -745.630
where: short stacking energy: -328.469
Base-Backbone interact. energy: 8.282
local terms energy: -450.513961
where:
bonds (distance) C4'-P energy: -106.440
bonds (distance) P-C4' energy: -98.134
flat angles C4'-P-C4' energy: -109.451
flat angles P-C4'-P energy: -75.249
tors. eta vs tors. theta energy: -61.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -980.915921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.915921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.915921 (E_RNA)
where:
Base-Base interactions energy: -552.205
where: short stacking energy: -236.028
Base-Backbone interact. energy: 1.644
local terms energy: -430.355168
where:
bonds (distance) C4'-P energy: -104.255
bonds (distance) P-C4' energy: -110.080
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -77.596
tors. eta vs tors. theta energy: -27.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -428.979234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.979234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.979234 (E_RNA)
where:
Base-Base interactions energy: -127.925
where: short stacking energy: -82.352
Base-Backbone interact. energy: 2.285
local terms energy: -303.339501
where:
bonds (distance) C4'-P energy: -93.084
bonds (distance) P-C4' energy: -112.537
flat angles C4'-P-C4' energy: -71.416
flat angles P-C4'-P energy: -55.171
tors. eta vs tors. theta energy: 28.869
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: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2383.865316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.865316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.865316 (E_RNA)
where:
Base-Base interactions energy: -1657.587
where: short stacking energy: -663.713
Base-Backbone interact. energy: -1.357
local terms energy: -724.921520
where:
bonds (distance) C4'-P energy: -125.725
bonds (distance) P-C4' energy: -138.227
flat angles C4'-P-C4' energy: -157.213
flat angles P-C4'-P energy: -101.575
tors. eta vs tors. theta energy: -202.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2253.212420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.212420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.212420 (E_RNA)
where:
Base-Base interactions energy: -1594.790
where: short stacking energy: -614.243
Base-Backbone interact. energy: -4.813
local terms energy: -653.610029
where:
bonds (distance) C4'-P energy: -114.913
bonds (distance) P-C4' energy: -114.666
flat angles C4'-P-C4' energy: -136.951
flat angles P-C4'-P energy: -106.967
tors. eta vs tors. theta energy: -180.113
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: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2182.845954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.845954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.845954 (E_RNA)
where:
Base-Base interactions energy: -1571.565
where: short stacking energy: -599.470
Base-Backbone interact. energy: -2.289
local terms energy: -608.992403
where:
bonds (distance) C4'-P energy: -111.254
bonds (distance) P-C4' energy: -110.364
flat angles C4'-P-C4' energy: -135.664
flat angles P-C4'-P energy: -82.522
tors. eta vs tors. theta energy: -169.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2099.521284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.521284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.521284 (E_RNA)
where:
Base-Base interactions energy: -1487.593
where: short stacking energy: -563.731
Base-Backbone interact. energy: -2.661
local terms energy: -609.266617
where:
bonds (distance) C4'-P energy: -101.141
bonds (distance) P-C4' energy: -119.966
flat angles C4'-P-C4' energy: -139.233
flat angles P-C4'-P energy: -87.253
tors. eta vs tors. theta energy: -161.674
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: 340
Temperature: 1.100000
Total energy: -1937.628030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.628030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.628030 (E_RNA)
where:
Base-Base interactions energy: -1346.452
where: short stacking energy: -540.040
Base-Backbone interact. energy: -3.117
local terms energy: -588.058870
where:
bonds (distance) C4'-P energy: -108.043
bonds (distance) P-C4' energy: -103.401
flat angles C4'-P-C4' energy: -132.004
flat angles P-C4'-P energy: -87.234
tors. eta vs tors. theta energy: -157.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1774.411809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.411809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.411809 (E_RNA)
where:
Base-Base interactions energy: -1238.279
where: short stacking energy: -485.983
Base-Backbone interact. energy: 0.090
local terms energy: -536.222425
where:
bonds (distance) C4'-P energy: -97.861
bonds (distance) P-C4' energy: -102.682
flat angles C4'-P-C4' energy: -119.142
flat angles P-C4'-P energy: -74.524
tors. eta vs tors. theta energy: -142.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1493.962688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.962688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.962688 (E_RNA)
where:
Base-Base interactions energy: -983.602
where: short stacking energy: -402.625
Base-Backbone interact. energy: -3.712
local terms energy: -506.649303
where:
bonds (distance) C4'-P energy: -111.085
bonds (distance) P-C4' energy: -95.830
flat angles C4'-P-C4' energy: -123.836
flat angles P-C4'-P energy: -69.113
tors. eta vs tors. theta energy: -106.786
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: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1276.801254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.801254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.801254 (E_RNA)
where:
Base-Base interactions energy: -794.451
where: short stacking energy: -343.863
Base-Backbone interact. energy: -0.213
local terms energy: -482.137606
where:
bonds (distance) C4'-P energy: -110.319
bonds (distance) P-C4' energy: -93.358
flat angles C4'-P-C4' energy: -111.229
flat angles P-C4'-P energy: -80.227
tors. eta vs tors. theta energy: -87.005
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: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -952.757204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.757204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.757204 (E_RNA)
where:
Base-Base interactions energy: -554.597
where: short stacking energy: -234.060
Base-Backbone interact. energy: -2.208
local terms energy: -395.952275
where:
bonds (distance) C4'-P energy: -100.195
bonds (distance) P-C4' energy: -106.739
flat angles C4'-P-C4' energy: -110.200
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -441.230307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.230307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.230307 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -112.171
Base-Backbone interact. energy: -1.028
local terms energy: -307.692269
where:
bonds (distance) C4'-P energy: -110.087
bonds (distance) P-C4' energy: -102.821
flat angles C4'-P-C4' energy: -74.058
flat angles P-C4'-P energy: -49.810
tors. eta vs tors. theta energy: 29.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2365.601506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.601506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.601506 (E_RNA)
where:
Base-Base interactions energy: -1635.177
where: short stacking energy: -665.653
Base-Backbone interact. energy: -1.860
local terms energy: -728.564896
where:
bonds (distance) C4'-P energy: -125.449
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -153.335
flat angles P-C4'-P energy: -104.498
tors. eta vs tors. theta energy: -203.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2252.416542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.416542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.416542 (E_RNA)
where:
Base-Base interactions energy: -1585.430
where: short stacking energy: -614.241
Base-Backbone interact. energy: -2.714
local terms energy: -664.272489
where:
bonds (distance) C4'-P energy: -119.661
bonds (distance) P-C4' energy: -109.410
flat angles C4'-P-C4' energy: -142.969
flat angles P-C4'-P energy: -107.944
tors. eta vs tors. theta energy: -184.288
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: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2168.518986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.518986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.518986 (E_RNA)
where:
Base-Base interactions energy: -1536.975
where: short stacking energy: -580.680
Base-Backbone interact. energy: -1.625
local terms energy: -629.919285
where:
bonds (distance) C4'-P energy: -114.152
bonds (distance) P-C4' energy: -122.469
flat angles C4'-P-C4' energy: -135.748
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -174.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2112.605151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.605151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.605151 (E_RNA)
where:
Base-Base interactions energy: -1496.610
where: short stacking energy: -603.878
Base-Backbone interact. energy: -5.002
local terms energy: -610.993407
where:
bonds (distance) C4'-P energy: -107.227
bonds (distance) P-C4' energy: -118.514
flat angles C4'-P-C4' energy: -141.550
flat angles P-C4'-P energy: -77.732
tors. eta vs tors. theta energy: -165.970
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: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1962.566927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.566927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.566927 (E_RNA)
where:
Base-Base interactions energy: -1353.606
where: short stacking energy: -540.565
Base-Backbone interact. energy: -1.900
local terms energy: -607.061456
where:
bonds (distance) C4'-P energy: -115.134
bonds (distance) P-C4' energy: -122.285
flat angles C4'-P-C4' energy: -126.069
flat angles P-C4'-P energy: -79.732
tors. eta vs tors. theta energy: -163.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1848.718149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.718149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.718149 (E_RNA)
where:
Base-Base interactions energy: -1272.227
where: short stacking energy: -498.085
Base-Backbone interact. energy: -2.621
local terms energy: -573.870141
where:
bonds (distance) C4'-P energy: -106.788
bonds (distance) P-C4' energy: -118.578
flat angles C4'-P-C4' energy: -123.314
flat angles P-C4'-P energy: -69.076
tors. eta vs tors. theta energy: -156.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1564.745910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.745910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.745910 (E_RNA)
where:
Base-Base interactions energy: -1053.710
where: short stacking energy: -405.550
Base-Backbone interact. energy: -0.704
local terms energy: -510.332583
where:
bonds (distance) C4'-P energy: -106.207
bonds (distance) P-C4' energy: -99.275
flat angles C4'-P-C4' energy: -118.302
flat angles P-C4'-P energy: -69.949
tors. eta vs tors. theta energy: -116.600
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: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1251.770636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.770636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.770636 (E_RNA)
where:
Base-Base interactions energy: -724.265
where: short stacking energy: -350.418
Base-Backbone interact. energy: -0.424
local terms energy: -527.081361
where:
bonds (distance) C4'-P energy: -109.095
bonds (distance) P-C4' energy: -125.369
flat angles C4'-P-C4' energy: -120.017
flat angles P-C4'-P energy: -89.042
tors. eta vs tors. theta energy: -83.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -930.583868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.583868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.583868 (E_RNA)
where:
Base-Base interactions energy: -496.288
where: short stacking energy: -237.851
Base-Backbone interact. energy: 6.481
local terms energy: -440.776505
where:
bonds (distance) C4'-P energy: -111.257
bonds (distance) P-C4' energy: -140.295
flat angles C4'-P-C4' energy: -99.361
flat angles P-C4'-P energy: -74.992
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -456.927268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.927268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.927268 (E_RNA)
where:
Base-Base interactions energy: -139.268
where: short stacking energy: -111.802
Base-Backbone interact. energy: 1.838
local terms energy: -319.497406
where:
bonds (distance) C4'-P energy: -97.252
bonds (distance) P-C4' energy: -100.285
flat angles C4'-P-C4' energy: -92.821
flat angles P-C4'-P energy: -46.851
tors. eta vs tors. theta energy: 17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2380.248554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.248554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.248554 (E_RNA)
where:
Base-Base interactions energy: -1689.503
where: short stacking energy: -676.123
Base-Backbone interact. energy: -2.339
local terms energy: -688.406136
where:
bonds (distance) C4'-P energy: -121.597
bonds (distance) P-C4' energy: -119.194
flat angles C4'-P-C4' energy: -152.353
flat angles P-C4'-P energy: -87.840
tors. eta vs tors. theta energy: -207.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2267.838959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.838959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.838959 (E_RNA)
where:
Base-Base interactions energy: -1610.265
where: short stacking energy: -614.227
Base-Backbone interact. energy: -2.466
local terms energy: -655.108431
where:
bonds (distance) C4'-P energy: -120.600
bonds (distance) P-C4' energy: -122.886
flat angles C4'-P-C4' energy: -131.536
flat angles P-C4'-P energy: -87.626
tors. eta vs tors. theta energy: -192.461
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: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2191.783711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.783711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.783711 (E_RNA)
where:
Base-Base interactions energy: -1580.190
where: short stacking energy: -625.913
Base-Backbone interact. energy: 8.002
local terms energy: -619.596281
where:
bonds (distance) C4'-P energy: -117.286
bonds (distance) P-C4' energy: -122.716
flat angles C4'-P-C4' energy: -118.839
flat angles P-C4'-P energy: -84.741
tors. eta vs tors. theta energy: -176.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2049.266653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.266653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.266653 (E_RNA)
where:
Base-Base interactions energy: -1463.919
where: short stacking energy: -549.520
Base-Backbone interact. energy: -1.182
local terms energy: -584.165536
where:
bonds (distance) C4'-P energy: -113.588
bonds (distance) P-C4' energy: -120.361
flat angles C4'-P-C4' energy: -117.863
flat angles P-C4'-P energy: -77.237
tors. eta vs tors. theta energy: -155.116
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: 342
Temperature: 1.100000
Total energy: -2037.677840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.677840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.677840 (E_RNA)
where:
Base-Base interactions energy: -1417.589
where: short stacking energy: -568.326
Base-Backbone interact. energy: -4.081
local terms energy: -616.008413
where:
bonds (distance) C4'-P energy: -110.199
bonds (distance) P-C4' energy: -113.628
flat angles C4'-P-C4' energy: -130.860
flat angles P-C4'-P energy: -89.611
tors. eta vs tors. theta energy: -171.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1849.856244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.856244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.856244 (E_RNA)
where:
Base-Base interactions energy: -1287.619
where: short stacking energy: -503.042
Base-Backbone interact. energy: -0.274
local terms energy: -561.963701
where:
bonds (distance) C4'-P energy: -89.191
bonds (distance) P-C4' energy: -104.218
flat angles C4'-P-C4' energy: -130.223
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -148.471
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: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1588.515615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.515615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.515615 (E_RNA)
where:
Base-Base interactions energy: -1064.540
where: short stacking energy: -436.022
Base-Backbone interact. energy: 8.124
local terms energy: -532.099307
where:
bonds (distance) C4'-P energy: -114.255
bonds (distance) P-C4' energy: -112.329
flat angles C4'-P-C4' energy: -111.163
flat angles P-C4'-P energy: -80.446
tors. eta vs tors. theta energy: -113.906
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: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1206.365142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.365142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.365142 (E_RNA)
where:
Base-Base interactions energy: -723.300
where: short stacking energy: -312.938
Base-Backbone interact. energy: -2.485
local terms energy: -480.579931
where:
bonds (distance) C4'-P energy: -99.445
bonds (distance) P-C4' energy: -122.809
flat angles C4'-P-C4' energy: -105.893
flat angles P-C4'-P energy: -75.627
tors. eta vs tors. theta energy: -76.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -953.406387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.406387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.406387 (E_RNA)
where:
Base-Base interactions energy: -574.976
where: short stacking energy: -279.119
Base-Backbone interact. energy: -2.464
local terms energy: -375.966543
where:
bonds (distance) C4'-P energy: -97.143
bonds (distance) P-C4' energy: -88.276
flat angles C4'-P-C4' energy: -89.238
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -25.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -440.938026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.938026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.938026 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -101.480
Base-Backbone interact. energy: -0.470
local terms energy: -312.793038
where:
bonds (distance) C4'-P energy: -91.760
bonds (distance) P-C4' energy: -112.466
flat angles C4'-P-C4' energy: -77.977
flat angles P-C4'-P energy: -55.539
tors. eta vs tors. theta energy: 24.950
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: 343
Temperature: 0.900000
Total energy: -2376.846638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.846638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.846638 (E_RNA)
where:
Base-Base interactions energy: -1645.769
where: short stacking energy: -670.935
Base-Backbone interact. energy: -0.672
local terms energy: -730.405018
where:
bonds (distance) C4'-P energy: -129.546
bonds (distance) P-C4' energy: -132.598
flat angles C4'-P-C4' energy: -158.994
flat angles P-C4'-P energy: -106.558
tors. eta vs tors. theta energy: -202.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2273.158130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.158130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.158130 (E_RNA)
where:
Base-Base interactions energy: -1607.113
where: short stacking energy: -628.410
Base-Backbone interact. energy: -0.834
local terms energy: -665.210927
where:
bonds (distance) C4'-P energy: -111.344
bonds (distance) P-C4' energy: -130.808
flat angles C4'-P-C4' energy: -134.959
flat angles P-C4'-P energy: -95.719
tors. eta vs tors. theta energy: -192.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2203.039687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.039687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.039687 (E_RNA)
where:
Base-Base interactions energy: -1585.911
where: short stacking energy: -617.481
Base-Backbone interact. energy: -0.097
local terms energy: -617.032014
where:
bonds (distance) C4'-P energy: -113.614
bonds (distance) P-C4' energy: -117.033
flat angles C4'-P-C4' energy: -135.631
flat angles P-C4'-P energy: -81.536
tors. eta vs tors. theta energy: -169.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2056.970808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.970808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.970808 (E_RNA)
where:
Base-Base interactions energy: -1456.649
where: short stacking energy: -559.483
Base-Backbone interact. energy: -2.597
local terms energy: -597.724751
where:
bonds (distance) C4'-P energy: -103.568
bonds (distance) P-C4' energy: -119.524
flat angles C4'-P-C4' energy: -127.838
flat angles P-C4'-P energy: -85.989
tors. eta vs tors. theta energy: -160.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2041.102371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.102371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.102371 (E_RNA)
where:
Base-Base interactions energy: -1411.469
where: short stacking energy: -557.872
Base-Backbone interact. energy: 1.210
local terms energy: -630.843555
where:
bonds (distance) C4'-P energy: -126.945
bonds (distance) P-C4' energy: -109.005
flat angles C4'-P-C4' energy: -140.651
flat angles P-C4'-P energy: -91.693
tors. eta vs tors. theta energy: -162.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1834.189525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.189525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.189525 (E_RNA)
where:
Base-Base interactions energy: -1252.261
where: short stacking energy: -503.664
Base-Backbone interact. energy: -2.039
local terms energy: -579.889309
where:
bonds (distance) C4'-P energy: -91.218
bonds (distance) P-C4' energy: -114.159
flat angles C4'-P-C4' energy: -129.187
flat angles P-C4'-P energy: -88.504
tors. eta vs tors. theta energy: -156.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1588.912401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.912401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.912401 (E_RNA)
where:
Base-Base interactions energy: -1086.367
where: short stacking energy: -458.922
Base-Backbone interact. energy: -2.420
local terms energy: -500.125095
where:
bonds (distance) C4'-P energy: -87.242
bonds (distance) P-C4' energy: -97.702
flat angles C4'-P-C4' energy: -115.499
flat angles P-C4'-P energy: -83.905
tors. eta vs tors. theta energy: -115.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1195.829065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.829065 (E_RNA)
where:
Base-Base interactions energy: -731.068
where: short stacking energy: -327.754
Base-Backbone interact. energy: 4.950
local terms energy: -469.711364
where:
bonds (distance) C4'-P energy: -101.843
bonds (distance) P-C4' energy: -121.718
flat angles C4'-P-C4' energy: -115.097
flat angles P-C4'-P energy: -63.378
tors. eta vs tors. theta energy: -67.676
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: 343
Temperature: 1.300000
Total energy: -988.314198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.314198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.314198 (E_RNA)
where:
Base-Base interactions energy: -583.388
where: short stacking energy: -256.084
Base-Backbone interact. energy: 1.102
local terms energy: -406.028480
where:
bonds (distance) C4'-P energy: -80.544
bonds (distance) P-C4' energy: -103.415
flat angles C4'-P-C4' energy: -110.784
flat angles P-C4'-P energy: -64.978
tors. eta vs tors. theta energy: -46.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -431.365884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.365884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.365884 (E_RNA)
where:
Base-Base interactions energy: -144.986
where: short stacking energy: -112.477
Base-Backbone interact. energy: 1.760
local terms energy: -288.139882
where:
bonds (distance) C4'-P energy: -92.724
bonds (distance) P-C4' energy: -93.751
flat angles C4'-P-C4' energy: -84.375
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: 20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2366.351663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.351663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.351663 (E_RNA)
where:
Base-Base interactions energy: -1653.891
where: short stacking energy: -670.687
Base-Backbone interact. energy: 0.978
local terms energy: -713.438110
where:
bonds (distance) C4'-P energy: -129.964
bonds (distance) P-C4' energy: -119.655
flat angles C4'-P-C4' energy: -147.648
flat angles P-C4'-P energy: -103.902
tors. eta vs tors. theta energy: -212.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2305.851251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.851251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.851251 (E_RNA)
where:
Base-Base interactions energy: -1664.135
where: short stacking energy: -653.118
Base-Backbone interact. energy: -1.193
local terms energy: -640.523512
where:
bonds (distance) C4'-P energy: -108.158
bonds (distance) P-C4' energy: -113.594
flat angles C4'-P-C4' energy: -138.612
flat angles P-C4'-P energy: -88.153
tors. eta vs tors. theta energy: -192.006
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: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2223.867694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.867694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.867694 (E_RNA)
where:
Base-Base interactions energy: -1600.858
where: short stacking energy: -617.375
Base-Backbone interact. energy: 0.195
local terms energy: -623.204879
where:
bonds (distance) C4'-P energy: -115.948
bonds (distance) P-C4' energy: -106.758
flat angles C4'-P-C4' energy: -137.064
flat angles P-C4'-P energy: -92.600
tors. eta vs tors. theta energy: -170.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2086.132607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.132607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.132607 (E_RNA)
where:
Base-Base interactions energy: -1480.495
where: short stacking energy: -572.739
Base-Backbone interact. energy: -4.502
local terms energy: -601.135591
where:
bonds (distance) C4'-P energy: -100.025
bonds (distance) P-C4' energy: -102.684
flat angles C4'-P-C4' energy: -130.440
flat angles P-C4'-P energy: -97.907
tors. eta vs tors. theta energy: -170.080
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: 344
Temperature: 1.100000
Total energy: -2001.679206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.679206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.679206 (E_RNA)
where:
Base-Base interactions energy: -1410.199
where: short stacking energy: -557.200
Base-Backbone interact. energy: -2.677
local terms energy: -588.803980
where:
bonds (distance) C4'-P energy: -110.600
bonds (distance) P-C4' energy: -103.177
flat angles C4'-P-C4' energy: -128.042
flat angles P-C4'-P energy: -82.080
tors. eta vs tors. theta energy: -164.906
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: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1873.834546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.834546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.834546 (E_RNA)
where:
Base-Base interactions energy: -1326.286
where: short stacking energy: -506.763
Base-Backbone interact. energy: 5.541
local terms energy: -553.089406
where:
bonds (distance) C4'-P energy: -103.709
bonds (distance) P-C4' energy: -104.786
flat angles C4'-P-C4' energy: -110.514
flat angles P-C4'-P energy: -84.410
tors. eta vs tors. theta energy: -149.670
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: 344
Temperature: 1.200000
Total energy: -1544.818623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.818623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.818623 (E_RNA)
where:
Base-Base interactions energy: -1012.750
where: short stacking energy: -421.613
Base-Backbone interact. energy: -3.302
local terms energy: -528.767086
where:
bonds (distance) C4'-P energy: -96.620
bonds (distance) P-C4' energy: -118.241
flat angles C4'-P-C4' energy: -127.023
flat angles P-C4'-P energy: -73.686
tors. eta vs tors. theta energy: -113.198
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: 344
Temperature: 1.250000
Total energy: -1185.270619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.270619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.270619 (E_RNA)
where:
Base-Base interactions energy: -727.091
where: short stacking energy: -314.316
Base-Backbone interact. energy: -1.002
local terms energy: -457.176804
where:
bonds (distance) C4'-P energy: -94.466
bonds (distance) P-C4' energy: -121.086
flat angles C4'-P-C4' energy: -100.155
flat angles P-C4'-P energy: -74.431
tors. eta vs tors. theta energy: -67.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1043.628300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.628300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.628300 (E_RNA)
where:
Base-Base interactions energy: -626.062
where: short stacking energy: -295.406
Base-Backbone interact. energy: 4.734
local terms energy: -422.300344
where:
bonds (distance) C4'-P energy: -117.296
bonds (distance) P-C4' energy: -100.272
flat angles C4'-P-C4' energy: -100.936
flat angles P-C4'-P energy: -59.451
tors. eta vs tors. theta energy: -44.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -462.017716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.017716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.017716 (E_RNA)
where:
Base-Base interactions energy: -135.455
where: short stacking energy: -120.902
Base-Backbone interact. energy: -1.369
local terms energy: -325.192937
where:
bonds (distance) C4'-P energy: -95.387
bonds (distance) P-C4' energy: -108.985
flat angles C4'-P-C4' energy: -103.079
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: 4.330
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2396.345517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.345517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.345517 (E_RNA)
where:
Base-Base interactions energy: -1687.820
where: short stacking energy: -680.118
Base-Backbone interact. energy: 4.104
local terms energy: -712.629756
where:
bonds (distance) C4'-P energy: -133.653
bonds (distance) P-C4' energy: -111.110
flat angles C4'-P-C4' energy: -156.378
flat angles P-C4'-P energy: -101.898
tors. eta vs tors. theta energy: -209.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2256.208660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.208660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.208660 (E_RNA)
where:
Base-Base interactions energy: -1585.571
where: short stacking energy: -634.762
Base-Backbone interact. energy: -3.722
local terms energy: -666.916204
where:
bonds (distance) C4'-P energy: -108.111
bonds (distance) P-C4' energy: -123.523
flat angles C4'-P-C4' energy: -141.266
flat angles P-C4'-P energy: -101.507
tors. eta vs tors. theta energy: -192.508
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: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2181.266780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.266780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.266780 (E_RNA)
where:
Base-Base interactions energy: -1554.217
where: short stacking energy: -586.575
Base-Backbone interact. energy: 0.274
local terms energy: -627.324393
where:
bonds (distance) C4'-P energy: -108.957
bonds (distance) P-C4' energy: -125.451
flat angles C4'-P-C4' energy: -121.879
flat angles P-C4'-P energy: -98.613
tors. eta vs tors. theta energy: -172.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2118.430649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.430649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.430649 (E_RNA)
where:
Base-Base interactions energy: -1510.757
where: short stacking energy: -582.609
Base-Backbone interact. energy: -1.419
local terms energy: -606.255261
where:
bonds (distance) C4'-P energy: -109.926
bonds (distance) P-C4' energy: -115.044
flat angles C4'-P-C4' energy: -137.139
flat angles P-C4'-P energy: -80.473
tors. eta vs tors. theta energy: -163.673
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1984.197916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.197916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.197916 (E_RNA)
where:
Base-Base interactions energy: -1391.882
where: short stacking energy: -532.337
Base-Backbone interact. energy: -4.513
local terms energy: -587.802057
where:
bonds (distance) C4'-P energy: -108.805
bonds (distance) P-C4' energy: -108.631
flat angles C4'-P-C4' energy: -121.942
flat angles P-C4'-P energy: -92.421
tors. eta vs tors. theta energy: -156.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1812.556870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.556870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.556870 (E_RNA)
where:
Base-Base interactions energy: -1237.482
where: short stacking energy: -501.078
Base-Backbone interact. energy: -1.018
local terms energy: -574.056851
where:
bonds (distance) C4'-P energy: -105.659
bonds (distance) P-C4' energy: -108.250
flat angles C4'-P-C4' energy: -114.739
flat angles P-C4'-P energy: -88.909
tors. eta vs tors. theta energy: -156.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1551.597066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.597066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.597066 (E_RNA)
where:
Base-Base interactions energy: -1029.874
where: short stacking energy: -410.352
Base-Backbone interact. energy: -0.047
local terms energy: -521.675808
where:
bonds (distance) C4'-P energy: -113.473
bonds (distance) P-C4' energy: -97.760
flat angles C4'-P-C4' energy: -122.314
flat angles P-C4'-P energy: -75.317
tors. eta vs tors. theta energy: -112.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1145.410323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.410323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.410323 (E_RNA)
where:
Base-Base interactions energy: -683.393
where: short stacking energy: -309.647
Base-Backbone interact. energy: -2.118
local terms energy: -459.899565
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -116.202
flat angles C4'-P-C4' energy: -108.285
flat angles P-C4'-P energy: -65.318
tors. eta vs tors. theta energy: -60.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -958.193017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.193017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.193017 (E_RNA)
where:
Base-Base interactions energy: -564.461
where: short stacking energy: -247.767
Base-Backbone interact. energy: 2.710
local terms energy: -396.442357
where:
bonds (distance) C4'-P energy: -97.000
bonds (distance) P-C4' energy: -110.796
flat angles C4'-P-C4' energy: -96.569
flat angles P-C4'-P energy: -55.858
tors. eta vs tors. theta energy: -36.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -462.992571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.992571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.992571 (E_RNA)
where:
Base-Base interactions energy: -152.800
where: short stacking energy: -141.848
Base-Backbone interact. energy: -1.076
local terms energy: -309.116081
where:
bonds (distance) C4'-P energy: -95.377
bonds (distance) P-C4' energy: -101.670
flat angles C4'-P-C4' energy: -78.168
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: 5.480
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: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2381.935001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.935001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.935001 (E_RNA)
where:
Base-Base interactions energy: -1679.362
where: short stacking energy: -647.623
Base-Backbone interact. energy: -1.282
local terms energy: -701.290626
where:
bonds (distance) C4'-P energy: -136.271
bonds (distance) P-C4' energy: -138.359
flat angles C4'-P-C4' energy: -145.268
flat angles P-C4'-P energy: -93.600
tors. eta vs tors. theta energy: -187.793
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: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2265.203198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.203198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.203198 (E_RNA)
where:
Base-Base interactions energy: -1588.088
where: short stacking energy: -616.922
Base-Backbone interact. energy: -4.791
local terms energy: -672.324479
where:
bonds (distance) C4'-P energy: -125.642
bonds (distance) P-C4' energy: -127.434
flat angles C4'-P-C4' energy: -134.945
flat angles P-C4'-P energy: -95.381
tors. eta vs tors. theta energy: -188.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2199.919529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.919529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.919529 (E_RNA)
where:
Base-Base interactions energy: -1568.598
where: short stacking energy: -622.402
Base-Backbone interact. energy: 1.511
local terms energy: -632.833171
where:
bonds (distance) C4'-P energy: -118.628
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -137.047
flat angles P-C4'-P energy: -89.145
tors. eta vs tors. theta energy: -179.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2164.691188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.691188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.691188 (E_RNA)
where:
Base-Base interactions energy: -1512.455
where: short stacking energy: -569.099
Base-Backbone interact. energy: -2.413
local terms energy: -649.822525
where:
bonds (distance) C4'-P energy: -114.747
bonds (distance) P-C4' energy: -126.943
flat angles C4'-P-C4' energy: -131.757
flat angles P-C4'-P energy: -102.210
tors. eta vs tors. theta energy: -174.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1944.043346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.043346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.043346 (E_RNA)
where:
Base-Base interactions energy: -1349.285
where: short stacking energy: -511.439
Base-Backbone interact. energy: -4.094
local terms energy: -590.664618
where:
bonds (distance) C4'-P energy: -120.824
bonds (distance) P-C4' energy: -120.613
flat angles C4'-P-C4' energy: -116.693
flat angles P-C4'-P energy: -83.666
tors. eta vs tors. theta energy: -148.869
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: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1786.455405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.455405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.455405 (E_RNA)
where:
Base-Base interactions energy: -1237.333
where: short stacking energy: -494.203
Base-Backbone interact. energy: -0.780
local terms energy: -548.342741
where:
bonds (distance) C4'-P energy: -91.525
bonds (distance) P-C4' energy: -117.356
flat angles C4'-P-C4' energy: -112.523
flat angles P-C4'-P energy: -83.442
tors. eta vs tors. theta energy: -143.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1540.523828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.523828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.523828 (E_RNA)
where:
Base-Base interactions energy: -1034.104
where: short stacking energy: -448.635
Base-Backbone interact. energy: -0.185
local terms energy: -506.234500
where:
bonds (distance) C4'-P energy: -99.414
bonds (distance) P-C4' energy: -103.980
flat angles C4'-P-C4' energy: -118.051
flat angles P-C4'-P energy: -68.473
tors. eta vs tors. theta energy: -116.316
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: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1145.679609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.679609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.679609 (E_RNA)
where:
Base-Base interactions energy: -683.577
where: short stacking energy: -316.840
Base-Backbone interact. energy: 0.863
local terms energy: -462.965785
where:
bonds (distance) C4'-P energy: -108.202
bonds (distance) P-C4' energy: -121.745
flat angles C4'-P-C4' energy: -92.451
flat angles P-C4'-P energy: -62.132
tors. eta vs tors. theta energy: -78.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -958.476322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.476322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.476322 (E_RNA)
where:
Base-Base interactions energy: -576.133
where: short stacking energy: -263.255
Base-Backbone interact. energy: -0.851
local terms energy: -381.491682
where:
bonds (distance) C4'-P energy: -91.267
bonds (distance) P-C4' energy: -110.592
flat angles C4'-P-C4' energy: -86.342
flat angles P-C4'-P energy: -53.696
tors. eta vs tors. theta energy: -39.595
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: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -444.456352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.456352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.456352 (E_RNA)
where:
Base-Base interactions energy: -146.815
where: short stacking energy: -121.604
Base-Backbone interact. energy: -1.603
local terms energy: -296.038530
where:
bonds (distance) C4'-P energy: -98.501
bonds (distance) P-C4' energy: -88.483
flat angles C4'-P-C4' energy: -97.016
flat angles P-C4'-P energy: -50.161
tors. eta vs tors. theta energy: 38.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2384.114597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.114597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.114597 (E_RNA)
where:
Base-Base interactions energy: -1661.852
where: short stacking energy: -668.404
Base-Backbone interact. energy: -2.817
local terms energy: -719.446035
where:
bonds (distance) C4'-P energy: -128.022
bonds (distance) P-C4' energy: -130.620
flat angles C4'-P-C4' energy: -153.026
flat angles P-C4'-P energy: -102.552
tors. eta vs tors. theta energy: -205.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2278.806678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.806678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.806678 (E_RNA)
where:
Base-Base interactions energy: -1613.647
where: short stacking energy: -616.853
Base-Backbone interact. energy: -1.042
local terms energy: -664.118248
where:
bonds (distance) C4'-P energy: -118.128
bonds (distance) P-C4' energy: -129.971
flat angles C4'-P-C4' energy: -129.377
flat angles P-C4'-P energy: -93.933
tors. eta vs tors. theta energy: -192.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2212.271675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.271675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.271675 (E_RNA)
where:
Base-Base interactions energy: -1591.965
where: short stacking energy: -616.123
Base-Backbone interact. energy: -3.634
local terms energy: -616.672021
where:
bonds (distance) C4'-P energy: -112.403
bonds (distance) P-C4' energy: -123.956
flat angles C4'-P-C4' energy: -123.297
flat angles P-C4'-P energy: -77.947
tors. eta vs tors. theta energy: -179.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2168.265515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.265515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.265515 (E_RNA)
where:
Base-Base interactions energy: -1537.687
where: short stacking energy: -597.606
Base-Backbone interact. energy: 0.679
local terms energy: -631.257353
where:
bonds (distance) C4'-P energy: -101.099
bonds (distance) P-C4' energy: -126.859
flat angles C4'-P-C4' energy: -135.100
flat angles P-C4'-P energy: -92.478
tors. eta vs tors. theta energy: -175.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1985.995348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.995348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.995348 (E_RNA)
where:
Base-Base interactions energy: -1360.793
where: short stacking energy: -565.595
Base-Backbone interact. energy: -5.651
local terms energy: -619.551169
where:
bonds (distance) C4'-P energy: -117.684
bonds (distance) P-C4' energy: -106.523
flat angles C4'-P-C4' energy: -140.328
flat angles P-C4'-P energy: -96.287
tors. eta vs tors. theta energy: -158.729
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: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1780.778504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.778504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.778504 (E_RNA)
where:
Base-Base interactions energy: -1185.687
where: short stacking energy: -495.423
Base-Backbone interact. energy: -0.872
local terms energy: -594.219002
where:
bonds (distance) C4'-P energy: -111.089
bonds (distance) P-C4' energy: -117.412
flat angles C4'-P-C4' energy: -133.700
flat angles P-C4'-P energy: -85.058
tors. eta vs tors. theta energy: -146.960
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: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1589.288717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.288717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.288717 (E_RNA)
where:
Base-Base interactions energy: -1031.310
where: short stacking energy: -438.850
Base-Backbone interact. energy: -3.524
local terms energy: -554.454296
where:
bonds (distance) C4'-P energy: -103.205
bonds (distance) P-C4' energy: -116.285
flat angles C4'-P-C4' energy: -126.282
flat angles P-C4'-P energy: -82.124
tors. eta vs tors. theta energy: -126.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1132.404972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.404972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.404972 (E_RNA)
where:
Base-Base interactions energy: -679.562
where: short stacking energy: -319.085
Base-Backbone interact. energy: 1.668
local terms energy: -454.511381
where:
bonds (distance) C4'-P energy: -108.808
bonds (distance) P-C4' energy: -105.729
flat angles C4'-P-C4' energy: -107.431
flat angles P-C4'-P energy: -65.979
tors. eta vs tors. theta energy: -66.564
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: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -968.694344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.694344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.694344 (E_RNA)
where:
Base-Base interactions energy: -571.085
where: short stacking energy: -268.189
Base-Backbone interact. energy: -1.572
local terms energy: -396.037636
where:
bonds (distance) C4'-P energy: -84.473
bonds (distance) P-C4' energy: -113.425
flat angles C4'-P-C4' energy: -109.573
flat angles P-C4'-P energy: -56.923
tors. eta vs tors. theta energy: -31.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -449.183779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.183779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.183779 (E_RNA)
where:
Base-Base interactions energy: -134.825
where: short stacking energy: -101.396
Base-Backbone interact. energy: 0.364
local terms energy: -314.722333
where:
bonds (distance) C4'-P energy: -108.496
bonds (distance) P-C4' energy: -107.068
flat angles C4'-P-C4' energy: -66.950
flat angles P-C4'-P energy: -49.707
tors. eta vs tors. theta energy: 17.498
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: 348
Temperature: 0.900000
Total energy: -2387.458569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.458569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.458569 (E_RNA)
where:
Base-Base interactions energy: -1671.415
where: short stacking energy: -668.684
Base-Backbone interact. energy: -0.631
local terms energy: -715.412474
where:
bonds (distance) C4'-P energy: -113.573
bonds (distance) P-C4' energy: -134.462
flat angles C4'-P-C4' energy: -147.749
flat angles P-C4'-P energy: -117.476
tors. eta vs tors. theta energy: -202.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2290.403042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.403042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.403042 (E_RNA)
where:
Base-Base interactions energy: -1600.860
where: short stacking energy: -628.480
Base-Backbone interact. energy: -1.632
local terms energy: -687.910529
where:
bonds (distance) C4'-P energy: -124.111
bonds (distance) P-C4' energy: -128.032
flat angles C4'-P-C4' energy: -143.257
flat angles P-C4'-P energy: -101.823
tors. eta vs tors. theta energy: -190.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2213.015615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.015615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.015615 (E_RNA)
where:
Base-Base interactions energy: -1584.993
where: short stacking energy: -621.107
Base-Backbone interact. energy: 4.725
local terms energy: -632.748248
where:
bonds (distance) C4'-P energy: -114.400
bonds (distance) P-C4' energy: -115.798
flat angles C4'-P-C4' energy: -137.337
flat angles P-C4'-P energy: -93.650
tors. eta vs tors. theta energy: -171.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2133.906641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.906641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.906641 (E_RNA)
where:
Base-Base interactions energy: -1530.252
where: short stacking energy: -577.029
Base-Backbone interact. energy: 3.262
local terms energy: -606.916627
where:
bonds (distance) C4'-P energy: -105.061
bonds (distance) P-C4' energy: -97.829
flat angles C4'-P-C4' energy: -145.996
flat angles P-C4'-P energy: -81.205
tors. eta vs tors. theta energy: -176.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1979.269078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.269078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.269078 (E_RNA)
where:
Base-Base interactions energy: -1380.345
where: short stacking energy: -544.506
Base-Backbone interact. energy: -2.085
local terms energy: -596.838508
where:
bonds (distance) C4'-P energy: -118.030
bonds (distance) P-C4' energy: -104.657
flat angles C4'-P-C4' energy: -128.632
flat angles P-C4'-P energy: -79.115
tors. eta vs tors. theta energy: -166.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1840.540112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.540112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.540112 (E_RNA)
where:
Base-Base interactions energy: -1271.743
where: short stacking energy: -513.305
Base-Backbone interact. energy: -2.414
local terms energy: -566.382466
where:
bonds (distance) C4'-P energy: -122.623
bonds (distance) P-C4' energy: -106.077
flat angles C4'-P-C4' energy: -116.648
flat angles P-C4'-P energy: -69.207
tors. eta vs tors. theta energy: -151.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1586.459880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.459880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.459880 (E_RNA)
where:
Base-Base interactions energy: -1088.638
where: short stacking energy: -435.720
Base-Backbone interact. energy: 2.054
local terms energy: -499.876458
where:
bonds (distance) C4'-P energy: -103.548
bonds (distance) P-C4' energy: -84.921
flat angles C4'-P-C4' energy: -119.882
flat angles P-C4'-P energy: -64.116
tors. eta vs tors. theta energy: -127.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1157.233354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.233354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.233354 (E_RNA)
where:
Base-Base interactions energy: -727.369
where: short stacking energy: -327.760
Base-Backbone interact. energy: -2.404
local terms energy: -427.460513
where:
bonds (distance) C4'-P energy: -86.284
bonds (distance) P-C4' energy: -106.512
flat angles C4'-P-C4' energy: -113.377
flat angles P-C4'-P energy: -71.008
tors. eta vs tors. theta energy: -50.280
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: 348
Temperature: 1.300000
Total energy: -997.471783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.471783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.471783 (E_RNA)
where:
Base-Base interactions energy: -582.901
where: short stacking energy: -271.668
Base-Backbone interact. energy: -2.202
local terms energy: -412.368307
where:
bonds (distance) C4'-P energy: -94.521
bonds (distance) P-C4' energy: -94.615
flat angles C4'-P-C4' energy: -106.941
flat angles P-C4'-P energy: -73.820
tors. eta vs tors. theta energy: -42.471
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: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -424.857738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.857738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.857738 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -121.810
Base-Backbone interact. energy: 2.687
local terms energy: -298.200515
where:
bonds (distance) C4'-P energy: -96.929
bonds (distance) P-C4' energy: -111.897
flat angles C4'-P-C4' energy: -78.916
flat angles P-C4'-P energy: -47.316
tors. eta vs tors. theta energy: 36.857
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: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2385.534595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.534595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.534595 (E_RNA)
where:
Base-Base interactions energy: -1678.108
where: short stacking energy: -663.767
Base-Backbone interact. energy: -1.671
local terms energy: -705.755893
where:
bonds (distance) C4'-P energy: -131.389
bonds (distance) P-C4' energy: -124.741
flat angles C4'-P-C4' energy: -140.068
flat angles P-C4'-P energy: -108.583
tors. eta vs tors. theta energy: -200.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2288.295132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.295132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.295132 (E_RNA)
where:
Base-Base interactions energy: -1601.982
where: short stacking energy: -621.849
Base-Backbone interact. energy: -4.720
local terms energy: -681.593624
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -136.150
flat angles C4'-P-C4' energy: -148.246
flat angles P-C4'-P energy: -103.875
tors. eta vs tors. theta energy: -183.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2191.290720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.290720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.290720 (E_RNA)
where:
Base-Base interactions energy: -1563.089
where: short stacking energy: -597.701
Base-Backbone interact. energy: -1.144
local terms energy: -627.057394
where:
bonds (distance) C4'-P energy: -102.640
bonds (distance) P-C4' energy: -117.481
flat angles C4'-P-C4' energy: -143.888
flat angles P-C4'-P energy: -84.408
tors. eta vs tors. theta energy: -178.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2031.225301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.225301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.225301 (E_RNA)
where:
Base-Base interactions energy: -1433.903
where: short stacking energy: -575.404
Base-Backbone interact. energy: -3.140
local terms energy: -594.182094
where:
bonds (distance) C4'-P energy: -106.395
bonds (distance) P-C4' energy: -113.706
flat angles C4'-P-C4' energy: -124.455
flat angles P-C4'-P energy: -81.007
tors. eta vs tors. theta energy: -168.620
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: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2003.859076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.859076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.859076 (E_RNA)
where:
Base-Base interactions energy: -1414.231
where: short stacking energy: -557.580
Base-Backbone interact. energy: -2.217
local terms energy: -587.411056
where:
bonds (distance) C4'-P energy: -115.632
bonds (distance) P-C4' energy: -105.179
flat angles C4'-P-C4' energy: -124.784
flat angles P-C4'-P energy: -80.784
tors. eta vs tors. theta energy: -161.032
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: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1823.808418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.808418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.808418 (E_RNA)
where:
Base-Base interactions energy: -1276.958
where: short stacking energy: -504.399
Base-Backbone interact. energy: -1.294
local terms energy: -545.555881
where:
bonds (distance) C4'-P energy: -101.626
bonds (distance) P-C4' energy: -108.854
flat angles C4'-P-C4' energy: -113.674
flat angles P-C4'-P energy: -76.732
tors. eta vs tors. theta energy: -144.670
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: 349
Temperature: 1.200000
Total energy: -1524.946331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.946331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.946331 (E_RNA)
where:
Base-Base interactions energy: -1031.567
where: short stacking energy: -446.904
Base-Backbone interact. energy: 0.847
local terms energy: -494.226505
where:
bonds (distance) C4'-P energy: -94.205
bonds (distance) P-C4' energy: -105.472
flat angles C4'-P-C4' energy: -116.270
flat angles P-C4'-P energy: -76.005
tors. eta vs tors. theta energy: -102.274
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: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1140.068328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.068328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.068328 (E_RNA)
where:
Base-Base interactions energy: -704.904
where: short stacking energy: -290.392
Base-Backbone interact. energy: -2.297
local terms energy: -432.866516
where:
bonds (distance) C4'-P energy: -91.817
bonds (distance) P-C4' energy: -107.195
flat angles C4'-P-C4' energy: -102.242
flat angles P-C4'-P energy: -64.765
tors. eta vs tors. theta energy: -66.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1019.769197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.769197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.769197 (E_RNA)
where:
Base-Base interactions energy: -609.219
where: short stacking energy: -261.292
Base-Backbone interact. energy: 4.330
local terms energy: -414.879516
where:
bonds (distance) C4'-P energy: -93.595
bonds (distance) P-C4' energy: -107.248
flat angles C4'-P-C4' energy: -110.077
flat angles P-C4'-P energy: -58.688
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -437.438358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.438358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.438358 (E_RNA)
where:
Base-Base interactions energy: -108.269
where: short stacking energy: -100.164
Base-Backbone interact. energy: -1.596
local terms energy: -327.574131
where:
bonds (distance) C4'-P energy: -103.432
bonds (distance) P-C4' energy: -118.070
flat angles C4'-P-C4' energy: -89.596
flat angles P-C4'-P energy: -49.169
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: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2405.976690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.976690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.976690 (E_RNA)
where:
Base-Base interactions energy: -1666.915
where: short stacking energy: -650.911
Base-Backbone interact. energy: 3.969
local terms energy: -743.030643
where:
bonds (distance) C4'-P energy: -137.053
bonds (distance) P-C4' energy: -128.621
flat angles C4'-P-C4' energy: -157.961
flat angles P-C4'-P energy: -117.521
tors. eta vs tors. theta energy: -201.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2282.217545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.217545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.217545 (E_RNA)
where:
Base-Base interactions energy: -1631.460
where: short stacking energy: -623.027
Base-Backbone interact. energy: -3.851
local terms energy: -646.906094
where:
bonds (distance) C4'-P energy: -116.029
bonds (distance) P-C4' energy: -114.637
flat angles C4'-P-C4' energy: -135.805
flat angles P-C4'-P energy: -88.663
tors. eta vs tors. theta energy: -191.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2205.955431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.955431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.955431 (E_RNA)
where:
Base-Base interactions energy: -1557.506
where: short stacking energy: -598.785
Base-Backbone interact. energy: 2.615
local terms energy: -651.064455
where:
bonds (distance) C4'-P energy: -130.438
bonds (distance) P-C4' energy: -122.878
flat angles C4'-P-C4' energy: -126.990
flat angles P-C4'-P energy: -88.225
tors. eta vs tors. theta energy: -182.534
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: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2043.331718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.331718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.331718 (E_RNA)
where:
Base-Base interactions energy: -1415.100
where: short stacking energy: -599.596
Base-Backbone interact. energy: -1.416
local terms energy: -626.815838
where:
bonds (distance) C4'-P energy: -114.884
bonds (distance) P-C4' energy: -116.060
flat angles C4'-P-C4' energy: -128.220
flat angles P-C4'-P energy: -90.042
tors. eta vs tors. theta energy: -177.610
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: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1998.897951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.897951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.897951 (E_RNA)
where:
Base-Base interactions energy: -1378.591
where: short stacking energy: -525.287
Base-Backbone interact. energy: -2.465
local terms energy: -617.841469
where:
bonds (distance) C4'-P energy: -116.606
bonds (distance) P-C4' energy: -125.242
flat angles C4'-P-C4' energy: -135.426
flat angles P-C4'-P energy: -85.927
tors. eta vs tors. theta energy: -154.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1848.716456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.716456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.716456 (E_RNA)
where:
Base-Base interactions energy: -1254.520
where: short stacking energy: -526.233
Base-Backbone interact. energy: 3.830
local terms energy: -598.025616
where:
bonds (distance) C4'-P energy: -110.578
bonds (distance) P-C4' energy: -108.063
flat angles C4'-P-C4' energy: -132.521
flat angles P-C4'-P energy: -76.261
tors. eta vs tors. theta energy: -170.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1581.894921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.894921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.894921 (E_RNA)
where:
Base-Base interactions energy: -1041.618
where: short stacking energy: -424.658
Base-Backbone interact. energy: -4.174
local terms energy: -536.102727
where:
bonds (distance) C4'-P energy: -107.655
bonds (distance) P-C4' energy: -124.576
flat angles C4'-P-C4' energy: -115.083
flat angles P-C4'-P energy: -68.039
tors. eta vs tors. theta energy: -120.750
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: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1102.518932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.518932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.518932 (E_RNA)
where:
Base-Base interactions energy: -661.077
where: short stacking energy: -298.275
Base-Backbone interact. energy: 4.023
local terms energy: -445.464645
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -106.289
flat angles C4'-P-C4' energy: -100.491
flat angles P-C4'-P energy: -59.798
tors. eta vs tors. theta energy: -56.479
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: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -991.301106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.301106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.301106 (E_RNA)
where:
Base-Base interactions energy: -564.145
where: short stacking energy: -253.325
Base-Backbone interact. energy: -1.580
local terms energy: -425.576036
where:
bonds (distance) C4'-P energy: -112.452
bonds (distance) P-C4' energy: -112.351
flat angles C4'-P-C4' energy: -87.915
flat angles P-C4'-P energy: -70.064
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: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -460.989508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.989508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.989508 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -124.531
Base-Backbone interact. energy: 0.963
local terms energy: -317.980016
where:
bonds (distance) C4'-P energy: -100.015
bonds (distance) P-C4' energy: -117.107
flat angles C4'-P-C4' energy: -88.519
flat angles P-C4'-P energy: -31.462
tors. eta vs tors. theta energy: 19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2394.773425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.773425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.773425 (E_RNA)
where:
Base-Base interactions energy: -1697.782
where: short stacking energy: -666.534
Base-Backbone interact. energy: -0.760
local terms energy: -696.230866
where:
bonds (distance) C4'-P energy: -113.295
bonds (distance) P-C4' energy: -117.603
flat angles C4'-P-C4' energy: -155.762
flat angles P-C4'-P energy: -106.954
tors. eta vs tors. theta energy: -202.617
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: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2274.695956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.695956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.695956 (E_RNA)
where:
Base-Base interactions energy: -1616.842
where: short stacking energy: -647.263
Base-Backbone interact. energy: -3.364
local terms energy: -654.489741
where:
bonds (distance) C4'-P energy: -123.259
bonds (distance) P-C4' energy: -120.818
flat angles C4'-P-C4' energy: -139.556
flat angles P-C4'-P energy: -85.855
tors. eta vs tors. theta energy: -185.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2244.101348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.101348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.101348 (E_RNA)
where:
Base-Base interactions energy: -1597.893
where: short stacking energy: -611.888
Base-Backbone interact. energy: -2.296
local terms energy: -643.912570
where:
bonds (distance) C4'-P energy: -117.121
bonds (distance) P-C4' energy: -109.767
flat angles C4'-P-C4' energy: -143.871
flat angles P-C4'-P energy: -99.104
tors. eta vs tors. theta energy: -174.050
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: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2070.675725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.675725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.675725 (E_RNA)
where:
Base-Base interactions energy: -1423.204
where: short stacking energy: -565.809
Base-Backbone interact. energy: -1.595
local terms energy: -645.876161
where:
bonds (distance) C4'-P energy: -115.925
bonds (distance) P-C4' energy: -119.351
flat angles C4'-P-C4' energy: -140.649
flat angles P-C4'-P energy: -92.680
tors. eta vs tors. theta energy: -177.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1999.777006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.777006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.777006 (E_RNA)
where:
Base-Base interactions energy: -1403.201
where: short stacking energy: -558.484
Base-Backbone interact. energy: 0.551
local terms energy: -597.126572
where:
bonds (distance) C4'-P energy: -114.825
bonds (distance) P-C4' energy: -107.275
flat angles C4'-P-C4' energy: -129.358
flat angles P-C4'-P energy: -93.354
tors. eta vs tors. theta energy: -152.315
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: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1806.946633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.946633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.946633 (E_RNA)
where:
Base-Base interactions energy: -1255.089
where: short stacking energy: -523.021
Base-Backbone interact. energy: -2.246
local terms energy: -549.612014
where:
bonds (distance) C4'-P energy: -108.739
bonds (distance) P-C4' energy: -99.634
flat angles C4'-P-C4' energy: -113.598
flat angles P-C4'-P energy: -65.652
tors. eta vs tors. theta energy: -161.990
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: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1610.109138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.109138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.109138 (E_RNA)
where:
Base-Base interactions energy: -1078.462
where: short stacking energy: -440.322
Base-Backbone interact. energy: -2.511
local terms energy: -529.136118
where:
bonds (distance) C4'-P energy: -98.100
bonds (distance) P-C4' energy: -99.801
flat angles C4'-P-C4' energy: -120.216
flat angles P-C4'-P energy: -84.248
tors. eta vs tors. theta energy: -126.771
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: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1114.373843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.373843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.373843 (E_RNA)
where:
Base-Base interactions energy: -680.940
where: short stacking energy: -297.047
Base-Backbone interact. energy: 0.234
local terms energy: -433.668015
where:
bonds (distance) C4'-P energy: -92.680
bonds (distance) P-C4' energy: -112.954
flat angles C4'-P-C4' energy: -110.253
flat angles P-C4'-P energy: -66.927
tors. eta vs tors. theta energy: -50.854
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: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1070.682613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.682613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.682613 (E_RNA)
where:
Base-Base interactions energy: -633.934
where: short stacking energy: -297.397
Base-Backbone interact. energy: -3.334
local terms energy: -433.414954
where:
bonds (distance) C4'-P energy: -113.142
bonds (distance) P-C4' energy: -92.651
flat angles C4'-P-C4' energy: -102.526
flat angles P-C4'-P energy: -69.324
tors. eta vs tors. theta energy: -55.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -462.720287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.720287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.720287 (E_RNA)
where:
Base-Base interactions energy: -141.155
where: short stacking energy: -116.475
Base-Backbone interact. energy: 1.438
local terms energy: -323.002863
where:
bonds (distance) C4'-P energy: -106.546
bonds (distance) P-C4' energy: -100.406
flat angles C4'-P-C4' energy: -84.612
flat angles P-C4'-P energy: -62.498
tors. eta vs tors. theta energy: 31.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2390.649532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.649532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.649532 (E_RNA)
where:
Base-Base interactions energy: -1685.399
where: short stacking energy: -676.368
Base-Backbone interact. energy: -2.792
local terms energy: -702.457948
where:
bonds (distance) C4'-P energy: -123.951
bonds (distance) P-C4' energy: -127.906
flat angles C4'-P-C4' energy: -158.061
flat angles P-C4'-P energy: -89.031
tors. eta vs tors. theta energy: -203.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2262.759114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.759114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.759114 (E_RNA)
where:
Base-Base interactions energy: -1603.380
where: short stacking energy: -633.999
Base-Backbone interact. energy: -6.949
local terms energy: -652.430960
where:
bonds (distance) C4'-P energy: -116.395
bonds (distance) P-C4' energy: -116.098
flat angles C4'-P-C4' energy: -139.555
flat angles P-C4'-P energy: -94.649
tors. eta vs tors. theta energy: -185.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2176.486754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.486754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.486754 (E_RNA)
where:
Base-Base interactions energy: -1530.775
where: short stacking energy: -584.460
Base-Backbone interact. energy: -2.982
local terms energy: -642.729916
where:
bonds (distance) C4'-P energy: -122.185
bonds (distance) P-C4' energy: -119.624
flat angles C4'-P-C4' energy: -137.145
flat angles P-C4'-P energy: -88.939
tors. eta vs tors. theta energy: -174.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2015.497896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.497896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.497896 (E_RNA)
where:
Base-Base interactions energy: -1410.324
where: short stacking energy: -537.061
Base-Backbone interact. energy: -3.783
local terms energy: -601.390182
where:
bonds (distance) C4'-P energy: -98.746
bonds (distance) P-C4' energy: -120.029
flat angles C4'-P-C4' energy: -130.833
flat angles P-C4'-P energy: -82.989
tors. eta vs tors. theta energy: -168.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2102.617444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.617444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.617444 (E_RNA)
where:
Base-Base interactions energy: -1503.821
where: short stacking energy: -561.383
Base-Backbone interact. energy: 3.225
local terms energy: -602.021545
where:
bonds (distance) C4'-P energy: -100.210
bonds (distance) P-C4' energy: -103.947
flat angles C4'-P-C4' energy: -123.095
flat angles P-C4'-P energy: -95.737
tors. eta vs tors. theta energy: -179.032
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: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1838.474787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.474787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.474787 (E_RNA)
where:
Base-Base interactions energy: -1286.844
where: short stacking energy: -517.309
Base-Backbone interact. energy: -3.297
local terms energy: -548.334286
where:
bonds (distance) C4'-P energy: -93.983
bonds (distance) P-C4' energy: -107.532
flat angles C4'-P-C4' energy: -128.278
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -153.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1575.991156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.991156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.991156 (E_RNA)
where:
Base-Base interactions energy: -1081.259
where: short stacking energy: -453.638
Base-Backbone interact. energy: -0.297
local terms energy: -494.435079
where:
bonds (distance) C4'-P energy: -96.324
bonds (distance) P-C4' energy: -94.130
flat angles C4'-P-C4' energy: -118.084
flat angles P-C4'-P energy: -72.762
tors. eta vs tors. theta energy: -113.135
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: 352
Temperature: 1.250000
Total energy: -1149.872750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.872750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.872750 (E_RNA)
where:
Base-Base interactions energy: -703.306
where: short stacking energy: -325.593
Base-Backbone interact. energy: 3.575
local terms energy: -450.142228
where:
bonds (distance) C4'-P energy: -105.572
bonds (distance) P-C4' energy: -117.579
flat angles C4'-P-C4' energy: -108.418
flat angles P-C4'-P energy: -51.622
tors. eta vs tors. theta energy: -66.952
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: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1048.051108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.051108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.051108 (E_RNA)
where:
Base-Base interactions energy: -641.754
where: short stacking energy: -282.552
Base-Backbone interact. energy: 1.785
local terms energy: -408.081914
where:
bonds (distance) C4'-P energy: -106.561
bonds (distance) P-C4' energy: -120.174
flat angles C4'-P-C4' energy: -78.798
flat angles P-C4'-P energy: -50.595
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: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -445.636222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.636222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.636222 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -107.643
Base-Backbone interact. energy: -0.609
local terms energy: -315.996030
where:
bonds (distance) C4'-P energy: -105.321
bonds (distance) P-C4' energy: -107.521
flat angles C4'-P-C4' energy: -93.361
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: 29.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2442.820130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.820130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.820130 (E_RNA)
where:
Base-Base interactions energy: -1696.078
where: short stacking energy: -684.368
Base-Backbone interact. energy: -2.391
local terms energy: -744.351181
where:
bonds (distance) C4'-P energy: -140.575
bonds (distance) P-C4' energy: -137.345
flat angles C4'-P-C4' energy: -155.277
flat angles P-C4'-P energy: -99.361
tors. eta vs tors. theta energy: -211.793
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: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2265.660388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.660388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.660388 (E_RNA)
where:
Base-Base interactions energy: -1641.616
where: short stacking energy: -644.812
Base-Backbone interact. energy: 6.267
local terms energy: -630.311623
where:
bonds (distance) C4'-P energy: -106.814
bonds (distance) P-C4' energy: -114.147
flat angles C4'-P-C4' energy: -130.013
flat angles P-C4'-P energy: -93.031
tors. eta vs tors. theta energy: -186.306
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: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2149.287401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.287401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.287401 (E_RNA)
where:
Base-Base interactions energy: -1530.506
where: short stacking energy: -595.985
Base-Backbone interact. energy: -0.134
local terms energy: -618.648034
where:
bonds (distance) C4'-P energy: -113.901
bonds (distance) P-C4' energy: -120.595
flat angles C4'-P-C4' energy: -132.806
flat angles P-C4'-P energy: -84.814
tors. eta vs tors. theta energy: -166.532
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: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2166.145939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.145939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.145939 (E_RNA)
where:
Base-Base interactions energy: -1529.306
where: short stacking energy: -579.751
Base-Backbone interact. energy: -1.928
local terms energy: -634.912421
where:
bonds (distance) C4'-P energy: -99.825
bonds (distance) P-C4' energy: -133.391
flat angles C4'-P-C4' energy: -136.433
flat angles P-C4'-P energy: -92.401
tors. eta vs tors. theta energy: -172.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1959.928028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.928028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.928028 (E_RNA)
where:
Base-Base interactions energy: -1326.158
where: short stacking energy: -521.457
Base-Backbone interact. energy: -0.847
local terms energy: -632.923583
where:
bonds (distance) C4'-P energy: -119.908
bonds (distance) P-C4' energy: -117.771
flat angles C4'-P-C4' energy: -131.574
flat angles P-C4'-P energy: -97.635
tors. eta vs tors. theta energy: -166.036
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: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1874.468720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.468720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.468720 (E_RNA)
where:
Base-Base interactions energy: -1325.298
where: short stacking energy: -524.931
Base-Backbone interact. energy: -0.742
local terms energy: -548.428695
where:
bonds (distance) C4'-P energy: -98.496
bonds (distance) P-C4' energy: -81.077
flat angles C4'-P-C4' energy: -130.742
flat angles P-C4'-P energy: -85.719
tors. eta vs tors. theta energy: -152.395
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: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1586.754831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.754831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.754831 (E_RNA)
where:
Base-Base interactions energy: -1063.086
where: short stacking energy: -457.077
Base-Backbone interact. energy: -4.033
local terms energy: -519.635740
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -83.863
flat angles C4'-P-C4' energy: -127.989
flat angles P-C4'-P energy: -77.478
tors. eta vs tors. theta energy: -126.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1128.974953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.974953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.974953 (E_RNA)
where:
Base-Base interactions energy: -687.139
where: short stacking energy: -297.992
Base-Backbone interact. energy: -2.470
local terms energy: -439.365831
where:
bonds (distance) C4'-P energy: -97.822
bonds (distance) P-C4' energy: -107.478
flat angles C4'-P-C4' energy: -110.601
flat angles P-C4'-P energy: -63.704
tors. eta vs tors. theta energy: -59.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1068.620515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.620515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.620515 (E_RNA)
where:
Base-Base interactions energy: -677.035
where: short stacking energy: -300.988
Base-Backbone interact. energy: -0.012
local terms energy: -391.573939
where:
bonds (distance) C4'-P energy: -89.536
bonds (distance) P-C4' energy: -100.730
flat angles C4'-P-C4' energy: -95.195
flat angles P-C4'-P energy: -74.107
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -460.656962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.656962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.656962 (E_RNA)
where:
Base-Base interactions energy: -172.443
where: short stacking energy: -123.203
Base-Backbone interact. energy: 0.588
local terms energy: -288.801917
where:
bonds (distance) C4'-P energy: -80.647
bonds (distance) P-C4' energy: -105.582
flat angles C4'-P-C4' energy: -94.297
flat angles P-C4'-P energy: -51.466
tors. eta vs tors. theta energy: 43.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2395.955756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.955756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.955756 (E_RNA)
where:
Base-Base interactions energy: -1683.428
where: short stacking energy: -673.915
Base-Backbone interact. energy: -3.085
local terms energy: -709.442825
where:
bonds (distance) C4'-P energy: -126.615
bonds (distance) P-C4' energy: -123.434
flat angles C4'-P-C4' energy: -147.387
flat angles P-C4'-P energy: -104.142
tors. eta vs tors. theta energy: -207.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2266.889901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.889901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.889901 (E_RNA)
where:
Base-Base interactions energy: -1574.137
where: short stacking energy: -632.921
Base-Backbone interact. energy: -1.535
local terms energy: -691.217416
where:
bonds (distance) C4'-P energy: -130.978
bonds (distance) P-C4' energy: -124.593
flat angles C4'-P-C4' energy: -138.913
flat angles P-C4'-P energy: -102.238
tors. eta vs tors. theta energy: -194.495
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: 354
Temperature: 1.000000
Total energy: -2203.442324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.442324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.442324 (E_RNA)
where:
Base-Base interactions energy: -1556.495
where: short stacking energy: -609.712
Base-Backbone interact. energy: 0.267
local terms energy: -647.214217
where:
bonds (distance) C4'-P energy: -120.483
bonds (distance) P-C4' energy: -122.044
flat angles C4'-P-C4' energy: -128.415
flat angles P-C4'-P energy: -101.142
tors. eta vs tors. theta energy: -175.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2122.596174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.596174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.596174 (E_RNA)
where:
Base-Base interactions energy: -1516.403
where: short stacking energy: -608.932
Base-Backbone interact. energy: -2.780
local terms energy: -603.412895
where:
bonds (distance) C4'-P energy: -112.401
bonds (distance) P-C4' energy: -111.201
flat angles C4'-P-C4' energy: -115.662
flat angles P-C4'-P energy: -92.354
tors. eta vs tors. theta energy: -171.794
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: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1974.799470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.799470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.799470 (E_RNA)
where:
Base-Base interactions energy: -1354.517
where: short stacking energy: -545.734
Base-Backbone interact. energy: -2.335
local terms energy: -617.947949
where:
bonds (distance) C4'-P energy: -123.867
bonds (distance) P-C4' energy: -123.984
flat angles C4'-P-C4' energy: -131.805
flat angles P-C4'-P energy: -73.490
tors. eta vs tors. theta energy: -164.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1812.646564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.646564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.646564 (E_RNA)
where:
Base-Base interactions energy: -1240.496
where: short stacking energy: -481.982
Base-Backbone interact. energy: -4.325
local terms energy: -567.825436
where:
bonds (distance) C4'-P energy: -108.749
bonds (distance) P-C4' energy: -99.355
flat angles C4'-P-C4' energy: -124.460
flat angles P-C4'-P energy: -79.944
tors. eta vs tors. theta energy: -155.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1622.918431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.918431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.918431 (E_RNA)
where:
Base-Base interactions energy: -1068.988
where: short stacking energy: -448.954
Base-Backbone interact. energy: 1.764
local terms energy: -555.694899
where:
bonds (distance) C4'-P energy: -106.633
bonds (distance) P-C4' energy: -120.679
flat angles C4'-P-C4' energy: -127.347
flat angles P-C4'-P energy: -74.156
tors. eta vs tors. theta energy: -126.879
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: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1117.479402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.479402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.479402 (E_RNA)
where:
Base-Base interactions energy: -694.099
where: short stacking energy: -301.611
Base-Backbone interact. energy: -0.695
local terms energy: -422.685486
where:
bonds (distance) C4'-P energy: -91.279
bonds (distance) P-C4' energy: -114.301
flat angles C4'-P-C4' energy: -96.853
flat angles P-C4'-P energy: -69.868
tors. eta vs tors. theta energy: -50.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1099.688920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.688920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.688920 (E_RNA)
where:
Base-Base interactions energy: -663.428
where: short stacking energy: -298.179
Base-Backbone interact. energy: -0.960
local terms energy: -435.300599
where:
bonds (distance) C4'-P energy: -113.173
bonds (distance) P-C4' energy: -98.229
flat angles C4'-P-C4' energy: -112.042
flat angles P-C4'-P energy: -50.984
tors. eta vs tors. theta energy: -60.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -462.129440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.129440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.129440 (E_RNA)
where:
Base-Base interactions energy: -139.429
where: short stacking energy: -108.873
Base-Backbone interact. energy: -2.687
local terms energy: -320.013018
where:
bonds (distance) C4'-P energy: -105.079
bonds (distance) P-C4' energy: -108.702
flat angles C4'-P-C4' energy: -84.722
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: 20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2388.432777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.432777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.432777 (E_RNA)
where:
Base-Base interactions energy: -1682.412
where: short stacking energy: -675.247
Base-Backbone interact. energy: -3.050
local terms energy: -702.970911
where:
bonds (distance) C4'-P energy: -119.036
bonds (distance) P-C4' energy: -126.366
flat angles C4'-P-C4' energy: -152.387
flat angles P-C4'-P energy: -102.345
tors. eta vs tors. theta energy: -202.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2268.401937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.401937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.401937 (E_RNA)
where:
Base-Base interactions energy: -1605.270
where: short stacking energy: -622.093
Base-Backbone interact. energy: -2.658
local terms energy: -660.473614
where:
bonds (distance) C4'-P energy: -107.143
bonds (distance) P-C4' energy: -131.441
flat angles C4'-P-C4' energy: -127.556
flat angles P-C4'-P energy: -103.070
tors. eta vs tors. theta energy: -191.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2208.800495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.800495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.800495 (E_RNA)
where:
Base-Base interactions energy: -1566.305
where: short stacking energy: -586.796
Base-Backbone interact. energy: -2.499
local terms energy: -639.996026
where:
bonds (distance) C4'-P energy: -106.467
bonds (distance) P-C4' energy: -113.069
flat angles C4'-P-C4' energy: -147.301
flat angles P-C4'-P energy: -93.189
tors. eta vs tors. theta energy: -179.970
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: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2083.984062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.984062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.984062 (E_RNA)
where:
Base-Base interactions energy: -1484.238
where: short stacking energy: -587.188
Base-Backbone interact. energy: 0.030
local terms energy: -599.776105
where:
bonds (distance) C4'-P energy: -106.189
bonds (distance) P-C4' energy: -111.284
flat angles C4'-P-C4' energy: -130.341
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -176.382
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: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1931.036656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.036656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.036656 (E_RNA)
where:
Base-Base interactions energy: -1329.837
where: short stacking energy: -517.356
Base-Backbone interact. energy: -3.190
local terms energy: -598.009591
where:
bonds (distance) C4'-P energy: -117.125
bonds (distance) P-C4' energy: -124.374
flat angles C4'-P-C4' energy: -134.334
flat angles P-C4'-P energy: -69.915
tors. eta vs tors. theta energy: -152.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1829.616598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.616598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.616598 (E_RNA)
where:
Base-Base interactions energy: -1276.842
where: short stacking energy: -493.301
Base-Backbone interact. energy: 2.774
local terms energy: -555.548821
where:
bonds (distance) C4'-P energy: -104.735
bonds (distance) P-C4' energy: -113.072
flat angles C4'-P-C4' energy: -120.814
flat angles P-C4'-P energy: -72.737
tors. eta vs tors. theta energy: -144.190
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: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1569.705412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.705412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.705412 (E_RNA)
where:
Base-Base interactions energy: -1065.635
where: short stacking energy: -445.601
Base-Backbone interact. energy: 0.399
local terms energy: -504.468871
where:
bonds (distance) C4'-P energy: -80.131
bonds (distance) P-C4' energy: -108.136
flat angles C4'-P-C4' energy: -121.215
flat angles P-C4'-P energy: -64.013
tors. eta vs tors. theta energy: -130.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1128.241559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.241559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.241559 (E_RNA)
where:
Base-Base interactions energy: -696.549
where: short stacking energy: -325.324
Base-Backbone interact. energy: 0.264
local terms energy: -431.957046
where:
bonds (distance) C4'-P energy: -110.502
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -92.209
flat angles P-C4'-P energy: -62.212
tors. eta vs tors. theta energy: -57.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1056.287825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.287825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.287825 (E_RNA)
where:
Base-Base interactions energy: -639.349
where: short stacking energy: -268.045
Base-Backbone interact. energy: 5.187
local terms energy: -422.125188
where:
bonds (distance) C4'-P energy: -100.354
bonds (distance) P-C4' energy: -105.426
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -71.139
tors. eta vs tors. theta energy: -45.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -450.635427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.635427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.635427 (E_RNA)
where:
Base-Base interactions energy: -122.195
where: short stacking energy: -101.741
Base-Backbone interact. energy: 6.273
local terms energy: -334.713189
where:
bonds (distance) C4'-P energy: -113.812
bonds (distance) P-C4' energy: -119.539
flat angles C4'-P-C4' energy: -96.104
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: 53.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2391.376734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.376734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.376734 (E_RNA)
where:
Base-Base interactions energy: -1673.684
where: short stacking energy: -682.312
Base-Backbone interact. energy: -1.411
local terms energy: -716.281370
where:
bonds (distance) C4'-P energy: -131.584
bonds (distance) P-C4' energy: -125.985
flat angles C4'-P-C4' energy: -153.315
flat angles P-C4'-P energy: -92.745
tors. eta vs tors. theta energy: -212.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2251.968591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.968591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.968591 (E_RNA)
where:
Base-Base interactions energy: -1592.308
where: short stacking energy: -635.486
Base-Backbone interact. energy: -3.391
local terms energy: -656.269403
where:
bonds (distance) C4'-P energy: -115.898
bonds (distance) P-C4' energy: -116.669
flat angles C4'-P-C4' energy: -136.112
flat angles P-C4'-P energy: -93.350
tors. eta vs tors. theta energy: -194.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2207.110491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.110491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.110491 (E_RNA)
where:
Base-Base interactions energy: -1541.448
where: short stacking energy: -622.873
Base-Backbone interact. energy: -2.336
local terms energy: -663.325962
where:
bonds (distance) C4'-P energy: -122.146
bonds (distance) P-C4' energy: -121.942
flat angles C4'-P-C4' energy: -137.754
flat angles P-C4'-P energy: -93.066
tors. eta vs tors. theta energy: -188.419
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: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2064.489121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.489121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.489121 (E_RNA)
where:
Base-Base interactions energy: -1447.263
where: short stacking energy: -571.283
Base-Backbone interact. energy: -2.810
local terms energy: -614.416273
where:
bonds (distance) C4'-P energy: -114.415
bonds (distance) P-C4' energy: -119.442
flat angles C4'-P-C4' energy: -113.921
flat angles P-C4'-P energy: -85.703
tors. eta vs tors. theta energy: -180.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1889.403511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.403511 (E_RNA)
where:
Base-Base interactions energy: -1310.198
where: short stacking energy: -525.047
Base-Backbone interact. energy: -1.839
local terms energy: -577.367085
where:
bonds (distance) C4'-P energy: -110.918
bonds (distance) P-C4' energy: -116.534
flat angles C4'-P-C4' energy: -121.435
flat angles P-C4'-P energy: -67.253
tors. eta vs tors. theta energy: -161.226
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1877.191652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.191652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.191652 (E_RNA)
where:
Base-Base interactions energy: -1298.598
where: short stacking energy: -518.225
Base-Backbone interact. energy: -0.414
local terms energy: -578.180004
where:
bonds (distance) C4'-P energy: -106.138
bonds (distance) P-C4' energy: -121.828
flat angles C4'-P-C4' energy: -111.671
flat angles P-C4'-P energy: -85.842
tors. eta vs tors. theta energy: -152.702
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: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1580.063165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.063165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.063165 (E_RNA)
where:
Base-Base interactions energy: -1030.794
where: short stacking energy: -444.845
Base-Backbone interact. energy: -2.721
local terms energy: -546.547635
where:
bonds (distance) C4'-P energy: -119.606
bonds (distance) P-C4' energy: -116.498
flat angles C4'-P-C4' energy: -110.192
flat angles P-C4'-P energy: -66.599
tors. eta vs tors. theta energy: -133.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1146.494064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.494064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.494064 (E_RNA)
where:
Base-Base interactions energy: -709.345
where: short stacking energy: -321.763
Base-Backbone interact. energy: 2.489
local terms energy: -439.637910
where:
bonds (distance) C4'-P energy: -96.380
bonds (distance) P-C4' energy: -96.883
flat angles C4'-P-C4' energy: -111.945
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: -79.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1093.213268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.213268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.213268 (E_RNA)
where:
Base-Base interactions energy: -652.858
where: short stacking energy: -284.857
Base-Backbone interact. energy: -0.037
local terms energy: -440.318805
where:
bonds (distance) C4'-P energy: -114.695
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -97.830
flat angles P-C4'-P energy: -67.873
tors. eta vs tors. theta energy: -49.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -471.363032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.363032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.363032 (E_RNA)
where:
Base-Base interactions energy: -138.584
where: short stacking energy: -117.257
Base-Backbone interact. energy: 0.346
local terms energy: -333.125200
where:
bonds (distance) C4'-P energy: -107.981
bonds (distance) P-C4' energy: -116.519
flat angles C4'-P-C4' energy: -82.618
flat angles P-C4'-P energy: -50.114
tors. eta vs tors. theta energy: 24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2402.398435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.398435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.398435 (E_RNA)
where:
Base-Base interactions energy: -1685.682
where: short stacking energy: -648.067
Base-Backbone interact. energy: -1.045
local terms energy: -715.671581
where:
bonds (distance) C4'-P energy: -116.291
bonds (distance) P-C4' energy: -136.778
flat angles C4'-P-C4' energy: -150.632
flat angles P-C4'-P energy: -102.959
tors. eta vs tors. theta energy: -209.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2297.019854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.019854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.019854 (E_RNA)
where:
Base-Base interactions energy: -1642.087
where: short stacking energy: -659.310
Base-Backbone interact. energy: -3.088
local terms energy: -651.844021
where:
bonds (distance) C4'-P energy: -120.112
bonds (distance) P-C4' energy: -109.562
flat angles C4'-P-C4' energy: -136.363
flat angles P-C4'-P energy: -91.920
tors. eta vs tors. theta energy: -193.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2209.059218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.059218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.059218 (E_RNA)
where:
Base-Base interactions energy: -1547.845
where: short stacking energy: -613.224
Base-Backbone interact. energy: 3.731
local terms energy: -664.945344
where:
bonds (distance) C4'-P energy: -130.002
bonds (distance) P-C4' energy: -105.015
flat angles C4'-P-C4' energy: -142.415
flat angles P-C4'-P energy: -113.643
tors. eta vs tors. theta energy: -173.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2068.284944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.284944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.284944 (E_RNA)
where:
Base-Base interactions energy: -1456.852
where: short stacking energy: -572.936
Base-Backbone interact. energy: 0.047
local terms energy: -611.479795
where:
bonds (distance) C4'-P energy: -124.645
bonds (distance) P-C4' energy: -110.391
flat angles C4'-P-C4' energy: -126.318
flat angles P-C4'-P energy: -80.476
tors. eta vs tors. theta energy: -169.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1937.229705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.229705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.229705 (E_RNA)
where:
Base-Base interactions energy: -1336.778
where: short stacking energy: -541.364
Base-Backbone interact. energy: 3.128
local terms energy: -603.579947
where:
bonds (distance) C4'-P energy: -114.772
bonds (distance) P-C4' energy: -105.199
flat angles C4'-P-C4' energy: -118.270
flat angles P-C4'-P energy: -87.779
tors. eta vs tors. theta energy: -177.559
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: 357
Temperature: 1.150000
Total energy: -1900.503929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.503929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.503929 (E_RNA)
where:
Base-Base interactions energy: -1329.189
where: short stacking energy: -532.126
Base-Backbone interact. energy: -2.305
local terms energy: -569.009510
where:
bonds (distance) C4'-P energy: -99.300
bonds (distance) P-C4' energy: -110.834
flat angles C4'-P-C4' energy: -120.377
flat angles P-C4'-P energy: -74.824
tors. eta vs tors. theta energy: -163.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1539.004977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.004977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.004977 (E_RNA)
where:
Base-Base interactions energy: -1014.760
where: short stacking energy: -424.146
Base-Backbone interact. energy: 1.233
local terms energy: -525.477238
where:
bonds (distance) C4'-P energy: -102.518
bonds (distance) P-C4' energy: -114.473
flat angles C4'-P-C4' energy: -113.836
flat angles P-C4'-P energy: -70.843
tors. eta vs tors. theta energy: -123.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1148.098669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.098669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.098669 (E_RNA)
where:
Base-Base interactions energy: -692.007
where: short stacking energy: -307.428
Base-Backbone interact. energy: 5.555
local terms energy: -461.646550
where:
bonds (distance) C4'-P energy: -97.209
bonds (distance) P-C4' energy: -98.337
flat angles C4'-P-C4' energy: -114.066
flat angles P-C4'-P energy: -83.192
tors. eta vs tors. theta energy: -68.843
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: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1046.733197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.733197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.733197 (E_RNA)
where:
Base-Base interactions energy: -645.670
where: short stacking energy: -290.920
Base-Backbone interact. energy: -2.265
local terms energy: -398.798165
where:
bonds (distance) C4'-P energy: -120.767
bonds (distance) P-C4' energy: -82.249
flat angles C4'-P-C4' energy: -96.376
flat angles P-C4'-P energy: -43.797
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: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -458.112044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.112044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.112044 (E_RNA)
where:
Base-Base interactions energy: -161.776
where: short stacking energy: -123.882
Base-Backbone interact. energy: 5.099
local terms energy: -301.435556
where:
bonds (distance) C4'-P energy: -98.800
bonds (distance) P-C4' energy: -111.261
flat angles C4'-P-C4' energy: -61.822
flat angles P-C4'-P energy: -49.265
tors. eta vs tors. theta energy: 19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2391.801285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.801285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.801285 (E_RNA)
where:
Base-Base interactions energy: -1671.242
where: short stacking energy: -673.470
Base-Backbone interact. energy: 0.261
local terms energy: -720.820817
where:
bonds (distance) C4'-P energy: -134.091
bonds (distance) P-C4' energy: -131.996
flat angles C4'-P-C4' energy: -150.165
flat angles P-C4'-P energy: -97.620
tors. eta vs tors. theta energy: -206.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2271.416616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.416616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.416616 (E_RNA)
where:
Base-Base interactions energy: -1591.042
where: short stacking energy: -611.302
Base-Backbone interact. energy: -1.078
local terms energy: -679.296172
where:
bonds (distance) C4'-P energy: -119.290
bonds (distance) P-C4' energy: -132.431
flat angles C4'-P-C4' energy: -144.807
flat angles P-C4'-P energy: -104.551
tors. eta vs tors. theta energy: -178.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2190.966393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.966393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.966393 (E_RNA)
where:
Base-Base interactions energy: -1553.480
where: short stacking energy: -618.479
Base-Backbone interact. energy: 5.375
local terms energy: -642.862101
where:
bonds (distance) C4'-P energy: -126.006
bonds (distance) P-C4' energy: -112.236
flat angles C4'-P-C4' energy: -130.872
flat angles P-C4'-P energy: -94.494
tors. eta vs tors. theta energy: -179.254
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: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2090.206335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.206335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.206335 (E_RNA)
where:
Base-Base interactions energy: -1459.607
where: short stacking energy: -588.524
Base-Backbone interact. energy: 1.371
local terms energy: -631.969958
where:
bonds (distance) C4'-P energy: -124.966
bonds (distance) P-C4' energy: -119.867
flat angles C4'-P-C4' energy: -136.860
flat angles P-C4'-P energy: -80.573
tors. eta vs tors. theta energy: -169.704
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: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1954.355752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.355752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.355752 (E_RNA)
where:
Base-Base interactions energy: -1335.904
where: short stacking energy: -542.682
Base-Backbone interact. energy: -3.252
local terms energy: -615.200165
where:
bonds (distance) C4'-P energy: -106.148
bonds (distance) P-C4' energy: -125.042
flat angles C4'-P-C4' energy: -125.446
flat angles P-C4'-P energy: -87.582
tors. eta vs tors. theta energy: -170.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1921.361092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.361092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.361092 (E_RNA)
where:
Base-Base interactions energy: -1351.515
where: short stacking energy: -561.487
Base-Backbone interact. energy: -0.354
local terms energy: -569.492611
where:
bonds (distance) C4'-P energy: -104.689
bonds (distance) P-C4' energy: -107.242
flat angles C4'-P-C4' energy: -116.070
flat angles P-C4'-P energy: -79.561
tors. eta vs tors. theta energy: -161.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1531.443517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.443517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.443517 (E_RNA)
where:
Base-Base interactions energy: -1020.445
where: short stacking energy: -408.113
Base-Backbone interact. energy: -1.009
local terms energy: -509.989226
where:
bonds (distance) C4'-P energy: -115.810
bonds (distance) P-C4' energy: -85.426
flat angles C4'-P-C4' energy: -111.438
flat angles P-C4'-P energy: -85.811
tors. eta vs tors. theta energy: -111.504
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: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1180.353413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.353413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.353413 (E_RNA)
where:
Base-Base interactions energy: -718.030
where: short stacking energy: -330.813
Base-Backbone interact. energy: 2.266
local terms energy: -464.589637
where:
bonds (distance) C4'-P energy: -116.863
bonds (distance) P-C4' energy: -111.815
flat angles C4'-P-C4' energy: -99.800
flat angles P-C4'-P energy: -73.161
tors. eta vs tors. theta energy: -62.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1051.537327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.537327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.537327 (E_RNA)
where:
Base-Base interactions energy: -650.260
where: short stacking energy: -278.886
Base-Backbone interact. energy: 5.710
local terms energy: -406.988018
where:
bonds (distance) C4'-P energy: -99.964
bonds (distance) P-C4' energy: -101.369
flat angles C4'-P-C4' energy: -100.054
flat angles P-C4'-P energy: -66.105
tors. eta vs tors. theta energy: -39.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -490.785198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.785198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.785198 (E_RNA)
where:
Base-Base interactions energy: -184.188
where: short stacking energy: -141.879
Base-Backbone interact. energy: -0.143
local terms energy: -306.454302
where:
bonds (distance) C4'-P energy: -105.156
bonds (distance) P-C4' energy: -112.652
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -45.581
tors. eta vs tors. theta energy: 36.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2402.666531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.666531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.666531 (E_RNA)
where:
Base-Base interactions energy: -1701.442
where: short stacking energy: -677.379
Base-Backbone interact. energy: -1.638
local terms energy: -699.586149
where:
bonds (distance) C4'-P energy: -113.001
bonds (distance) P-C4' energy: -128.211
flat angles C4'-P-C4' energy: -137.600
flat angles P-C4'-P energy: -110.172
tors. eta vs tors. theta energy: -210.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2213.536811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.536811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.536811 (E_RNA)
where:
Base-Base interactions energy: -1574.153
where: short stacking energy: -624.221
Base-Backbone interact. energy: 4.487
local terms energy: -643.870796
where:
bonds (distance) C4'-P energy: -105.684
bonds (distance) P-C4' energy: -114.538
flat angles C4'-P-C4' energy: -143.659
flat angles P-C4'-P energy: -97.773
tors. eta vs tors. theta energy: -182.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2237.843289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.843289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.843289 (E_RNA)
where:
Base-Base interactions energy: -1610.271
where: short stacking energy: -648.251
Base-Backbone interact. energy: -4.062
local terms energy: -623.510944
where:
bonds (distance) C4'-P energy: -98.021
bonds (distance) P-C4' energy: -100.987
flat angles C4'-P-C4' energy: -144.570
flat angles P-C4'-P energy: -83.934
tors. eta vs tors. theta energy: -195.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2144.462446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.462446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.462446 (E_RNA)
where:
Base-Base interactions energy: -1533.851
where: short stacking energy: -599.442
Base-Backbone interact. energy: 0.317
local terms energy: -610.928633
where:
bonds (distance) C4'-P energy: -109.028
bonds (distance) P-C4' energy: -101.116
flat angles C4'-P-C4' energy: -134.683
flat angles P-C4'-P energy: -92.578
tors. eta vs tors. theta energy: -173.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1958.032860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.032860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.032860 (E_RNA)
where:
Base-Base interactions energy: -1372.794
where: short stacking energy: -544.496
Base-Backbone interact. energy: -2.113
local terms energy: -583.125983
where:
bonds (distance) C4'-P energy: -107.224
bonds (distance) P-C4' energy: -106.019
flat angles C4'-P-C4' energy: -125.901
flat angles P-C4'-P energy: -80.920
tors. eta vs tors. theta energy: -163.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1906.766732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.766732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.766732 (E_RNA)
where:
Base-Base interactions energy: -1341.204
where: short stacking energy: -531.745
Base-Backbone interact. energy: -3.207
local terms energy: -562.355534
where:
bonds (distance) C4'-P energy: -97.333
bonds (distance) P-C4' energy: -112.416
flat angles C4'-P-C4' energy: -127.272
flat angles P-C4'-P energy: -66.717
tors. eta vs tors. theta energy: -158.618
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: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1542.301721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.301721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.301721 (E_RNA)
where:
Base-Base interactions energy: -1033.687
where: short stacking energy: -438.619
Base-Backbone interact. energy: 0.723
local terms energy: -509.337941
where:
bonds (distance) C4'-P energy: -109.979
bonds (distance) P-C4' energy: -109.954
flat angles C4'-P-C4' energy: -108.517
flat angles P-C4'-P energy: -62.253
tors. eta vs tors. theta energy: -118.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1112.621892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.621892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.621892 (E_RNA)
where:
Base-Base interactions energy: -654.752
where: short stacking energy: -305.699
Base-Backbone interact. energy: -1.848
local terms energy: -456.021877
where:
bonds (distance) C4'-P energy: -110.404
bonds (distance) P-C4' energy: -113.158
flat angles C4'-P-C4' energy: -110.840
flat angles P-C4'-P energy: -65.561
tors. eta vs tors. theta energy: -56.059
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: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1105.517229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.517229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.517229 (E_RNA)
where:
Base-Base interactions energy: -670.184
where: short stacking energy: -292.651
Base-Backbone interact. energy: 0.701
local terms energy: -436.034218
where:
bonds (distance) C4'-P energy: -73.599
bonds (distance) P-C4' energy: -114.748
flat angles C4'-P-C4' energy: -113.814
flat angles P-C4'-P energy: -81.614
tors. eta vs tors. theta energy: -52.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -442.059931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.059931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.059931 (E_RNA)
where:
Base-Base interactions energy: -131.968
where: short stacking energy: -123.416
Base-Backbone interact. energy: 1.232
local terms energy: -311.323866
where:
bonds (distance) C4'-P energy: -103.432
bonds (distance) P-C4' energy: -100.021
flat angles C4'-P-C4' energy: -83.928
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: 24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2428.083367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.083367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.083367 (E_RNA)
where:
Base-Base interactions energy: -1724.843
where: short stacking energy: -690.917
Base-Backbone interact. energy: -1.298
local terms energy: -701.941975
where:
bonds (distance) C4'-P energy: -117.044
bonds (distance) P-C4' energy: -128.974
flat angles C4'-P-C4' energy: -151.123
flat angles P-C4'-P energy: -94.607
tors. eta vs tors. theta energy: -210.193
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: 360
Temperature: 0.950000
Total energy: -2265.660855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.660855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.660855 (E_RNA)
where:
Base-Base interactions energy: -1587.581
where: short stacking energy: -596.765
Base-Backbone interact. energy: -1.794
local terms energy: -676.286210
where:
bonds (distance) C4'-P energy: -126.822
bonds (distance) P-C4' energy: -127.878
flat angles C4'-P-C4' energy: -140.234
flat angles P-C4'-P energy: -99.632
tors. eta vs tors. theta energy: -181.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2177.232424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.232424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.232424 (E_RNA)
where:
Base-Base interactions energy: -1554.096
where: short stacking energy: -586.935
Base-Backbone interact. energy: -0.231
local terms energy: -622.905584
where:
bonds (distance) C4'-P energy: -106.465
bonds (distance) P-C4' energy: -120.523
flat angles C4'-P-C4' energy: -131.624
flat angles P-C4'-P energy: -90.746
tors. eta vs tors. theta energy: -173.547
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: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2188.225301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.225301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.225301 (E_RNA)
where:
Base-Base interactions energy: -1529.741
where: short stacking energy: -594.527
Base-Backbone interact. energy: -2.669
local terms energy: -655.815112
where:
bonds (distance) C4'-P energy: -117.628
bonds (distance) P-C4' energy: -115.315
flat angles C4'-P-C4' energy: -133.381
flat angles P-C4'-P energy: -103.533
tors. eta vs tors. theta energy: -185.958
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: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1948.335636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.335636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.335636 (E_RNA)
where:
Base-Base interactions energy: -1337.177
where: short stacking energy: -535.358
Base-Backbone interact. energy: -2.879
local terms energy: -608.278975
where:
bonds (distance) C4'-P energy: -126.614
bonds (distance) P-C4' energy: -116.554
flat angles C4'-P-C4' energy: -127.637
flat angles P-C4'-P energy: -82.463
tors. eta vs tors. theta energy: -155.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1896.998723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.998723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.998723 (E_RNA)
where:
Base-Base interactions energy: -1337.991
where: short stacking energy: -530.735
Base-Backbone interact. energy: 1.406
local terms energy: -560.414186
where:
bonds (distance) C4'-P energy: -98.915
bonds (distance) P-C4' energy: -107.225
flat angles C4'-P-C4' energy: -124.027
flat angles P-C4'-P energy: -75.026
tors. eta vs tors. theta energy: -155.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1551.934614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.934614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.934614 (E_RNA)
where:
Base-Base interactions energy: -1022.198
where: short stacking energy: -447.451
Base-Backbone interact. energy: -2.740
local terms energy: -526.996161
where:
bonds (distance) C4'-P energy: -109.188
bonds (distance) P-C4' energy: -115.832
flat angles C4'-P-C4' energy: -100.871
flat angles P-C4'-P energy: -80.663
tors. eta vs tors. theta energy: -120.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1127.966160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.966160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.966160 (E_RNA)
where:
Base-Base interactions energy: -678.135
where: short stacking energy: -314.257
Base-Backbone interact. energy: -3.794
local terms energy: -446.037021
where:
bonds (distance) C4'-P energy: -115.221
bonds (distance) P-C4' energy: -113.022
flat angles C4'-P-C4' energy: -96.858
flat angles P-C4'-P energy: -61.068
tors. eta vs tors. theta energy: -59.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1107.154318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.154318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.154318 (E_RNA)
where:
Base-Base interactions energy: -700.748
where: short stacking energy: -311.153
Base-Backbone interact. energy: 0.253
local terms energy: -406.659740
where:
bonds (distance) C4'-P energy: -93.047
bonds (distance) P-C4' energy: -107.170
flat angles C4'-P-C4' energy: -91.031
flat angles P-C4'-P energy: -55.705
tors. eta vs tors. theta energy: -59.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -480.825045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.825045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.825045 (E_RNA)
where:
Base-Base interactions energy: -183.489
where: short stacking energy: -152.101
Base-Backbone interact. energy: -3.326
local terms energy: -294.009973
where:
bonds (distance) C4'-P energy: -107.747
bonds (distance) P-C4' energy: -85.924
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: 18.168
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: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2427.461108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.461108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.461108 (E_RNA)
where:
Base-Base interactions energy: -1717.661
where: short stacking energy: -675.204
Base-Backbone interact. energy: -0.462
local terms energy: -709.337607
where:
bonds (distance) C4'-P energy: -116.803
bonds (distance) P-C4' energy: -124.639
flat angles C4'-P-C4' energy: -152.258
flat angles P-C4'-P energy: -109.511
tors. eta vs tors. theta energy: -206.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2264.737869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.737869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.737869 (E_RNA)
where:
Base-Base interactions energy: -1601.034
where: short stacking energy: -633.800
Base-Backbone interact. energy: -0.907
local terms energy: -662.797307
where:
bonds (distance) C4'-P energy: -112.310
bonds (distance) P-C4' energy: -126.605
flat angles C4'-P-C4' energy: -144.348
flat angles P-C4'-P energy: -96.647
tors. eta vs tors. theta energy: -182.887
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2136.552295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.552295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.552295 (E_RNA)
where:
Base-Base interactions energy: -1525.846
where: short stacking energy: -591.707
Base-Backbone interact. energy: -2.295
local terms energy: -608.411636
where:
bonds (distance) C4'-P energy: -98.917
bonds (distance) P-C4' energy: -119.504
flat angles C4'-P-C4' energy: -131.138
flat angles P-C4'-P energy: -91.638
tors. eta vs tors. theta energy: -167.215
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: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2185.873155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.873155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.873155 (E_RNA)
where:
Base-Base interactions energy: -1546.049
where: short stacking energy: -615.000
Base-Backbone interact. energy: -3.042
local terms energy: -636.782453
where:
bonds (distance) C4'-P energy: -112.354
bonds (distance) P-C4' energy: -109.744
flat angles C4'-P-C4' energy: -131.960
flat angles P-C4'-P energy: -87.583
tors. eta vs tors. theta energy: -195.141
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: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1937.727643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.727643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.727643 (E_RNA)
where:
Base-Base interactions energy: -1343.089
where: short stacking energy: -555.570
Base-Backbone interact. energy: -0.119
local terms energy: -594.519936
where:
bonds (distance) C4'-P energy: -110.433
bonds (distance) P-C4' energy: -79.881
flat angles C4'-P-C4' energy: -136.848
flat angles P-C4'-P energy: -85.277
tors. eta vs tors. theta energy: -182.081
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: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1908.082657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.082657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.082657 (E_RNA)
where:
Base-Base interactions energy: -1326.803
where: short stacking energy: -527.996
Base-Backbone interact. energy: 0.058
local terms energy: -581.337405
where:
bonds (distance) C4'-P energy: -88.287
bonds (distance) P-C4' energy: -111.271
flat angles C4'-P-C4' energy: -120.966
flat angles P-C4'-P energy: -92.027
tors. eta vs tors. theta energy: -168.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1574.182382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.182382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.182382 (E_RNA)
where:
Base-Base interactions energy: -1058.852
where: short stacking energy: -442.742
Base-Backbone interact. energy: -1.763
local terms energy: -513.567248
where:
bonds (distance) C4'-P energy: -98.217
bonds (distance) P-C4' energy: -108.098
flat angles C4'-P-C4' energy: -112.189
flat angles P-C4'-P energy: -79.207
tors. eta vs tors. theta energy: -115.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1189.599971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.599971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.599971 (E_RNA)
where:
Base-Base interactions energy: -725.862
where: short stacking energy: -335.728
Base-Backbone interact. energy: -3.065
local terms energy: -460.672914
where:
bonds (distance) C4'-P energy: -99.851
bonds (distance) P-C4' energy: -98.347
flat angles C4'-P-C4' energy: -120.236
flat angles P-C4'-P energy: -62.842
tors. eta vs tors. theta energy: -79.396
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: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1017.768634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.768634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.768634 (E_RNA)
where:
Base-Base interactions energy: -619.676
where: short stacking energy: -291.165
Base-Backbone interact. energy: -1.810
local terms energy: -396.281994
where:
bonds (distance) C4'-P energy: -94.524
bonds (distance) P-C4' energy: -101.214
flat angles C4'-P-C4' energy: -90.454
flat angles P-C4'-P energy: -64.273
tors. eta vs tors. theta energy: -45.817
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: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -436.982318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.982318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.982318 (E_RNA)
where:
Base-Base interactions energy: -136.020
where: short stacking energy: -114.714
Base-Backbone interact. energy: -0.596
local terms energy: -300.367116
where:
bonds (distance) C4'-P energy: -92.371
bonds (distance) P-C4' energy: -97.310
flat angles C4'-P-C4' energy: -81.618
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: 22.403
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: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2432.789883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.789883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.789883 (E_RNA)
where:
Base-Base interactions energy: -1703.290
where: short stacking energy: -670.112
Base-Backbone interact. energy: -1.947
local terms energy: -727.553787
where:
bonds (distance) C4'-P energy: -129.465
bonds (distance) P-C4' energy: -129.533
flat angles C4'-P-C4' energy: -154.721
flat angles P-C4'-P energy: -109.061
tors. eta vs tors. theta energy: -204.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2294.751694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.751694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.751694 (E_RNA)
where:
Base-Base interactions energy: -1632.892
where: short stacking energy: -632.842
Base-Backbone interact. energy: 1.391
local terms energy: -663.249936
where:
bonds (distance) C4'-P energy: -117.648
bonds (distance) P-C4' energy: -126.176
flat angles C4'-P-C4' energy: -143.587
flat angles P-C4'-P energy: -93.791
tors. eta vs tors. theta energy: -182.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2219.040050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.040050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.040050 (E_RNA)
where:
Base-Base interactions energy: -1574.244
where: short stacking energy: -611.676
Base-Backbone interact. energy: -3.662
local terms energy: -641.133708
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -123.413
flat angles C4'-P-C4' energy: -131.511
flat angles P-C4'-P energy: -100.608
tors. eta vs tors. theta energy: -178.037
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: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2098.816497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.816497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.816497 (E_RNA)
where:
Base-Base interactions energy: -1481.105
where: short stacking energy: -573.987
Base-Backbone interact. energy: -3.485
local terms energy: -614.225886
where:
bonds (distance) C4'-P energy: -105.067
bonds (distance) P-C4' energy: -117.942
flat angles C4'-P-C4' energy: -133.227
flat angles P-C4'-P energy: -86.595
tors. eta vs tors. theta energy: -171.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1929.509210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.509210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.509210 (E_RNA)
where:
Base-Base interactions energy: -1317.360
where: short stacking energy: -526.764
Base-Backbone interact. energy: -0.496
local terms energy: -611.653043
where:
bonds (distance) C4'-P energy: -112.851
bonds (distance) P-C4' energy: -125.383
flat angles C4'-P-C4' energy: -127.672
flat angles P-C4'-P energy: -87.425
tors. eta vs tors. theta energy: -158.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1939.410624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.410624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.410624 (E_RNA)
where:
Base-Base interactions energy: -1361.396
where: short stacking energy: -553.448
Base-Backbone interact. energy: 3.748
local terms energy: -581.762683
where:
bonds (distance) C4'-P energy: -105.032
bonds (distance) P-C4' energy: -109.368
flat angles C4'-P-C4' energy: -109.753
flat angles P-C4'-P energy: -85.808
tors. eta vs tors. theta energy: -171.801
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: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1529.546637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.546637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.546637 (E_RNA)
where:
Base-Base interactions energy: -996.736
where: short stacking energy: -436.759
Base-Backbone interact. energy: -0.261
local terms energy: -532.550267
where:
bonds (distance) C4'-P energy: -89.324
bonds (distance) P-C4' energy: -118.750
flat angles C4'-P-C4' energy: -121.183
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -129.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1093.160070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.160070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.160070 (E_RNA)
where:
Base-Base interactions energy: -703.403
where: short stacking energy: -291.896
Base-Backbone interact. energy: 0.146
local terms energy: -389.903271
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -104.839
flat angles C4'-P-C4' energy: -91.245
flat angles P-C4'-P energy: -60.017
tors. eta vs tors. theta energy: -49.323
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: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1067.019289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.019289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.019289 (E_RNA)
where:
Base-Base interactions energy: -633.344
where: short stacking energy: -311.803
Base-Backbone interact. energy: 0.851
local terms energy: -434.526361
where:
bonds (distance) C4'-P energy: -102.275
bonds (distance) P-C4' energy: -116.250
flat angles C4'-P-C4' energy: -88.329
flat angles P-C4'-P energy: -71.173
tors. eta vs tors. theta energy: -56.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -467.951372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.951372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.951372 (E_RNA)
where:
Base-Base interactions energy: -179.516
where: short stacking energy: -110.022
Base-Backbone interact. energy: -3.008
local terms energy: -285.426759
where:
bonds (distance) C4'-P energy: -106.641
bonds (distance) P-C4' energy: -99.504
flat angles C4'-P-C4' energy: -76.647
flat angles P-C4'-P energy: -49.888
tors. eta vs tors. theta energy: 47.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2424.787572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.787572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.787572 (E_RNA)
where:
Base-Base interactions energy: -1706.316
where: short stacking energy: -682.341
Base-Backbone interact. energy: -3.794
local terms energy: -714.677667
where:
bonds (distance) C4'-P energy: -111.257
bonds (distance) P-C4' energy: -134.751
flat angles C4'-P-C4' energy: -152.046
flat angles P-C4'-P energy: -109.350
tors. eta vs tors. theta energy: -207.274
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: 363
Temperature: 0.950000
Total energy: -2272.067127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.067127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.067127 (E_RNA)
where:
Base-Base interactions energy: -1624.675
where: short stacking energy: -635.616
Base-Backbone interact. energy: 0.842
local terms energy: -648.234138
where:
bonds (distance) C4'-P energy: -108.915
bonds (distance) P-C4' energy: -113.675
flat angles C4'-P-C4' energy: -150.383
flat angles P-C4'-P energy: -93.109
tors. eta vs tors. theta energy: -182.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2219.876327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.876327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.876327 (E_RNA)
where:
Base-Base interactions energy: -1564.885
where: short stacking energy: -632.505
Base-Backbone interact. energy: -2.397
local terms energy: -652.594788
where:
bonds (distance) C4'-P energy: -110.174
bonds (distance) P-C4' energy: -123.697
flat angles C4'-P-C4' energy: -146.211
flat angles P-C4'-P energy: -83.476
tors. eta vs tors. theta energy: -189.037
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: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2092.988487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.988487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.988487 (E_RNA)
where:
Base-Base interactions energy: -1499.815
where: short stacking energy: -567.255
Base-Backbone interact. energy: 5.014
local terms energy: -598.186815
where:
bonds (distance) C4'-P energy: -101.239
bonds (distance) P-C4' energy: -126.684
flat angles C4'-P-C4' energy: -121.246
flat angles P-C4'-P energy: -79.053
tors. eta vs tors. theta energy: -169.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1925.699090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.699090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.699090 (E_RNA)
where:
Base-Base interactions energy: -1341.692
where: short stacking energy: -532.185
Base-Backbone interact. energy: -2.183
local terms energy: -581.823903
where:
bonds (distance) C4'-P energy: -103.096
bonds (distance) P-C4' energy: -104.635
flat angles C4'-P-C4' energy: -131.776
flat angles P-C4'-P energy: -84.244
tors. eta vs tors. theta energy: -158.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1935.093841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.093841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.093841 (E_RNA)
where:
Base-Base interactions energy: -1331.837
where: short stacking energy: -537.110
Base-Backbone interact. energy: -3.115
local terms energy: -600.141351
where:
bonds (distance) C4'-P energy: -94.235
bonds (distance) P-C4' energy: -120.982
flat angles C4'-P-C4' energy: -128.788
flat angles P-C4'-P energy: -81.180
tors. eta vs tors. theta energy: -174.956
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: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1525.528835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.528835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.528835 (E_RNA)
where:
Base-Base interactions energy: -997.182
where: short stacking energy: -398.759
Base-Backbone interact. energy: -0.081
local terms energy: -528.265939
where:
bonds (distance) C4'-P energy: -112.983
bonds (distance) P-C4' energy: -120.315
flat angles C4'-P-C4' energy: -114.812
flat angles P-C4'-P energy: -64.331
tors. eta vs tors. theta energy: -115.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1100.225029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.225029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.225029 (E_RNA)
where:
Base-Base interactions energy: -654.907
where: short stacking energy: -309.314
Base-Backbone interact. energy: 3.041
local terms energy: -448.359560
where:
bonds (distance) C4'-P energy: -100.022
bonds (distance) P-C4' energy: -101.449
flat angles C4'-P-C4' energy: -120.927
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -58.824
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: 363
Temperature: 1.300000
Total energy: -1032.169914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.169914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.169914 (E_RNA)
where:
Base-Base interactions energy: -664.789
where: short stacking energy: -292.638
Base-Backbone interact. energy: -0.817
local terms energy: -366.564033
where:
bonds (distance) C4'-P energy: -96.538
bonds (distance) P-C4' energy: -83.375
flat angles C4'-P-C4' energy: -95.532
flat angles P-C4'-P energy: -56.144
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: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -444.324080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.324080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.324080 (E_RNA)
where:
Base-Base interactions energy: -109.968
where: short stacking energy: -105.206
Base-Backbone interact. energy: -1.809
local terms energy: -332.547315
where:
bonds (distance) C4'-P energy: -115.491
bonds (distance) P-C4' energy: -111.043
flat angles C4'-P-C4' energy: -91.276
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: 28.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2440.741694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.741694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.741694 (E_RNA)
where:
Base-Base interactions energy: -1711.507
where: short stacking energy: -672.809
Base-Backbone interact. energy: -2.330
local terms energy: -726.904494
where:
bonds (distance) C4'-P energy: -120.898
bonds (distance) P-C4' energy: -137.979
flat angles C4'-P-C4' energy: -146.830
flat angles P-C4'-P energy: -117.387
tors. eta vs tors. theta energy: -203.810
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: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2272.303131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.303131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.303131 (E_RNA)
where:
Base-Base interactions energy: -1626.774
where: short stacking energy: -635.995
Base-Backbone interact. energy: 2.751
local terms energy: -648.280157
where:
bonds (distance) C4'-P energy: -113.614
bonds (distance) P-C4' energy: -118.189
flat angles C4'-P-C4' energy: -138.523
flat angles P-C4'-P energy: -99.590
tors. eta vs tors. theta energy: -178.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2242.371010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.371010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.371010 (E_RNA)
where:
Base-Base interactions energy: -1579.667
where: short stacking energy: -614.966
Base-Backbone interact. energy: -3.183
local terms energy: -659.520722
where:
bonds (distance) C4'-P energy: -121.424
bonds (distance) P-C4' energy: -110.436
flat angles C4'-P-C4' energy: -143.315
flat angles P-C4'-P energy: -94.979
tors. eta vs tors. theta energy: -189.366
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2115.172437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.172437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.172437 (E_RNA)
where:
Base-Base interactions energy: -1474.570
where: short stacking energy: -569.295
Base-Backbone interact. energy: -1.076
local terms energy: -639.526135
where:
bonds (distance) C4'-P energy: -123.121
bonds (distance) P-C4' energy: -112.165
flat angles C4'-P-C4' energy: -143.311
flat angles P-C4'-P energy: -87.641
tors. eta vs tors. theta energy: -173.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1949.920169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.920169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.920169 (E_RNA)
where:
Base-Base interactions energy: -1339.052
where: short stacking energy: -555.285
Base-Backbone interact. energy: -3.729
local terms energy: -607.139797
where:
bonds (distance) C4'-P energy: -114.285
bonds (distance) P-C4' energy: -113.443
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -86.130
tors. eta vs tors. theta energy: -172.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1918.223634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.223634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.223634 (E_RNA)
where:
Base-Base interactions energy: -1346.977
where: short stacking energy: -530.544
Base-Backbone interact. energy: 0.510
local terms energy: -571.756539
where:
bonds (distance) C4'-P energy: -98.806
bonds (distance) P-C4' energy: -104.218
flat angles C4'-P-C4' energy: -120.734
flat angles P-C4'-P energy: -86.954
tors. eta vs tors. theta energy: -161.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1558.715714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.715714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.715714 (E_RNA)
where:
Base-Base interactions energy: -1060.595
where: short stacking energy: -401.779
Base-Backbone interact. energy: 6.958
local terms energy: -505.079225
where:
bonds (distance) C4'-P energy: -95.363
bonds (distance) P-C4' energy: -96.962
flat angles C4'-P-C4' energy: -101.470
flat angles P-C4'-P energy: -93.353
tors. eta vs tors. theta energy: -117.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1098.596138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.596138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.596138 (E_RNA)
where:
Base-Base interactions energy: -661.856
where: short stacking energy: -290.113
Base-Backbone interact. energy: 0.839
local terms energy: -437.578546
where:
bonds (distance) C4'-P energy: -96.862
bonds (distance) P-C4' energy: -124.586
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -65.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1004.326814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.326814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.326814 (E_RNA)
where:
Base-Base interactions energy: -612.031
where: short stacking energy: -274.544
Base-Backbone interact. energy: 0.659
local terms energy: -392.954804
where:
bonds (distance) C4'-P energy: -78.783
bonds (distance) P-C4' energy: -113.952
flat angles C4'-P-C4' energy: -101.769
flat angles P-C4'-P energy: -69.117
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -452.320526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.320526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.320526 (E_RNA)
where:
Base-Base interactions energy: -134.836
where: short stacking energy: -125.759
Base-Backbone interact. energy: -2.105
local terms energy: -315.380333
where:
bonds (distance) C4'-P energy: -88.166
bonds (distance) P-C4' energy: -98.003
flat angles C4'-P-C4' energy: -91.305
flat angles P-C4'-P energy: -53.869
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: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2426.922251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.922251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.922251 (E_RNA)
where:
Base-Base interactions energy: -1714.503
where: short stacking energy: -670.854
Base-Backbone interact. energy: -1.932
local terms energy: -710.487301
where:
bonds (distance) C4'-P energy: -127.165
bonds (distance) P-C4' energy: -119.507
flat angles C4'-P-C4' energy: -146.806
flat angles P-C4'-P energy: -108.475
tors. eta vs tors. theta energy: -208.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2262.378744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.378744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.378744 (E_RNA)
where:
Base-Base interactions energy: -1624.229
where: short stacking energy: -627.157
Base-Backbone interact. energy: 5.726
local terms energy: -643.875762
where:
bonds (distance) C4'-P energy: -122.970
bonds (distance) P-C4' energy: -118.522
flat angles C4'-P-C4' energy: -142.820
flat angles P-C4'-P energy: -88.898
tors. eta vs tors. theta energy: -170.665
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: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2229.750045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.750045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.750045 (E_RNA)
where:
Base-Base interactions energy: -1574.438
where: short stacking energy: -589.228
Base-Backbone interact. energy: -2.655
local terms energy: -652.657538
where:
bonds (distance) C4'-P energy: -123.118
bonds (distance) P-C4' energy: -109.186
flat angles C4'-P-C4' energy: -139.997
flat angles P-C4'-P energy: -88.759
tors. eta vs tors. theta energy: -191.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2149.962025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.962025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.962025 (E_RNA)
where:
Base-Base interactions energy: -1548.758
where: short stacking energy: -588.391
Base-Backbone interact. energy: -6.079
local terms energy: -595.124590
where:
bonds (distance) C4'-P energy: -117.945
bonds (distance) P-C4' energy: -90.020
flat angles C4'-P-C4' energy: -121.921
flat angles P-C4'-P energy: -88.424
tors. eta vs tors. theta energy: -176.815
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: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1951.082375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.082375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.082375 (E_RNA)
where:
Base-Base interactions energy: -1356.229
where: short stacking energy: -529.960
Base-Backbone interact. energy: -0.051
local terms energy: -594.802833
where:
bonds (distance) C4'-P energy: -111.926
bonds (distance) P-C4' energy: -106.814
flat angles C4'-P-C4' energy: -134.384
flat angles P-C4'-P energy: -81.257
tors. eta vs tors. theta energy: -160.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1911.015233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.015233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.015233 (E_RNA)
where:
Base-Base interactions energy: -1333.237
where: short stacking energy: -553.558
Base-Backbone interact. energy: 0.562
local terms energy: -578.340244
where:
bonds (distance) C4'-P energy: -102.485
bonds (distance) P-C4' energy: -103.558
flat angles C4'-P-C4' energy: -117.635
flat angles P-C4'-P energy: -80.667
tors. eta vs tors. theta energy: -173.995
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: 365
Temperature: 1.200000
Total energy: -1541.888261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.888261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.888261 (E_RNA)
where:
Base-Base interactions energy: -1051.604
where: short stacking energy: -419.165
Base-Backbone interact. energy: -2.681
local terms energy: -487.602599
where:
bonds (distance) C4'-P energy: -94.303
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -117.069
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -107.476
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: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1172.479913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.479913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.479913 (E_RNA)
where:
Base-Base interactions energy: -711.812
where: short stacking energy: -324.000
Base-Backbone interact. energy: -1.913
local terms energy: -458.754871
where:
bonds (distance) C4'-P energy: -109.700
bonds (distance) P-C4' energy: -112.196
flat angles C4'-P-C4' energy: -117.555
flat angles P-C4'-P energy: -54.676
tors. eta vs tors. theta energy: -64.628
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: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1069.516520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.516520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.516520 (E_RNA)
where:
Base-Base interactions energy: -669.056
where: short stacking energy: -294.805
Base-Backbone interact. energy: -3.884
local terms energy: -396.576386
where:
bonds (distance) C4'-P energy: -98.987
bonds (distance) P-C4' energy: -86.205
flat angles C4'-P-C4' energy: -111.038
flat angles P-C4'-P energy: -52.415
tors. eta vs tors. theta energy: -47.931
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: 365
Temperature: 1.350000
Total energy: -452.506583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.506583 (E_RNA)
where:
Base-Base interactions energy: -153.571
where: short stacking energy: -97.684
Base-Backbone interact. energy: -4.003
local terms energy: -294.932381
where:
bonds (distance) C4'-P energy: -96.461
bonds (distance) P-C4' energy: -113.221
flat angles C4'-P-C4' energy: -82.837
flat angles P-C4'-P energy: -32.768
tors. eta vs tors. theta energy: 30.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2448.136464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.136464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.136464 (E_RNA)
where:
Base-Base interactions energy: -1757.709
where: short stacking energy: -685.943
Base-Backbone interact. energy: -1.844
local terms energy: -688.583060
where:
bonds (distance) C4'-P energy: -113.972
bonds (distance) P-C4' energy: -131.096
flat angles C4'-P-C4' energy: -144.338
flat angles P-C4'-P energy: -97.805
tors. eta vs tors. theta energy: -201.371
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: 366
Temperature: 0.950000
Total energy: -2211.350862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.350862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.350862 (E_RNA)
where:
Base-Base interactions energy: -1594.558
where: short stacking energy: -607.642
Base-Backbone interact. energy: -1.513
local terms energy: -615.279661
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -121.761
flat angles C4'-P-C4' energy: -131.940
flat angles P-C4'-P energy: -81.490
tors. eta vs tors. theta energy: -167.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2228.658380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.658380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.658380 (E_RNA)
where:
Base-Base interactions energy: -1573.407
where: short stacking energy: -614.580
Base-Backbone interact. energy: 4.058
local terms energy: -659.309610
where:
bonds (distance) C4'-P energy: -121.035
bonds (distance) P-C4' energy: -122.029
flat angles C4'-P-C4' energy: -137.711
flat angles P-C4'-P energy: -93.082
tors. eta vs tors. theta energy: -185.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2119.798390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.798390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.798390 (E_RNA)
where:
Base-Base interactions energy: -1494.972
where: short stacking energy: -563.140
Base-Backbone interact. energy: -2.427
local terms energy: -622.399865
where:
bonds (distance) C4'-P energy: -119.696
bonds (distance) P-C4' energy: -119.532
flat angles C4'-P-C4' energy: -140.750
flat angles P-C4'-P energy: -79.310
tors. eta vs tors. theta energy: -163.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1970.865816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.865816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.865816 (E_RNA)
where:
Base-Base interactions energy: -1361.842
where: short stacking energy: -560.441
Base-Backbone interact. energy: 0.910
local terms energy: -609.934426
where:
bonds (distance) C4'-P energy: -94.759
bonds (distance) P-C4' energy: -107.327
flat angles C4'-P-C4' energy: -150.637
flat angles P-C4'-P energy: -88.893
tors. eta vs tors. theta energy: -168.319
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: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1932.689000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.689000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.689000 (E_RNA)
where:
Base-Base interactions energy: -1393.409
where: short stacking energy: -551.935
Base-Backbone interact. energy: 0.986
local terms energy: -540.266020
where:
bonds (distance) C4'-P energy: -87.829
bonds (distance) P-C4' energy: -94.771
flat angles C4'-P-C4' energy: -125.782
flat angles P-C4'-P energy: -68.686
tors. eta vs tors. theta energy: -163.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1513.276033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.276033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.276033 (E_RNA)
where:
Base-Base interactions energy: -1017.091
where: short stacking energy: -403.965
Base-Backbone interact. energy: 7.006
local terms energy: -503.191244
where:
bonds (distance) C4'-P energy: -102.940
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -119.994
flat angles P-C4'-P energy: -74.742
tors. eta vs tors. theta energy: -105.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1131.705312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.705312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.705312 (E_RNA)
where:
Base-Base interactions energy: -678.520
where: short stacking energy: -300.581
Base-Backbone interact. energy: 1.923
local terms energy: -455.108180
where:
bonds (distance) C4'-P energy: -97.102
bonds (distance) P-C4' energy: -102.746
flat angles C4'-P-C4' energy: -116.761
flat angles P-C4'-P energy: -72.550
tors. eta vs tors. theta energy: -65.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1126.115009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.115009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.115009 (E_RNA)
where:
Base-Base interactions energy: -694.723
where: short stacking energy: -292.042
Base-Backbone interact. energy: -3.001
local terms energy: -428.390224
where:
bonds (distance) C4'-P energy: -107.053
bonds (distance) P-C4' energy: -87.420
flat angles C4'-P-C4' energy: -111.632
flat angles P-C4'-P energy: -74.298
tors. eta vs tors. theta energy: -47.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -441.731607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.731607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.731607 (E_RNA)
where:
Base-Base interactions energy: -134.583
where: short stacking energy: -117.105
Base-Backbone interact. energy: 7.781
local terms energy: -314.929444
where:
bonds (distance) C4'-P energy: -106.668
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -88.991
flat angles P-C4'-P energy: -46.656
tors. eta vs tors. theta energy: 33.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2429.618596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.618596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.618596 (E_RNA)
where:
Base-Base interactions energy: -1748.159
where: short stacking energy: -667.842
Base-Backbone interact. energy: -3.323
local terms energy: -678.136478
where:
bonds (distance) C4'-P energy: -127.113
bonds (distance) P-C4' energy: -117.879
flat angles C4'-P-C4' energy: -135.528
flat angles P-C4'-P energy: -94.273
tors. eta vs tors. theta energy: -203.343
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: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2254.031376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.031376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.031376 (E_RNA)
where:
Base-Base interactions energy: -1597.615
where: short stacking energy: -629.734
Base-Backbone interact. energy: -4.923
local terms energy: -651.493085
where:
bonds (distance) C4'-P energy: -114.609
bonds (distance) P-C4' energy: -116.938
flat angles C4'-P-C4' energy: -134.371
flat angles P-C4'-P energy: -90.848
tors. eta vs tors. theta energy: -194.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2206.690880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.690880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.690880 (E_RNA)
where:
Base-Base interactions energy: -1568.875
where: short stacking energy: -608.747
Base-Backbone interact. energy: 0.540
local terms energy: -638.355738
where:
bonds (distance) C4'-P energy: -114.708
bonds (distance) P-C4' energy: -111.385
flat angles C4'-P-C4' energy: -143.475
flat angles P-C4'-P energy: -95.407
tors. eta vs tors. theta energy: -173.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2127.388575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.388575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.388575 (E_RNA)
where:
Base-Base interactions energy: -1512.661
where: short stacking energy: -568.429
Base-Backbone interact. energy: 1.257
local terms energy: -615.984166
where:
bonds (distance) C4'-P energy: -112.920
bonds (distance) P-C4' energy: -112.894
flat angles C4'-P-C4' energy: -133.121
flat angles P-C4'-P energy: -88.104
tors. eta vs tors. theta energy: -168.945
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: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1978.786188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.786188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.786188 (E_RNA)
where:
Base-Base interactions energy: -1392.840
where: short stacking energy: -533.299
Base-Backbone interact. energy: 1.406
local terms energy: -587.351585
where:
bonds (distance) C4'-P energy: -100.039
bonds (distance) P-C4' energy: -113.611
flat angles C4'-P-C4' energy: -130.930
flat angles P-C4'-P energy: -78.965
tors. eta vs tors. theta energy: -163.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1952.516401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.516401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.516401 (E_RNA)
where:
Base-Base interactions energy: -1372.661
where: short stacking energy: -555.575
Base-Backbone interact. energy: -2.465
local terms energy: -577.390445
where:
bonds (distance) C4'-P energy: -113.966
bonds (distance) P-C4' energy: -102.767
flat angles C4'-P-C4' energy: -125.487
flat angles P-C4'-P energy: -79.143
tors. eta vs tors. theta energy: -156.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1531.118181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.118181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.118181 (E_RNA)
where:
Base-Base interactions energy: -1052.952
where: short stacking energy: -412.685
Base-Backbone interact. energy: 2.817
local terms energy: -480.982988
where:
bonds (distance) C4'-P energy: -101.708
bonds (distance) P-C4' energy: -103.919
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -66.580
tors. eta vs tors. theta energy: -111.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1152.070081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.070081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.070081 (E_RNA)
where:
Base-Base interactions energy: -716.835
where: short stacking energy: -302.980
Base-Backbone interact. energy: 3.439
local terms energy: -438.673656
where:
bonds (distance) C4'-P energy: -111.745
bonds (distance) P-C4' energy: -108.074
flat angles C4'-P-C4' energy: -106.461
flat angles P-C4'-P energy: -56.317
tors. eta vs tors. theta energy: -56.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1074.392418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.392418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.392418 (E_RNA)
where:
Base-Base interactions energy: -638.647
where: short stacking energy: -275.212
Base-Backbone interact. energy: -1.478
local terms energy: -434.267880
where:
bonds (distance) C4'-P energy: -107.943
bonds (distance) P-C4' energy: -128.020
flat angles C4'-P-C4' energy: -87.515
flat angles P-C4'-P energy: -70.378
tors. eta vs tors. theta energy: -40.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -479.774215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.774215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.774215 (E_RNA)
where:
Base-Base interactions energy: -157.460
where: short stacking energy: -126.648
Base-Backbone interact. energy: 2.157
local terms energy: -324.470966
where:
bonds (distance) C4'-P energy: -103.319
bonds (distance) P-C4' energy: -108.657
flat angles C4'-P-C4' energy: -91.306
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: 20.060
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: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2435.561960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.561960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.561960 (E_RNA)
where:
Base-Base interactions energy: -1723.887
where: short stacking energy: -673.095
Base-Backbone interact. energy: -0.732
local terms energy: -710.942800
where:
bonds (distance) C4'-P energy: -135.885
bonds (distance) P-C4' energy: -129.051
flat angles C4'-P-C4' energy: -153.427
flat angles P-C4'-P energy: -86.226
tors. eta vs tors. theta energy: -206.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2283.655879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.655879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.655879 (E_RNA)
where:
Base-Base interactions energy: -1614.020
where: short stacking energy: -631.825
Base-Backbone interact. energy: -2.551
local terms energy: -667.085264
where:
bonds (distance) C4'-P energy: -112.701
bonds (distance) P-C4' energy: -136.242
flat angles C4'-P-C4' energy: -120.912
flat angles P-C4'-P energy: -99.496
tors. eta vs tors. theta energy: -197.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2180.675984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.675984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.675984 (E_RNA)
where:
Base-Base interactions energy: -1555.305
where: short stacking energy: -612.926
Base-Backbone interact. energy: -2.257
local terms energy: -623.114432
where:
bonds (distance) C4'-P energy: -103.416
bonds (distance) P-C4' energy: -118.552
flat angles C4'-P-C4' energy: -136.666
flat angles P-C4'-P energy: -85.904
tors. eta vs tors. theta energy: -178.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2125.636453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.636453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.636453 (E_RNA)
where:
Base-Base interactions energy: -1510.387
where: short stacking energy: -575.742
Base-Backbone interact. energy: -1.964
local terms energy: -613.285250
where:
bonds (distance) C4'-P energy: -124.059
bonds (distance) P-C4' energy: -112.208
flat angles C4'-P-C4' energy: -126.338
flat angles P-C4'-P energy: -91.038
tors. eta vs tors. theta energy: -159.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1989.693148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.693148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.693148 (E_RNA)
where:
Base-Base interactions energy: -1384.180
where: short stacking energy: -549.183
Base-Backbone interact. energy: -1.758
local terms energy: -603.755608
where:
bonds (distance) C4'-P energy: -107.495
bonds (distance) P-C4' energy: -117.978
flat angles C4'-P-C4' energy: -119.174
flat angles P-C4'-P energy: -85.842
tors. eta vs tors. theta energy: -173.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1867.683829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.683829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.683829 (E_RNA)
where:
Base-Base interactions energy: -1268.487
where: short stacking energy: -496.442
Base-Backbone interact. energy: 0.211
local terms energy: -599.407793
where:
bonds (distance) C4'-P energy: -114.556
bonds (distance) P-C4' energy: -116.918
flat angles C4'-P-C4' energy: -126.575
flat angles P-C4'-P energy: -84.549
tors. eta vs tors. theta energy: -156.810
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: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1595.245276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.245276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.245276 (E_RNA)
where:
Base-Base interactions energy: -1058.977
where: short stacking energy: -423.950
Base-Backbone interact. energy: 0.010
local terms energy: -536.277580
where:
bonds (distance) C4'-P energy: -117.622
bonds (distance) P-C4' energy: -105.234
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -76.191
tors. eta vs tors. theta energy: -129.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1154.323703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.323703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.323703 (E_RNA)
where:
Base-Base interactions energy: -702.830
where: short stacking energy: -311.719
Base-Backbone interact. energy: -3.283
local terms energy: -448.211194
where:
bonds (distance) C4'-P energy: -96.263
bonds (distance) P-C4' energy: -108.434
flat angles C4'-P-C4' energy: -104.523
flat angles P-C4'-P energy: -77.283
tors. eta vs tors. theta energy: -61.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1062.496630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.496630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.496630 (E_RNA)
where:
Base-Base interactions energy: -648.263
where: short stacking energy: -308.810
Base-Backbone interact. energy: -1.290
local terms energy: -412.942811
where:
bonds (distance) C4'-P energy: -82.710
bonds (distance) P-C4' energy: -107.952
flat angles C4'-P-C4' energy: -103.160
flat angles P-C4'-P energy: -54.248
tors. eta vs tors. theta energy: -64.871
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: 368
Temperature: 1.350000
Total energy: -437.979337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.979337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.979337 (E_RNA)
where:
Base-Base interactions energy: -130.732
where: short stacking energy: -111.269
Base-Backbone interact. energy: 4.237
local terms energy: -311.484936
where:
bonds (distance) C4'-P energy: -88.279
bonds (distance) P-C4' energy: -111.820
flat angles C4'-P-C4' energy: -79.974
flat angles P-C4'-P energy: -52.327
tors. eta vs tors. theta energy: 20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2464.638956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.638956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.638956 (E_RNA)
where:
Base-Base interactions energy: -1745.558
where: short stacking energy: -685.877
Base-Backbone interact. energy: -2.066
local terms energy: -717.014602
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -125.666
flat angles C4'-P-C4' energy: -152.722
flat angles P-C4'-P energy: -94.694
tors. eta vs tors. theta energy: -210.215
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: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2296.086963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.086963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.086963 (E_RNA)
where:
Base-Base interactions energy: -1627.611
where: short stacking energy: -659.891
Base-Backbone interact. energy: 1.019
local terms energy: -669.494599
where:
bonds (distance) C4'-P energy: -112.014
bonds (distance) P-C4' energy: -129.409
flat angles C4'-P-C4' energy: -138.847
flat angles P-C4'-P energy: -90.623
tors. eta vs tors. theta energy: -198.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2190.177565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.177565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.177565 (E_RNA)
where:
Base-Base interactions energy: -1535.611
where: short stacking energy: -610.878
Base-Backbone interact. energy: 1.580
local terms energy: -656.147313
where:
bonds (distance) C4'-P energy: -105.541
bonds (distance) P-C4' energy: -128.707
flat angles C4'-P-C4' energy: -139.969
flat angles P-C4'-P energy: -94.931
tors. eta vs tors. theta energy: -187.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2085.564283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.564283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.564283 (E_RNA)
where:
Base-Base interactions energy: -1466.044
where: short stacking energy: -563.235
Base-Backbone interact. energy: -1.729
local terms energy: -617.790837
where:
bonds (distance) C4'-P energy: -117.502
bonds (distance) P-C4' energy: -112.128
flat angles C4'-P-C4' energy: -130.578
flat angles P-C4'-P energy: -92.708
tors. eta vs tors. theta energy: -164.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1992.673412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.673412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.673412 (E_RNA)
where:
Base-Base interactions energy: -1374.015
where: short stacking energy: -567.246
Base-Backbone interact. energy: 0.825
local terms energy: -619.483286
where:
bonds (distance) C4'-P energy: -108.154
bonds (distance) P-C4' energy: -119.338
flat angles C4'-P-C4' energy: -127.447
flat angles P-C4'-P energy: -90.566
tors. eta vs tors. theta energy: -173.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1880.001699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.001699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.001699 (E_RNA)
where:
Base-Base interactions energy: -1284.853
where: short stacking energy: -482.041
Base-Backbone interact. energy: -3.033
local terms energy: -592.115792
where:
bonds (distance) C4'-P energy: -114.398
bonds (distance) P-C4' energy: -97.076
flat angles C4'-P-C4' energy: -139.766
flat angles P-C4'-P energy: -97.546
tors. eta vs tors. theta energy: -143.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1572.656453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.656453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.656453 (E_RNA)
where:
Base-Base interactions energy: -1081.514
where: short stacking energy: -454.584
Base-Backbone interact. energy: 4.266
local terms energy: -495.408874
where:
bonds (distance) C4'-P energy: -93.951
bonds (distance) P-C4' energy: -93.465
flat angles C4'-P-C4' energy: -108.618
flat angles P-C4'-P energy: -72.215
tors. eta vs tors. theta energy: -127.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1161.371734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.371734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.371734 (E_RNA)
where:
Base-Base interactions energy: -725.285
where: short stacking energy: -321.196
Base-Backbone interact. energy: -1.227
local terms energy: -434.860313
where:
bonds (distance) C4'-P energy: -90.685
bonds (distance) P-C4' energy: -115.967
flat angles C4'-P-C4' energy: -113.961
flat angles P-C4'-P energy: -53.354
tors. eta vs tors. theta energy: -60.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1066.218462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.218462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.218462 (E_RNA)
where:
Base-Base interactions energy: -641.092
where: short stacking energy: -286.543
Base-Backbone interact. energy: -2.420
local terms energy: -422.706945
where:
bonds (distance) C4'-P energy: -104.363
bonds (distance) P-C4' energy: -108.431
flat angles C4'-P-C4' energy: -96.003
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -65.239
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: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -442.208766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.208766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.208766 (E_RNA)
where:
Base-Base interactions energy: -117.422
where: short stacking energy: -96.570
Base-Backbone interact. energy: -0.222
local terms energy: -324.564291
where:
bonds (distance) C4'-P energy: -116.866
bonds (distance) P-C4' energy: -103.113
flat angles C4'-P-C4' energy: -87.089
flat angles P-C4'-P energy: -51.894
tors. eta vs tors. theta energy: 34.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2458.251918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.251918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.251918 (E_RNA)
where:
Base-Base interactions energy: -1748.339
where: short stacking energy: -674.997
Base-Backbone interact. energy: -1.464
local terms energy: -708.448369
where:
bonds (distance) C4'-P energy: -125.954
bonds (distance) P-C4' energy: -129.349
flat angles C4'-P-C4' energy: -142.666
flat angles P-C4'-P energy: -100.124
tors. eta vs tors. theta energy: -210.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2307.048249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.048249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.048249 (E_RNA)
where:
Base-Base interactions energy: -1638.164
where: short stacking energy: -645.298
Base-Backbone interact. energy: 1.980
local terms energy: -670.863958
where:
bonds (distance) C4'-P energy: -115.799
bonds (distance) P-C4' energy: -124.131
flat angles C4'-P-C4' energy: -129.711
flat angles P-C4'-P energy: -105.923
tors. eta vs tors. theta energy: -195.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2175.866158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.866158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.866158 (E_RNA)
where:
Base-Base interactions energy: -1532.993
where: short stacking energy: -598.456
Base-Backbone interact. energy: 1.828
local terms energy: -644.701176
where:
bonds (distance) C4'-P energy: -122.319
bonds (distance) P-C4' energy: -103.434
flat angles C4'-P-C4' energy: -149.119
flat angles P-C4'-P energy: -96.614
tors. eta vs tors. theta energy: -173.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2090.560930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.560930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.560930 (E_RNA)
where:
Base-Base interactions energy: -1498.526
where: short stacking energy: -557.165
Base-Backbone interact. energy: 1.841
local terms energy: -593.875135
where:
bonds (distance) C4'-P energy: -96.162
bonds (distance) P-C4' energy: -115.060
flat angles C4'-P-C4' energy: -130.048
flat angles P-C4'-P energy: -86.094
tors. eta vs tors. theta energy: -166.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1946.612028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.612028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.612028 (E_RNA)
where:
Base-Base interactions energy: -1327.779
where: short stacking energy: -543.230
Base-Backbone interact. energy: -1.301
local terms energy: -617.532271
where:
bonds (distance) C4'-P energy: -111.437
bonds (distance) P-C4' energy: -117.426
flat angles C4'-P-C4' energy: -123.674
flat angles P-C4'-P energy: -93.434
tors. eta vs tors. theta energy: -171.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1837.841599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.841599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.841599 (E_RNA)
where:
Base-Base interactions energy: -1265.703
where: short stacking energy: -501.123
Base-Backbone interact. energy: -0.825
local terms energy: -571.313893
where:
bonds (distance) C4'-P energy: -98.632
bonds (distance) P-C4' energy: -102.554
flat angles C4'-P-C4' energy: -128.397
flat angles P-C4'-P energy: -80.015
tors. eta vs tors. theta energy: -161.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1582.246134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.246134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.246134 (E_RNA)
where:
Base-Base interactions energy: -1045.733
where: short stacking energy: -445.511
Base-Backbone interact. energy: -1.593
local terms energy: -534.920481
where:
bonds (distance) C4'-P energy: -103.133
bonds (distance) P-C4' energy: -111.594
flat angles C4'-P-C4' energy: -127.990
flat angles P-C4'-P energy: -66.689
tors. eta vs tors. theta energy: -125.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1156.781623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.781623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.781623 (E_RNA)
where:
Base-Base interactions energy: -704.493
where: short stacking energy: -309.354
Base-Backbone interact. energy: -2.830
local terms energy: -449.458632
where:
bonds (distance) C4'-P energy: -104.879
bonds (distance) P-C4' energy: -109.373
flat angles C4'-P-C4' energy: -104.757
flat angles P-C4'-P energy: -53.995
tors. eta vs tors. theta energy: -76.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1113.271005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.271005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.271005 (E_RNA)
where:
Base-Base interactions energy: -688.937
where: short stacking energy: -313.692
Base-Backbone interact. energy: 0.552
local terms energy: -424.886353
where:
bonds (distance) C4'-P energy: -104.471
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -100.080
flat angles P-C4'-P energy: -47.221
tors. eta vs tors. theta energy: -64.916
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: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -493.151133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.151133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.151133 (E_RNA)
where:
Base-Base interactions energy: -191.382
where: short stacking energy: -141.214
Base-Backbone interact. energy: 5.325
local terms energy: -307.094887
where:
bonds (distance) C4'-P energy: -101.683
bonds (distance) P-C4' energy: -105.567
flat angles C4'-P-C4' energy: -90.869
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: 27.604
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: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2464.918128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.918128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.918128 (E_RNA)
where:
Base-Base interactions energy: -1761.541
where: short stacking energy: -690.871
Base-Backbone interact. energy: -2.305
local terms energy: -701.071977
where:
bonds (distance) C4'-P energy: -112.105
bonds (distance) P-C4' energy: -124.019
flat angles C4'-P-C4' energy: -148.093
flat angles P-C4'-P energy: -106.907
tors. eta vs tors. theta energy: -209.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2280.116886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.116886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.116886 (E_RNA)
where:
Base-Base interactions energy: -1595.556
where: short stacking energy: -628.212
Base-Backbone interact. energy: -2.854
local terms energy: -681.707060
where:
bonds (distance) C4'-P energy: -122.433
bonds (distance) P-C4' energy: -130.998
flat angles C4'-P-C4' energy: -139.172
flat angles P-C4'-P energy: -102.569
tors. eta vs tors. theta energy: -186.535
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: 371
Temperature: 1.000000
Total energy: -2187.736503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.736503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.736503 (E_RNA)
where:
Base-Base interactions energy: -1549.354
where: short stacking energy: -593.588
Base-Backbone interact. energy: -0.305
local terms energy: -638.078141
where:
bonds (distance) C4'-P energy: -99.613
bonds (distance) P-C4' energy: -129.691
flat angles C4'-P-C4' energy: -144.080
flat angles P-C4'-P energy: -88.702
tors. eta vs tors. theta energy: -175.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2084.309010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.309010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.309010 (E_RNA)
where:
Base-Base interactions energy: -1459.561
where: short stacking energy: -590.692
Base-Backbone interact. energy: -3.255
local terms energy: -621.492518
where:
bonds (distance) C4'-P energy: -115.250
bonds (distance) P-C4' energy: -107.779
flat angles C4'-P-C4' energy: -134.670
flat angles P-C4'-P energy: -78.845
tors. eta vs tors. theta energy: -184.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2040.692363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.692363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.692363 (E_RNA)
where:
Base-Base interactions energy: -1439.169
where: short stacking energy: -552.339
Base-Backbone interact. energy: -1.295
local terms energy: -600.229288
where:
bonds (distance) C4'-P energy: -115.699
bonds (distance) P-C4' energy: -120.613
flat angles C4'-P-C4' energy: -131.561
flat angles P-C4'-P energy: -72.048
tors. eta vs tors. theta energy: -160.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1836.651052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.651052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.651052 (E_RNA)
where:
Base-Base interactions energy: -1266.676
where: short stacking energy: -506.256
Base-Backbone interact. energy: 1.815
local terms energy: -571.789999
where:
bonds (distance) C4'-P energy: -92.255
bonds (distance) P-C4' energy: -112.744
flat angles C4'-P-C4' energy: -119.945
flat angles P-C4'-P energy: -89.655
tors. eta vs tors. theta energy: -157.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1658.505931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.505931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.505931 (E_RNA)
where:
Base-Base interactions energy: -1121.113
where: short stacking energy: -448.748
Base-Backbone interact. energy: -2.405
local terms energy: -534.988276
where:
bonds (distance) C4'-P energy: -94.235
bonds (distance) P-C4' energy: -99.216
flat angles C4'-P-C4' energy: -129.684
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -134.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1128.167303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.167303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.167303 (E_RNA)
where:
Base-Base interactions energy: -651.057
where: short stacking energy: -297.894
Base-Backbone interact. energy: -2.142
local terms energy: -474.968272
where:
bonds (distance) C4'-P energy: -102.581
bonds (distance) P-C4' energy: -115.599
flat angles C4'-P-C4' energy: -113.364
flat angles P-C4'-P energy: -74.783
tors. eta vs tors. theta energy: -68.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1044.685169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.685169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.685169 (E_RNA)
where:
Base-Base interactions energy: -636.212
where: short stacking energy: -290.759
Base-Backbone interact. energy: 1.449
local terms energy: -409.922202
where:
bonds (distance) C4'-P energy: -95.749
bonds (distance) P-C4' energy: -114.682
flat angles C4'-P-C4' energy: -96.351
flat angles P-C4'-P energy: -57.233
tors. eta vs tors. theta energy: -45.907
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: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -438.451103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.451103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.451103 (E_RNA)
where:
Base-Base interactions energy: -126.775
where: short stacking energy: -98.599
Base-Backbone interact. energy: 3.347
local terms energy: -315.022820
where:
bonds (distance) C4'-P energy: -104.818
bonds (distance) P-C4' energy: -93.729
flat angles C4'-P-C4' energy: -92.452
flat angles P-C4'-P energy: -62.732
tors. eta vs tors. theta energy: 38.708
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: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2466.749730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.749730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.749730 (E_RNA)
where:
Base-Base interactions energy: -1740.032
where: short stacking energy: -675.529
Base-Backbone interact. energy: -2.608
local terms energy: -724.110655
where:
bonds (distance) C4'-P energy: -137.156
bonds (distance) P-C4' energy: -130.775
flat angles C4'-P-C4' energy: -143.230
flat angles P-C4'-P energy: -100.012
tors. eta vs tors. theta energy: -212.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2296.083765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.083765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.083765 (E_RNA)
where:
Base-Base interactions energy: -1589.672
where: short stacking energy: -642.260
Base-Backbone interact. energy: -2.945
local terms energy: -703.466830
where:
bonds (distance) C4'-P energy: -123.338
bonds (distance) P-C4' energy: -141.041
flat angles C4'-P-C4' energy: -145.474
flat angles P-C4'-P energy: -99.263
tors. eta vs tors. theta energy: -194.351
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: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2184.177094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.177094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.177094 (E_RNA)
where:
Base-Base interactions energy: -1547.482
where: short stacking energy: -612.446
Base-Backbone interact. energy: -3.430
local terms energy: -633.265159
where:
bonds (distance) C4'-P energy: -116.501
bonds (distance) P-C4' energy: -125.655
flat angles C4'-P-C4' energy: -132.274
flat angles P-C4'-P energy: -82.651
tors. eta vs tors. theta energy: -176.184
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: 372
Temperature: 1.050000
Total energy: -2018.268746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.268746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.268746 (E_RNA)
where:
Base-Base interactions energy: -1422.098
where: short stacking energy: -561.101
Base-Backbone interact. energy: 0.598
local terms energy: -596.767946
where:
bonds (distance) C4'-P energy: -103.223
bonds (distance) P-C4' energy: -108.414
flat angles C4'-P-C4' energy: -131.982
flat angles P-C4'-P energy: -83.565
tors. eta vs tors. theta energy: -169.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1986.037844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.037844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.037844 (E_RNA)
where:
Base-Base interactions energy: -1386.652
where: short stacking energy: -533.312
Base-Backbone interact. energy: -0.662
local terms energy: -598.723570
where:
bonds (distance) C4'-P energy: -117.831
bonds (distance) P-C4' energy: -122.282
flat angles C4'-P-C4' energy: -117.413
flat angles P-C4'-P energy: -74.276
tors. eta vs tors. theta energy: -166.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1829.986356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.986356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.986356 (E_RNA)
where:
Base-Base interactions energy: -1247.454
where: short stacking energy: -490.490
Base-Backbone interact. energy: 0.013
local terms energy: -582.545450
where:
bonds (distance) C4'-P energy: -108.246
bonds (distance) P-C4' energy: -118.440
flat angles C4'-P-C4' energy: -126.300
flat angles P-C4'-P energy: -79.850
tors. eta vs tors. theta energy: -149.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1677.129317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.129317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.129317 (E_RNA)
where:
Base-Base interactions energy: -1124.196
where: short stacking energy: -468.493
Base-Backbone interact. energy: -0.171
local terms energy: -552.761810
where:
bonds (distance) C4'-P energy: -118.035
bonds (distance) P-C4' energy: -110.245
flat angles C4'-P-C4' energy: -123.044
flat angles P-C4'-P energy: -71.029
tors. eta vs tors. theta energy: -130.410
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: 372
Temperature: 1.250000
Total energy: -1131.253196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.253196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.253196 (E_RNA)
where:
Base-Base interactions energy: -655.452
where: short stacking energy: -292.992
Base-Backbone interact. energy: -2.114
local terms energy: -473.687462
where:
bonds (distance) C4'-P energy: -117.762
bonds (distance) P-C4' energy: -116.129
flat angles C4'-P-C4' energy: -111.612
flat angles P-C4'-P energy: -74.284
tors. eta vs tors. theta energy: -53.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1068.951715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.951715 (E_RNA)
where:
Base-Base interactions energy: -665.788
where: short stacking energy: -305.355
Base-Backbone interact. energy: -2.111
local terms energy: -401.053466
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -109.317
flat angles C4'-P-C4' energy: -112.458
flat angles P-C4'-P energy: -61.008
tors. eta vs tors. theta energy: -54.182
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: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -438.733636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.733636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.733636 (E_RNA)
where:
Base-Base interactions energy: -122.349
where: short stacking energy: -105.209
Base-Backbone interact. energy: 1.616
local terms energy: -318.000499
where:
bonds (distance) C4'-P energy: -108.005
bonds (distance) P-C4' energy: -111.130
flat angles C4'-P-C4' energy: -78.887
flat angles P-C4'-P energy: -58.877
tors. eta vs tors. theta energy: 38.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2473.420749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.420749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.420749 (E_RNA)
where:
Base-Base interactions energy: -1751.969
where: short stacking energy: -694.850
Base-Backbone interact. energy: -2.927
local terms energy: -718.524097
where:
bonds (distance) C4'-P energy: -116.276
bonds (distance) P-C4' energy: -131.444
flat angles C4'-P-C4' energy: -152.038
flat angles P-C4'-P energy: -108.568
tors. eta vs tors. theta energy: -210.198
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: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2306.844516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.844516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.844516 (E_RNA)
where:
Base-Base interactions energy: -1617.269
where: short stacking energy: -640.973
Base-Backbone interact. energy: -3.286
local terms energy: -686.288865
where:
bonds (distance) C4'-P energy: -123.869
bonds (distance) P-C4' energy: -115.830
flat angles C4'-P-C4' energy: -153.909
flat angles P-C4'-P energy: -97.994
tors. eta vs tors. theta energy: -194.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2204.044043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.044043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.044043 (E_RNA)
where:
Base-Base interactions energy: -1567.950
where: short stacking energy: -606.045
Base-Backbone interact. energy: 1.504
local terms energy: -637.598247
where:
bonds (distance) C4'-P energy: -106.936
bonds (distance) P-C4' energy: -115.977
flat angles C4'-P-C4' energy: -138.308
flat angles P-C4'-P energy: -90.864
tors. eta vs tors. theta energy: -185.513
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: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2077.537260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.537260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.537260 (E_RNA)
where:
Base-Base interactions energy: -1447.024
where: short stacking energy: -599.821
Base-Backbone interact. energy: -1.770
local terms energy: -628.743736
where:
bonds (distance) C4'-P energy: -117.359
bonds (distance) P-C4' energy: -105.334
flat angles C4'-P-C4' energy: -130.971
flat angles P-C4'-P energy: -94.920
tors. eta vs tors. theta energy: -180.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2009.611413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.611413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.611413 (E_RNA)
where:
Base-Base interactions energy: -1417.851
where: short stacking energy: -542.463
Base-Backbone interact. energy: 3.726
local terms energy: -595.486259
where:
bonds (distance) C4'-P energy: -110.232
bonds (distance) P-C4' energy: -112.998
flat angles C4'-P-C4' energy: -132.394
flat angles P-C4'-P energy: -79.139
tors. eta vs tors. theta energy: -160.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1870.898724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.898724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.898724 (E_RNA)
where:
Base-Base interactions energy: -1284.023
where: short stacking energy: -514.309
Base-Backbone interact. energy: 1.984
local terms energy: -588.860110
where:
bonds (distance) C4'-P energy: -102.377
bonds (distance) P-C4' energy: -117.744
flat angles C4'-P-C4' energy: -129.625
flat angles P-C4'-P energy: -89.907
tors. eta vs tors. theta energy: -149.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1685.174744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.174744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.174744 (E_RNA)
where:
Base-Base interactions energy: -1176.370
where: short stacking energy: -455.726
Base-Backbone interact. energy: -0.731
local terms energy: -508.073226
where:
bonds (distance) C4'-P energy: -96.364
bonds (distance) P-C4' energy: -116.171
flat angles C4'-P-C4' energy: -103.549
flat angles P-C4'-P energy: -68.846
tors. eta vs tors. theta energy: -123.144
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: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1084.934360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.934360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.934360 (E_RNA)
where:
Base-Base interactions energy: -632.781
where: short stacking energy: -288.832
Base-Backbone interact. energy: -2.857
local terms energy: -449.296785
where:
bonds (distance) C4'-P energy: -101.324
bonds (distance) P-C4' energy: -119.345
flat angles C4'-P-C4' energy: -116.461
flat angles P-C4'-P energy: -57.102
tors. eta vs tors. theta energy: -55.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1082.723321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.723321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.723321 (E_RNA)
where:
Base-Base interactions energy: -640.674
where: short stacking energy: -269.517
Base-Backbone interact. energy: 5.655
local terms energy: -447.704144
where:
bonds (distance) C4'-P energy: -80.509
bonds (distance) P-C4' energy: -124.692
flat angles C4'-P-C4' energy: -119.740
flat angles P-C4'-P energy: -71.763
tors. eta vs tors. theta energy: -51.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -466.971635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.971635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.971635 (E_RNA)
where:
Base-Base interactions energy: -142.089
where: short stacking energy: -85.589
Base-Backbone interact. energy: 1.746
local terms energy: -326.628653
where:
bonds (distance) C4'-P energy: -99.441
bonds (distance) P-C4' energy: -101.841
flat angles C4'-P-C4' energy: -81.920
flat angles P-C4'-P energy: -59.456
tors. eta vs tors. theta energy: 16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2472.044149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.044149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.044149 (E_RNA)
where:
Base-Base interactions energy: -1727.842
where: short stacking energy: -686.664
Base-Backbone interact. energy: -3.234
local terms energy: -740.967920
where:
bonds (distance) C4'-P energy: -134.946
bonds (distance) P-C4' energy: -128.319
flat angles C4'-P-C4' energy: -156.541
flat angles P-C4'-P energy: -105.729
tors. eta vs tors. theta energy: -215.433
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: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2282.851703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.851703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.851703 (E_RNA)
where:
Base-Base interactions energy: -1607.170
where: short stacking energy: -631.400
Base-Backbone interact. energy: -1.521
local terms energy: -674.160616
where:
bonds (distance) C4'-P energy: -115.377
bonds (distance) P-C4' energy: -130.918
flat angles C4'-P-C4' energy: -140.048
flat angles P-C4'-P energy: -101.941
tors. eta vs tors. theta energy: -185.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2218.792905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.792905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.792905 (E_RNA)
where:
Base-Base interactions energy: -1581.361
where: short stacking energy: -621.623
Base-Backbone interact. energy: -0.806
local terms energy: -636.625803
where:
bonds (distance) C4'-P energy: -125.072
bonds (distance) P-C4' energy: -105.696
flat angles C4'-P-C4' energy: -138.927
flat angles P-C4'-P energy: -88.095
tors. eta vs tors. theta energy: -178.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2086.467988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.467988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.467988 (E_RNA)
where:
Base-Base interactions energy: -1445.794
where: short stacking energy: -602.102
Base-Backbone interact. energy: 2.450
local terms energy: -643.123601
where:
bonds (distance) C4'-P energy: -115.672
bonds (distance) P-C4' energy: -110.712
flat angles C4'-P-C4' energy: -141.451
flat angles P-C4'-P energy: -91.251
tors. eta vs tors. theta energy: -184.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2004.831553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.831553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.831553 (E_RNA)
where:
Base-Base interactions energy: -1414.379
where: short stacking energy: -521.835
Base-Backbone interact. energy: 0.136
local terms energy: -590.588241
where:
bonds (distance) C4'-P energy: -103.446
bonds (distance) P-C4' energy: -123.991
flat angles C4'-P-C4' energy: -109.318
flat angles P-C4'-P energy: -84.732
tors. eta vs tors. theta energy: -169.102
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: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1890.826923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.826923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.826923 (E_RNA)
where:
Base-Base interactions energy: -1312.719
where: short stacking energy: -524.946
Base-Backbone interact. energy: -0.264
local terms energy: -577.843261
where:
bonds (distance) C4'-P energy: -102.353
bonds (distance) P-C4' energy: -99.450
flat angles C4'-P-C4' energy: -124.009
flat angles P-C4'-P energy: -93.728
tors. eta vs tors. theta energy: -158.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1599.606126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.606126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.606126 (E_RNA)
where:
Base-Base interactions energy: -1100.734
where: short stacking energy: -440.126
Base-Backbone interact. energy: 3.047
local terms energy: -501.919326
where:
bonds (distance) C4'-P energy: -102.613
bonds (distance) P-C4' energy: -89.022
flat angles C4'-P-C4' energy: -115.499
flat angles P-C4'-P energy: -75.671
tors. eta vs tors. theta energy: -119.113
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: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1094.166719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.166719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.166719 (E_RNA)
where:
Base-Base interactions energy: -669.663
where: short stacking energy: -320.109
Base-Backbone interact. energy: -1.642
local terms energy: -422.862273
where:
bonds (distance) C4'-P energy: -90.302
bonds (distance) P-C4' energy: -111.836
flat angles C4'-P-C4' energy: -95.122
flat angles P-C4'-P energy: -65.543
tors. eta vs tors. theta energy: -60.060
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: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1000.427919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.427919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.427919 (E_RNA)
where:
Base-Base interactions energy: -577.646
where: short stacking energy: -276.040
Base-Backbone interact. energy: -2.755
local terms energy: -420.027029
where:
bonds (distance) C4'-P energy: -104.077
bonds (distance) P-C4' energy: -119.754
flat angles C4'-P-C4' energy: -95.129
flat angles P-C4'-P energy: -58.422
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -454.875368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.875368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.875368 (E_RNA)
where:
Base-Base interactions energy: -143.726
where: short stacking energy: -112.540
Base-Backbone interact. energy: -1.598
local terms energy: -309.551446
where:
bonds (distance) C4'-P energy: -103.280
bonds (distance) P-C4' energy: -113.157
flat angles C4'-P-C4' energy: -75.806
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: 26.402
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: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2496.831019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.831019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.831019 (E_RNA)
where:
Base-Base interactions energy: -1765.056
where: short stacking energy: -698.787
Base-Backbone interact. energy: -0.734
local terms energy: -731.041463
where:
bonds (distance) C4'-P energy: -123.626
bonds (distance) P-C4' energy: -127.928
flat angles C4'-P-C4' energy: -151.086
flat angles P-C4'-P energy: -109.149
tors. eta vs tors. theta energy: -219.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2295.248398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.248398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.248398 (E_RNA)
where:
Base-Base interactions energy: -1606.260
where: short stacking energy: -625.317
Base-Backbone interact. energy: -2.641
local terms energy: -686.346818
where:
bonds (distance) C4'-P energy: -113.322
bonds (distance) P-C4' energy: -136.424
flat angles C4'-P-C4' energy: -143.987
flat angles P-C4'-P energy: -101.267
tors. eta vs tors. theta energy: -191.346
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: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2192.329073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.329073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.329073 (E_RNA)
where:
Base-Base interactions energy: -1551.189
where: short stacking energy: -610.554
Base-Backbone interact. energy: -0.524
local terms energy: -640.616119
where:
bonds (distance) C4'-P energy: -115.441
bonds (distance) P-C4' energy: -120.891
flat angles C4'-P-C4' energy: -142.984
flat angles P-C4'-P energy: -90.850
tors. eta vs tors. theta energy: -170.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2051.052405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.052405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.052405 (E_RNA)
where:
Base-Base interactions energy: -1445.089
where: short stacking energy: -583.756
Base-Backbone interact. energy: -1.224
local terms energy: -604.739142
where:
bonds (distance) C4'-P energy: -117.945
bonds (distance) P-C4' energy: -116.474
flat angles C4'-P-C4' energy: -127.980
flat angles P-C4'-P energy: -76.072
tors. eta vs tors. theta energy: -166.269
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: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2005.372541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.372541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.372541 (E_RNA)
where:
Base-Base interactions energy: -1436.610
where: short stacking energy: -558.303
Base-Backbone interact. energy: 0.983
local terms energy: -569.745729
where:
bonds (distance) C4'-P energy: -111.045
bonds (distance) P-C4' energy: -103.817
flat angles C4'-P-C4' energy: -117.135
flat angles P-C4'-P energy: -76.975
tors. eta vs tors. theta energy: -160.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1915.723551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.723551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.723551 (E_RNA)
where:
Base-Base interactions energy: -1297.029
where: short stacking energy: -532.269
Base-Backbone interact. energy: 0.508
local terms energy: -619.203331
where:
bonds (distance) C4'-P energy: -112.772
bonds (distance) P-C4' energy: -113.141
flat angles C4'-P-C4' energy: -134.493
flat angles P-C4'-P energy: -89.809
tors. eta vs tors. theta energy: -168.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1640.253262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.253262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.253262 (E_RNA)
where:
Base-Base interactions energy: -1084.700
where: short stacking energy: -433.446
Base-Backbone interact. energy: -3.141
local terms energy: -552.412707
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -112.590
flat angles C4'-P-C4' energy: -104.520
flat angles P-C4'-P energy: -86.048
tors. eta vs tors. theta energy: -138.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1131.779918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.779918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.779918 (E_RNA)
where:
Base-Base interactions energy: -697.238
where: short stacking energy: -311.488
Base-Backbone interact. energy: -4.933
local terms energy: -429.608558
where:
bonds (distance) C4'-P energy: -70.196
bonds (distance) P-C4' energy: -124.507
flat angles C4'-P-C4' energy: -111.664
flat angles P-C4'-P energy: -69.066
tors. eta vs tors. theta energy: -54.176
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: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1055.391323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.391323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.391323 (E_RNA)
where:
Base-Base interactions energy: -634.097
where: short stacking energy: -279.711
Base-Backbone interact. energy: -1.378
local terms energy: -419.915642
where:
bonds (distance) C4'-P energy: -102.846
bonds (distance) P-C4' energy: -98.950
flat angles C4'-P-C4' energy: -95.233
flat angles P-C4'-P energy: -65.871
tors. eta vs tors. theta energy: -57.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -485.922873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.922873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.922873 (E_RNA)
where:
Base-Base interactions energy: -171.454
where: short stacking energy: -131.166
Base-Backbone interact. energy: 2.387
local terms energy: -316.855421
where:
bonds (distance) C4'-P energy: -96.675
bonds (distance) P-C4' energy: -109.424
flat angles C4'-P-C4' energy: -81.276
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: 13.067
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2466.319821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.319821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.319821 (E_RNA)
where:
Base-Base interactions energy: -1765.698
where: short stacking energy: -675.766
Base-Backbone interact. energy: 0.731
local terms energy: -701.352592
where:
bonds (distance) C4'-P energy: -127.730
bonds (distance) P-C4' energy: -135.802
flat angles C4'-P-C4' energy: -138.923
flat angles P-C4'-P energy: -97.770
tors. eta vs tors. theta energy: -201.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2309.939992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.939992 (E_RNA)
where:
Base-Base interactions energy: -1625.826
where: short stacking energy: -649.721
Base-Backbone interact. energy: -3.382
local terms energy: -680.731691
where:
bonds (distance) C4'-P energy: -124.975
bonds (distance) P-C4' energy: -117.952
flat angles C4'-P-C4' energy: -128.991
flat angles P-C4'-P energy: -112.068
tors. eta vs tors. theta energy: -196.745
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: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2171.690390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.690390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.690390 (E_RNA)
where:
Base-Base interactions energy: -1512.121
where: short stacking energy: -602.896
Base-Backbone interact. energy: -1.669
local terms energy: -657.900006
where:
bonds (distance) C4'-P energy: -116.742
bonds (distance) P-C4' energy: -114.243
flat angles C4'-P-C4' energy: -143.734
flat angles P-C4'-P energy: -101.498
tors. eta vs tors. theta energy: -181.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2067.046750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.046750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.046750 (E_RNA)
where:
Base-Base interactions energy: -1476.010
where: short stacking energy: -595.935
Base-Backbone interact. energy: 8.840
local terms energy: -599.876153
where:
bonds (distance) C4'-P energy: -90.945
bonds (distance) P-C4' energy: -111.960
flat angles C4'-P-C4' energy: -130.789
flat angles P-C4'-P energy: -94.269
tors. eta vs tors. theta energy: -171.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1998.491977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.491977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.491977 (E_RNA)
where:
Base-Base interactions energy: -1402.862
where: short stacking energy: -554.690
Base-Backbone interact. energy: -1.766
local terms energy: -593.864413
where:
bonds (distance) C4'-P energy: -122.884
bonds (distance) P-C4' energy: -118.446
flat angles C4'-P-C4' energy: -114.504
flat angles P-C4'-P energy: -76.784
tors. eta vs tors. theta energy: -161.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1880.313032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.313032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.313032 (E_RNA)
where:
Base-Base interactions energy: -1286.901
where: short stacking energy: -536.136
Base-Backbone interact. energy: 1.081
local terms energy: -594.493242
where:
bonds (distance) C4'-P energy: -113.818
bonds (distance) P-C4' energy: -115.459
flat angles C4'-P-C4' energy: -117.581
flat angles P-C4'-P energy: -81.360
tors. eta vs tors. theta energy: -166.275
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: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1608.199772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.199772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.199772 (E_RNA)
where:
Base-Base interactions energy: -1064.891
where: short stacking energy: -424.753
Base-Backbone interact. energy: -3.647
local terms energy: -539.662384
where:
bonds (distance) C4'-P energy: -116.055
bonds (distance) P-C4' energy: -107.870
flat angles C4'-P-C4' energy: -121.552
flat angles P-C4'-P energy: -80.247
tors. eta vs tors. theta energy: -113.939
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: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1146.929022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.929022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.929022 (E_RNA)
where:
Base-Base interactions energy: -728.213
where: short stacking energy: -363.065
Base-Backbone interact. energy: -1.997
local terms energy: -416.719526
where:
bonds (distance) C4'-P energy: -85.870
bonds (distance) P-C4' energy: -115.036
flat angles C4'-P-C4' energy: -88.115
flat angles P-C4'-P energy: -54.336
tors. eta vs tors. theta energy: -73.363
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: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1075.523866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.523866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.523866 (E_RNA)
where:
Base-Base interactions energy: -643.756
where: short stacking energy: -301.342
Base-Backbone interact. energy: 1.669
local terms energy: -433.436529
where:
bonds (distance) C4'-P energy: -101.909
bonds (distance) P-C4' energy: -102.023
flat angles C4'-P-C4' energy: -99.244
flat angles P-C4'-P energy: -78.022
tors. eta vs tors. theta energy: -52.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -473.897119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.897119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.897119 (E_RNA)
where:
Base-Base interactions energy: -148.981
where: short stacking energy: -133.599
Base-Backbone interact. energy: -1.246
local terms energy: -323.670600
where:
bonds (distance) C4'-P energy: -87.685
bonds (distance) P-C4' energy: -111.128
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -64.506
tors. eta vs tors. theta energy: 16.620
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: 377
Temperature: 0.900000
Total energy: -2453.191506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.191506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.191506 (E_RNA)
where:
Base-Base interactions energy: -1725.809
where: short stacking energy: -684.912
Base-Backbone interact. energy: -2.096
local terms energy: -725.285917
where:
bonds (distance) C4'-P energy: -127.009
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -151.129
flat angles P-C4'-P energy: -111.124
tors. eta vs tors. theta energy: -214.224
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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2311.647441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.647441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.647441 (E_RNA)
where:
Base-Base interactions energy: -1637.379
where: short stacking energy: -644.304
Base-Backbone interact. energy: 0.853
local terms energy: -675.121637
where:
bonds (distance) C4'-P energy: -112.665
bonds (distance) P-C4' energy: -121.865
flat angles C4'-P-C4' energy: -144.231
flat angles P-C4'-P energy: -102.957
tors. eta vs tors. theta energy: -193.404
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: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2176.030937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.030937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.030937 (E_RNA)
where:
Base-Base interactions energy: -1544.387
where: short stacking energy: -603.464
Base-Backbone interact. energy: -2.203
local terms energy: -629.441021
where:
bonds (distance) C4'-P energy: -100.567
bonds (distance) P-C4' energy: -128.942
flat angles C4'-P-C4' energy: -148.183
flat angles P-C4'-P energy: -82.417
tors. eta vs tors. theta energy: -169.332
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: 377
Temperature: 1.050000
Total energy: -2088.648095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.648095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.648095 (E_RNA)
where:
Base-Base interactions energy: -1454.160
where: short stacking energy: -597.702
Base-Backbone interact. energy: -2.803
local terms energy: -631.685035
where:
bonds (distance) C4'-P energy: -99.811
bonds (distance) P-C4' energy: -120.478
flat angles C4'-P-C4' energy: -144.281
flat angles P-C4'-P energy: -82.341
tors. eta vs tors. theta energy: -184.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1989.511608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.511608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.511608 (E_RNA)
where:
Base-Base interactions energy: -1409.859
where: short stacking energy: -525.610
Base-Backbone interact. energy: 3.297
local terms energy: -582.949001
where:
bonds (distance) C4'-P energy: -114.374
bonds (distance) P-C4' energy: -113.614
flat angles C4'-P-C4' energy: -127.455
flat angles P-C4'-P energy: -72.234
tors. eta vs tors. theta energy: -155.272
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: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1909.520831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.520831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.520831 (E_RNA)
where:
Base-Base interactions energy: -1321.883
where: short stacking energy: -523.024
Base-Backbone interact. energy: 5.011
local terms energy: -592.648308
where:
bonds (distance) C4'-P energy: -99.806
bonds (distance) P-C4' energy: -128.967
flat angles C4'-P-C4' energy: -127.986
flat angles P-C4'-P energy: -80.628
tors. eta vs tors. theta energy: -155.261
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: 377
Temperature: 1.200000
Total energy: -1599.699118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.699118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.699118 (E_RNA)
where:
Base-Base interactions energy: -1104.786
where: short stacking energy: -442.406
Base-Backbone interact. energy: -4.966
local terms energy: -489.946572
where:
bonds (distance) C4'-P energy: -87.979
bonds (distance) P-C4' energy: -105.317
flat angles C4'-P-C4' energy: -116.572
flat angles P-C4'-P energy: -56.111
tors. eta vs tors. theta energy: -123.967
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: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1116.514675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.514675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.514675 (E_RNA)
where:
Base-Base interactions energy: -676.508
where: short stacking energy: -306.938
Base-Backbone interact. energy: -0.622
local terms energy: -439.384677
where:
bonds (distance) C4'-P energy: -98.910
bonds (distance) P-C4' energy: -119.639
flat angles C4'-P-C4' energy: -100.471
flat angles P-C4'-P energy: -55.889
tors. eta vs tors. theta energy: -64.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1115.975486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.975486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.975486 (E_RNA)
where:
Base-Base interactions energy: -711.982
where: short stacking energy: -310.754
Base-Backbone interact. energy: 3.363
local terms energy: -407.357161
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -94.359
flat angles C4'-P-C4' energy: -88.575
flat angles P-C4'-P energy: -62.277
tors. eta vs tors. theta energy: -68.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -432.348229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.348229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.348229 (E_RNA)
where:
Base-Base interactions energy: -130.398
where: short stacking energy: -109.868
Base-Backbone interact. energy: 1.315
local terms energy: -303.264600
where:
bonds (distance) C4'-P energy: -106.885
bonds (distance) P-C4' energy: -111.249
flat angles C4'-P-C4' energy: -82.612
flat angles P-C4'-P energy: -47.211
tors. eta vs tors. theta energy: 44.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2465.788937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.788937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.788937 (E_RNA)
where:
Base-Base interactions energy: -1753.049
where: short stacking energy: -697.889
Base-Backbone interact. energy: -2.687
local terms energy: -710.052686
where:
bonds (distance) C4'-P energy: -117.463
bonds (distance) P-C4' energy: -123.840
flat angles C4'-P-C4' energy: -146.191
flat angles P-C4'-P energy: -106.368
tors. eta vs tors. theta energy: -216.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2272.435542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.435542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.435542 (E_RNA)
where:
Base-Base interactions energy: -1567.519
where: short stacking energy: -632.224
Base-Backbone interact. energy: -1.589
local terms energy: -703.327105
where:
bonds (distance) C4'-P energy: -129.578
bonds (distance) P-C4' energy: -130.522
flat angles C4'-P-C4' energy: -139.031
flat angles P-C4'-P energy: -103.647
tors. eta vs tors. theta energy: -200.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2185.107993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.107993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.107993 (E_RNA)
where:
Base-Base interactions energy: -1558.796
where: short stacking energy: -607.519
Base-Backbone interact. energy: 4.037
local terms energy: -630.349410
where:
bonds (distance) C4'-P energy: -109.489
bonds (distance) P-C4' energy: -109.806
flat angles C4'-P-C4' energy: -147.547
flat angles P-C4'-P energy: -85.696
tors. eta vs tors. theta energy: -177.811
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2101.352756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.352756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.352756 (E_RNA)
where:
Base-Base interactions energy: -1456.988
where: short stacking energy: -589.603
Base-Backbone interact. energy: -0.558
local terms energy: -643.806186
where:
bonds (distance) C4'-P energy: -114.536
bonds (distance) P-C4' energy: -114.911
flat angles C4'-P-C4' energy: -133.830
flat angles P-C4'-P energy: -94.165
tors. eta vs tors. theta energy: -186.364
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1953.783074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.783074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.783074 (E_RNA)
where:
Base-Base interactions energy: -1399.548
where: short stacking energy: -526.639
Base-Backbone interact. energy: -0.468
local terms energy: -553.766376
where:
bonds (distance) C4'-P energy: -98.221
bonds (distance) P-C4' energy: -118.621
flat angles C4'-P-C4' energy: -118.222
flat angles P-C4'-P energy: -82.944
tors. eta vs tors. theta energy: -135.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1948.973770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.973770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.973770 (E_RNA)
where:
Base-Base interactions energy: -1384.371
where: short stacking energy: -557.289
Base-Backbone interact. energy: -1.882
local terms energy: -562.720860
where:
bonds (distance) C4'-P energy: -103.891
bonds (distance) P-C4' energy: -102.777
flat angles C4'-P-C4' energy: -122.096
flat angles P-C4'-P energy: -69.227
tors. eta vs tors. theta energy: -164.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1570.956175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.956175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.956175 (E_RNA)
where:
Base-Base interactions energy: -1067.560
where: short stacking energy: -443.710
Base-Backbone interact. energy: 5.110
local terms energy: -508.506109
where:
bonds (distance) C4'-P energy: -80.537
bonds (distance) P-C4' energy: -104.351
flat angles C4'-P-C4' energy: -126.877
flat angles P-C4'-P energy: -86.740
tors. eta vs tors. theta energy: -110.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1123.198561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.198561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.198561 (E_RNA)
where:
Base-Base interactions energy: -691.921
where: short stacking energy: -305.270
Base-Backbone interact. energy: -1.664
local terms energy: -429.613333
where:
bonds (distance) C4'-P energy: -103.335
bonds (distance) P-C4' energy: -113.185
flat angles C4'-P-C4' energy: -106.103
flat angles P-C4'-P energy: -48.800
tors. eta vs tors. theta energy: -58.191
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: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1104.264698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.264698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.264698 (E_RNA)
where:
Base-Base interactions energy: -656.827
where: short stacking energy: -299.548
Base-Backbone interact. energy: 1.633
local terms energy: -449.070446
where:
bonds (distance) C4'-P energy: -94.190
bonds (distance) P-C4' energy: -112.613
flat angles C4'-P-C4' energy: -116.549
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -55.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -441.679885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.679885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.679885 (E_RNA)
where:
Base-Base interactions energy: -135.465
where: short stacking energy: -108.153
Base-Backbone interact. energy: -3.411
local terms energy: -302.804522
where:
bonds (distance) C4'-P energy: -86.951
bonds (distance) P-C4' energy: -98.849
flat angles C4'-P-C4' energy: -93.058
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: 24.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2469.099298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.099298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.099298 (E_RNA)
where:
Base-Base interactions energy: -1739.527
where: short stacking energy: -680.397
Base-Backbone interact. energy: -2.722
local terms energy: -726.850362
where:
bonds (distance) C4'-P energy: -124.399
bonds (distance) P-C4' energy: -120.996
flat angles C4'-P-C4' energy: -155.648
flat angles P-C4'-P energy: -111.911
tors. eta vs tors. theta energy: -213.896
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: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2277.572258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.572258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.572258 (E_RNA)
where:
Base-Base interactions energy: -1588.480
where: short stacking energy: -653.943
Base-Backbone interact. energy: 0.805
local terms energy: -689.897582
where:
bonds (distance) C4'-P energy: -118.987
bonds (distance) P-C4' energy: -134.927
flat angles C4'-P-C4' energy: -144.955
flat angles P-C4'-P energy: -92.365
tors. eta vs tors. theta energy: -198.664
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: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2177.243305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.243305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.243305 (E_RNA)
where:
Base-Base interactions energy: -1530.552
where: short stacking energy: -608.470
Base-Backbone interact. energy: -3.168
local terms energy: -643.522866
where:
bonds (distance) C4'-P energy: -114.800
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -142.089
flat angles P-C4'-P energy: -89.668
tors. eta vs tors. theta energy: -175.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2133.445499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.445499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.445499 (E_RNA)
where:
Base-Base interactions energy: -1485.019
where: short stacking energy: -588.817
Base-Backbone interact. energy: 0.213
local terms energy: -648.639185
where:
bonds (distance) C4'-P energy: -109.620
bonds (distance) P-C4' energy: -122.022
flat angles C4'-P-C4' energy: -131.759
flat angles P-C4'-P energy: -99.046
tors. eta vs tors. theta energy: -186.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2008.132386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.132386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.132386 (E_RNA)
where:
Base-Base interactions energy: -1415.189
where: short stacking energy: -539.268
Base-Backbone interact. energy: -1.101
local terms energy: -591.843007
where:
bonds (distance) C4'-P energy: -106.849
bonds (distance) P-C4' energy: -112.306
flat angles C4'-P-C4' energy: -142.729
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -152.352
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1998.750332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.750332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.750332 (E_RNA)
where:
Base-Base interactions energy: -1382.259
where: short stacking energy: -536.240
Base-Backbone interact. energy: -1.804
local terms energy: -614.687452
where:
bonds (distance) C4'-P energy: -114.958
bonds (distance) P-C4' energy: -111.851
flat angles C4'-P-C4' energy: -131.407
flat angles P-C4'-P energy: -83.275
tors. eta vs tors. theta energy: -173.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1591.471169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.471169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.471169 (E_RNA)
where:
Base-Base interactions energy: -1082.994
where: short stacking energy: -447.814
Base-Backbone interact. energy: -0.745
local terms energy: -507.732208
where:
bonds (distance) C4'-P energy: -107.980
bonds (distance) P-C4' energy: -102.947
flat angles C4'-P-C4' energy: -107.153
flat angles P-C4'-P energy: -78.131
tors. eta vs tors. theta energy: -111.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1145.810855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.810855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.810855 (E_RNA)
where:
Base-Base interactions energy: -685.415
where: short stacking energy: -300.322
Base-Backbone interact. energy: -2.503
local terms energy: -457.892847
where:
bonds (distance) C4'-P energy: -110.261
bonds (distance) P-C4' energy: -110.814
flat angles C4'-P-C4' energy: -104.504
flat angles P-C4'-P energy: -82.688
tors. eta vs tors. theta energy: -49.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1136.467621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.467621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.467621 (E_RNA)
where:
Base-Base interactions energy: -696.418
where: short stacking energy: -304.728
Base-Backbone interact. energy: 1.262
local terms energy: -441.312059
where:
bonds (distance) C4'-P energy: -122.939
bonds (distance) P-C4' energy: -108.432
flat angles C4'-P-C4' energy: -90.033
flat angles P-C4'-P energy: -58.714
tors. eta vs tors. theta energy: -61.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -458.129871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.129871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.129871 (E_RNA)
where:
Base-Base interactions energy: -143.844
where: short stacking energy: -109.078
Base-Backbone interact. energy: -0.364
local terms energy: -313.921565
where:
bonds (distance) C4'-P energy: -101.361
bonds (distance) P-C4' energy: -116.008
flat angles C4'-P-C4' energy: -89.076
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: 37.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2446.337291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.337291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.337291 (E_RNA)
where:
Base-Base interactions energy: -1724.194
where: short stacking energy: -696.742
Base-Backbone interact. energy: -2.599
local terms energy: -719.544052
where:
bonds (distance) C4'-P energy: -131.430
bonds (distance) P-C4' energy: -120.228
flat angles C4'-P-C4' energy: -141.001
flat angles P-C4'-P energy: -109.447
tors. eta vs tors. theta energy: -217.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2325.500623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.500623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.500623 (E_RNA)
where:
Base-Base interactions energy: -1637.164
where: short stacking energy: -654.677
Base-Backbone interact. energy: -2.871
local terms energy: -685.464991
where:
bonds (distance) C4'-P energy: -124.961
bonds (distance) P-C4' energy: -118.277
flat angles C4'-P-C4' energy: -150.339
flat angles P-C4'-P energy: -86.475
tors. eta vs tors. theta energy: -205.414
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: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2164.246278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.246278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.246278 (E_RNA)
where:
Base-Base interactions energy: -1511.715
where: short stacking energy: -588.352
Base-Backbone interact. energy: -3.543
local terms energy: -648.988516
where:
bonds (distance) C4'-P energy: -123.543
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -138.136
flat angles P-C4'-P energy: -98.084
tors. eta vs tors. theta energy: -172.626
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: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2109.675332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.675332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.675332 (E_RNA)
where:
Base-Base interactions energy: -1463.691
where: short stacking energy: -566.505
Base-Backbone interact. energy: -2.176
local terms energy: -643.808214
where:
bonds (distance) C4'-P energy: -119.534
bonds (distance) P-C4' energy: -121.985
flat angles C4'-P-C4' energy: -148.508
flat angles P-C4'-P energy: -83.552
tors. eta vs tors. theta energy: -170.229
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: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1977.703126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.703126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.703126 (E_RNA)
where:
Base-Base interactions energy: -1403.299
where: short stacking energy: -535.173
Base-Backbone interact. energy: -1.315
local terms energy: -573.089191
where:
bonds (distance) C4'-P energy: -98.703
bonds (distance) P-C4' energy: -93.368
flat angles C4'-P-C4' energy: -138.030
flat angles P-C4'-P energy: -85.193
tors. eta vs tors. theta energy: -157.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1918.671799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.671799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.671799 (E_RNA)
where:
Base-Base interactions energy: -1319.414
where: short stacking energy: -543.857
Base-Backbone interact. energy: -1.572
local terms energy: -597.685793
where:
bonds (distance) C4'-P energy: -102.837
bonds (distance) P-C4' energy: -105.900
flat angles C4'-P-C4' energy: -141.133
flat angles P-C4'-P energy: -86.598
tors. eta vs tors. theta energy: -161.217
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: 380
Temperature: 1.200000
Total energy: -1647.224058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.224058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.224058 (E_RNA)
where:
Base-Base interactions energy: -1114.175
where: short stacking energy: -441.154
Base-Backbone interact. energy: 2.006
local terms energy: -535.054758
where:
bonds (distance) C4'-P energy: -95.029
bonds (distance) P-C4' energy: -115.887
flat angles C4'-P-C4' energy: -114.350
flat angles P-C4'-P energy: -89.807
tors. eta vs tors. theta energy: -119.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1120.576303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.576303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.576303 (E_RNA)
where:
Base-Base interactions energy: -677.402
where: short stacking energy: -301.796
Base-Backbone interact. energy: -2.050
local terms energy: -441.123960
where:
bonds (distance) C4'-P energy: -99.574
bonds (distance) P-C4' energy: -121.091
flat angles C4'-P-C4' energy: -101.203
flat angles P-C4'-P energy: -54.426
tors. eta vs tors. theta energy: -64.830
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: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1126.594701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.594701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.594701 (E_RNA)
where:
Base-Base interactions energy: -703.908
where: short stacking energy: -300.486
Base-Backbone interact. energy: -1.399
local terms energy: -421.287683
where:
bonds (distance) C4'-P energy: -116.226
bonds (distance) P-C4' energy: -104.424
flat angles C4'-P-C4' energy: -89.347
flat angles P-C4'-P energy: -55.743
tors. eta vs tors. theta energy: -55.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -441.843136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.843136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.843136 (E_RNA)
where:
Base-Base interactions energy: -135.932
where: short stacking energy: -106.463
Base-Backbone interact. energy: -0.493
local terms energy: -305.417767
where:
bonds (distance) C4'-P energy: -94.332
bonds (distance) P-C4' energy: -100.732
flat angles C4'-P-C4' energy: -74.755
flat angles P-C4'-P energy: -58.205
tors. eta vs tors. theta energy: 22.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2469.020825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.020825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.020825 (E_RNA)
where:
Base-Base interactions energy: -1754.712
where: short stacking energy: -700.921
Base-Backbone interact. energy: -1.988
local terms energy: -712.321064
where:
bonds (distance) C4'-P energy: -125.468
bonds (distance) P-C4' energy: -126.101
flat angles C4'-P-C4' energy: -141.897
flat angles P-C4'-P energy: -105.333
tors. eta vs tors. theta energy: -213.522
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: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2287.467689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.467689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.467689 (E_RNA)
where:
Base-Base interactions energy: -1609.291
where: short stacking energy: -628.765
Base-Backbone interact. energy: -3.382
local terms energy: -674.794570
where:
bonds (distance) C4'-P energy: -119.637
bonds (distance) P-C4' energy: -131.610
flat angles C4'-P-C4' energy: -145.430
flat angles P-C4'-P energy: -89.383
tors. eta vs tors. theta energy: -188.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2210.155365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.155365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.155365 (E_RNA)
where:
Base-Base interactions energy: -1569.445
where: short stacking energy: -606.527
Base-Backbone interact. energy: 0.803
local terms energy: -641.512697
where:
bonds (distance) C4'-P energy: -109.061
bonds (distance) P-C4' energy: -125.559
flat angles C4'-P-C4' energy: -140.800
flat angles P-C4'-P energy: -84.110
tors. eta vs tors. theta energy: -181.983
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2128.710108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.710108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.710108 (E_RNA)
where:
Base-Base interactions energy: -1475.706
where: short stacking energy: -596.941
Base-Backbone interact. energy: -4.608
local terms energy: -648.396286
where:
bonds (distance) C4'-P energy: -124.970
bonds (distance) P-C4' energy: -115.931
flat angles C4'-P-C4' energy: -131.977
flat angles P-C4'-P energy: -88.017
tors. eta vs tors. theta energy: -187.502
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: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1994.324391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.324391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.324391 (E_RNA)
where:
Base-Base interactions energy: -1422.201
where: short stacking energy: -536.740
Base-Backbone interact. energy: -1.824
local terms energy: -570.300258
where:
bonds (distance) C4'-P energy: -103.773
bonds (distance) P-C4' energy: -108.346
flat angles C4'-P-C4' energy: -122.653
flat angles P-C4'-P energy: -87.241
tors. eta vs tors. theta energy: -148.288
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: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1875.973860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.973860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.973860 (E_RNA)
where:
Base-Base interactions energy: -1327.971
where: short stacking energy: -514.639
Base-Backbone interact. energy: -2.344
local terms energy: -545.658851
where:
bonds (distance) C4'-P energy: -86.895
bonds (distance) P-C4' energy: -105.643
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -86.346
tors. eta vs tors. theta energy: -151.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1567.510189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.510189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.510189 (E_RNA)
where:
Base-Base interactions energy: -1052.857
where: short stacking energy: -447.138
Base-Backbone interact. energy: -1.818
local terms energy: -512.835227
where:
bonds (distance) C4'-P energy: -85.947
bonds (distance) P-C4' energy: -106.546
flat angles C4'-P-C4' energy: -127.741
flat angles P-C4'-P energy: -76.519
tors. eta vs tors. theta energy: -116.082
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: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1168.282024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.282024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.282024 (E_RNA)
where:
Base-Base interactions energy: -720.422
where: short stacking energy: -299.819
Base-Backbone interact. energy: -2.635
local terms energy: -445.225401
where:
bonds (distance) C4'-P energy: -96.686
bonds (distance) P-C4' energy: -105.914
flat angles C4'-P-C4' energy: -111.545
flat angles P-C4'-P energy: -78.846
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: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1071.043341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.043341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.043341 (E_RNA)
where:
Base-Base interactions energy: -643.478
where: short stacking energy: -284.345
Base-Backbone interact. energy: 0.277
local terms energy: -427.841780
where:
bonds (distance) C4'-P energy: -101.907
bonds (distance) P-C4' energy: -107.285
flat angles C4'-P-C4' energy: -100.672
flat angles P-C4'-P energy: -63.134
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: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -428.269046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.269046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.269046 (E_RNA)
where:
Base-Base interactions energy: -132.695
where: short stacking energy: -119.767
Base-Backbone interact. energy: 4.330
local terms energy: -299.904303
where:
bonds (distance) C4'-P energy: -98.183
bonds (distance) P-C4' energy: -110.969
flat angles C4'-P-C4' energy: -76.712
flat angles P-C4'-P energy: -45.614
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: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2484.841158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.841158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.841158 (E_RNA)
where:
Base-Base interactions energy: -1772.684
where: short stacking energy: -709.420
Base-Backbone interact. energy: -2.223
local terms energy: -709.934443
where:
bonds (distance) C4'-P energy: -128.882
bonds (distance) P-C4' energy: -122.680
flat angles C4'-P-C4' energy: -145.788
flat angles P-C4'-P energy: -102.957
tors. eta vs tors. theta energy: -209.627
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: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2320.620986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.620986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.620986 (E_RNA)
where:
Base-Base interactions energy: -1647.247
where: short stacking energy: -641.790
Base-Backbone interact. energy: -4.545
local terms energy: -668.829307
where:
bonds (distance) C4'-P energy: -118.508
bonds (distance) P-C4' energy: -125.422
flat angles C4'-P-C4' energy: -137.476
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -196.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2175.459746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.459746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.459746 (E_RNA)
where:
Base-Base interactions energy: -1551.824
where: short stacking energy: -606.644
Base-Backbone interact. energy: 0.527
local terms energy: -624.162939
where:
bonds (distance) C4'-P energy: -111.510
bonds (distance) P-C4' energy: -119.824
flat angles C4'-P-C4' energy: -135.904
flat angles P-C4'-P energy: -84.046
tors. eta vs tors. theta energy: -172.880
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2094.623679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.623679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.623679 (E_RNA)
where:
Base-Base interactions energy: -1443.960
where: short stacking energy: -607.013
Base-Backbone interact. energy: -4.994
local terms energy: -645.669532
where:
bonds (distance) C4'-P energy: -101.183
bonds (distance) P-C4' energy: -120.979
flat angles C4'-P-C4' energy: -132.837
flat angles P-C4'-P energy: -102.038
tors. eta vs tors. theta energy: -188.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1954.383791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.383791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.383791 (E_RNA)
where:
Base-Base interactions energy: -1375.336
where: short stacking energy: -532.707
Base-Backbone interact. energy: -2.695
local terms energy: -576.352828
where:
bonds (distance) C4'-P energy: -109.412
bonds (distance) P-C4' energy: -117.280
flat angles C4'-P-C4' energy: -128.995
flat angles P-C4'-P energy: -69.314
tors. eta vs tors. theta energy: -151.352
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1819.036881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.036881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.036881 (E_RNA)
where:
Base-Base interactions energy: -1256.642
where: short stacking energy: -518.300
Base-Backbone interact. energy: -2.930
local terms energy: -559.465141
where:
bonds (distance) C4'-P energy: -122.678
bonds (distance) P-C4' energy: -79.757
flat angles C4'-P-C4' energy: -127.118
flat angles P-C4'-P energy: -79.994
tors. eta vs tors. theta energy: -149.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1619.930955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.930955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.930955 (E_RNA)
where:
Base-Base interactions energy: -1083.907
where: short stacking energy: -443.195
Base-Backbone interact. energy: 2.510
local terms energy: -538.533343
where:
bonds (distance) C4'-P energy: -109.044
bonds (distance) P-C4' energy: -108.808
flat angles C4'-P-C4' energy: -118.702
flat angles P-C4'-P energy: -76.987
tors. eta vs tors. theta energy: -124.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1239.260993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.260993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.260993 (E_RNA)
where:
Base-Base interactions energy: -756.117
where: short stacking energy: -338.720
Base-Backbone interact. energy: -1.907
local terms energy: -481.236731
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -113.843
flat angles P-C4'-P energy: -80.891
tors. eta vs tors. theta energy: -80.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1016.940081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.940081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.940081 (E_RNA)
where:
Base-Base interactions energy: -634.614
where: short stacking energy: -274.850
Base-Backbone interact. energy: 1.223
local terms energy: -383.548411
where:
bonds (distance) C4'-P energy: -98.698
bonds (distance) P-C4' energy: -83.251
flat angles C4'-P-C4' energy: -101.082
flat angles P-C4'-P energy: -55.855
tors. eta vs tors. theta energy: -44.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -448.044743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.044743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.044743 (E_RNA)
where:
Base-Base interactions energy: -165.267
where: short stacking energy: -141.285
Base-Backbone interact. energy: -1.845
local terms energy: -280.932652
where:
bonds (distance) C4'-P energy: -85.608
bonds (distance) P-C4' energy: -95.767
flat angles C4'-P-C4' energy: -72.465
flat angles P-C4'-P energy: -37.555
tors. eta vs tors. theta energy: 10.461
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: 383
Temperature: 0.900000
Total energy: -2460.283908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.283908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.283908 (E_RNA)
where:
Base-Base interactions energy: -1750.785
where: short stacking energy: -697.857
Base-Backbone interact. energy: -3.281
local terms energy: -706.217895
where:
bonds (distance) C4'-P energy: -121.589
bonds (distance) P-C4' energy: -125.079
flat angles C4'-P-C4' energy: -143.670
flat angles P-C4'-P energy: -105.824
tors. eta vs tors. theta energy: -210.056
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: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2320.609226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.609226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.609226 (E_RNA)
where:
Base-Base interactions energy: -1630.572
where: short stacking energy: -646.496
Base-Backbone interact. energy: -0.672
local terms energy: -689.365000
where:
bonds (distance) C4'-P energy: -122.322
bonds (distance) P-C4' energy: -129.090
flat angles C4'-P-C4' energy: -148.414
flat angles P-C4'-P energy: -90.235
tors. eta vs tors. theta energy: -199.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2199.128144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.128144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.128144 (E_RNA)
where:
Base-Base interactions energy: -1543.767
where: short stacking energy: -608.463
Base-Backbone interact. energy: -3.702
local terms energy: -651.659240
where:
bonds (distance) C4'-P energy: -111.430
bonds (distance) P-C4' energy: -124.359
flat angles C4'-P-C4' energy: -140.080
flat angles P-C4'-P energy: -98.444
tors. eta vs tors. theta energy: -177.346
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: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2087.909237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.909237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.909237 (E_RNA)
where:
Base-Base interactions energy: -1447.087
where: short stacking energy: -582.370
Base-Backbone interact. energy: 0.982
local terms energy: -641.803682
where:
bonds (distance) C4'-P energy: -111.959
bonds (distance) P-C4' energy: -121.830
flat angles C4'-P-C4' energy: -137.299
flat angles P-C4'-P energy: -96.989
tors. eta vs tors. theta energy: -173.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1979.055605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.055605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.055605 (E_RNA)
where:
Base-Base interactions energy: -1415.789
where: short stacking energy: -530.117
Base-Backbone interact. energy: -3.196
local terms energy: -560.071329
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -97.390
flat angles C4'-P-C4' energy: -124.647
flat angles P-C4'-P energy: -89.106
tors. eta vs tors. theta energy: -149.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1880.884273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.884273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.884273 (E_RNA)
where:
Base-Base interactions energy: -1318.871
where: short stacking energy: -539.990
Base-Backbone interact. energy: 4.563
local terms energy: -566.576608
where:
bonds (distance) C4'-P energy: -102.908
bonds (distance) P-C4' energy: -113.619
flat angles C4'-P-C4' energy: -117.763
flat angles P-C4'-P energy: -80.552
tors. eta vs tors. theta energy: -151.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1634.248853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.248853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.248853 (E_RNA)
where:
Base-Base interactions energy: -1105.160
where: short stacking energy: -443.349
Base-Backbone interact. energy: -1.898
local terms energy: -527.191282
where:
bonds (distance) C4'-P energy: -94.518
bonds (distance) P-C4' energy: -108.975
flat angles C4'-P-C4' energy: -106.329
flat angles P-C4'-P energy: -80.360
tors. eta vs tors. theta energy: -137.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1173.601859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.601859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.601859 (E_RNA)
where:
Base-Base interactions energy: -719.753
where: short stacking energy: -323.026
Base-Backbone interact. energy: 4.345
local terms energy: -458.193858
where:
bonds (distance) C4'-P energy: -102.208
bonds (distance) P-C4' energy: -115.116
flat angles C4'-P-C4' energy: -111.388
flat angles P-C4'-P energy: -61.231
tors. eta vs tors. theta energy: -68.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1057.651261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.651261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.651261 (E_RNA)
where:
Base-Base interactions energy: -637.184
where: short stacking energy: -303.815
Base-Backbone interact. energy: 0.535
local terms energy: -421.002721
where:
bonds (distance) C4'-P energy: -103.907
bonds (distance) P-C4' energy: -110.263
flat angles C4'-P-C4' energy: -94.266
flat angles P-C4'-P energy: -58.752
tors. eta vs tors. theta energy: -53.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -443.659298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.659298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.659298 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -113.660
Base-Backbone interact. energy: -1.297
local terms energy: -310.231269
where:
bonds (distance) C4'-P energy: -87.730
bonds (distance) P-C4' energy: -102.699
flat angles C4'-P-C4' energy: -79.487
flat angles P-C4'-P energy: -61.578
tors. eta vs tors. theta energy: 21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2479.097258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.097258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.097258 (E_RNA)
where:
Base-Base interactions energy: -1761.418
where: short stacking energy: -708.817
Base-Backbone interact. energy: 0.189
local terms energy: -717.868438
where:
bonds (distance) C4'-P energy: -131.309
bonds (distance) P-C4' energy: -130.477
flat angles C4'-P-C4' energy: -145.815
flat angles P-C4'-P energy: -98.767
tors. eta vs tors. theta energy: -211.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2323.227170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.227170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.227170 (E_RNA)
where:
Base-Base interactions energy: -1629.409
where: short stacking energy: -620.049
Base-Backbone interact. energy: -5.708
local terms energy: -688.110139
where:
bonds (distance) C4'-P energy: -134.879
bonds (distance) P-C4' energy: -128.937
flat angles C4'-P-C4' energy: -141.562
flat angles P-C4'-P energy: -92.251
tors. eta vs tors. theta energy: -190.481
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2230.520426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.520426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.520426 (E_RNA)
where:
Base-Base interactions energy: -1584.993
where: short stacking energy: -628.905
Base-Backbone interact. energy: -2.063
local terms energy: -643.464995
where:
bonds (distance) C4'-P energy: -103.966
bonds (distance) P-C4' energy: -121.261
flat angles C4'-P-C4' energy: -146.561
flat angles P-C4'-P energy: -84.519
tors. eta vs tors. theta energy: -187.158
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: 384
Temperature: 1.050000
Total energy: -2066.949282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.949282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.949282 (E_RNA)
where:
Base-Base interactions energy: -1438.863
where: short stacking energy: -570.410
Base-Backbone interact. energy: -3.344
local terms energy: -624.741725
where:
bonds (distance) C4'-P energy: -115.121
bonds (distance) P-C4' energy: -106.985
flat angles C4'-P-C4' energy: -130.965
flat angles P-C4'-P energy: -102.398
tors. eta vs tors. theta energy: -169.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2020.407807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.407807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.407807 (E_RNA)
where:
Base-Base interactions energy: -1452.343
where: short stacking energy: -558.082
Base-Backbone interact. energy: -2.220
local terms energy: -565.845178
where:
bonds (distance) C4'-P energy: -112.663
bonds (distance) P-C4' energy: -96.344
flat angles C4'-P-C4' energy: -125.650
flat angles P-C4'-P energy: -76.504
tors. eta vs tors. theta energy: -154.684
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: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1861.758042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.758042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.758042 (E_RNA)
where:
Base-Base interactions energy: -1262.715
where: short stacking energy: -534.738
Base-Backbone interact. energy: -0.083
local terms energy: -598.961008
where:
bonds (distance) C4'-P energy: -101.493
bonds (distance) P-C4' energy: -111.035
flat angles C4'-P-C4' energy: -127.351
flat angles P-C4'-P energy: -93.909
tors. eta vs tors. theta energy: -165.173
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: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1574.521381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.521381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.521381 (E_RNA)
where:
Base-Base interactions energy: -1060.083
where: short stacking energy: -441.018
Base-Backbone interact. energy: 0.417
local terms energy: -514.854913
where:
bonds (distance) C4'-P energy: -110.842
bonds (distance) P-C4' energy: -100.231
flat angles C4'-P-C4' energy: -117.736
flat angles P-C4'-P energy: -70.627
tors. eta vs tors. theta energy: -115.417
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: 384
Temperature: 1.250000
Total energy: -1183.496649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.496649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.496649 (E_RNA)
where:
Base-Base interactions energy: -739.187
where: short stacking energy: -338.135
Base-Backbone interact. energy: -1.684
local terms energy: -442.626009
where:
bonds (distance) C4'-P energy: -100.711
bonds (distance) P-C4' energy: -93.916
flat angles C4'-P-C4' energy: -111.642
flat angles P-C4'-P energy: -56.406
tors. eta vs tors. theta energy: -79.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1072.005036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.005036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.005036 (E_RNA)
where:
Base-Base interactions energy: -635.873
where: short stacking energy: -278.345
Base-Backbone interact. energy: -1.358
local terms energy: -434.773386
where:
bonds (distance) C4'-P energy: -110.996
bonds (distance) P-C4' energy: -123.867
flat angles C4'-P-C4' energy: -89.443
flat angles P-C4'-P energy: -64.416
tors. eta vs tors. theta energy: -46.051
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: 384
Temperature: 1.350000
Total energy: -462.445799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.445799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.445799 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -110.891
Base-Backbone interact. energy: -0.085
local terms energy: -324.789169
where:
bonds (distance) C4'-P energy: -109.547
bonds (distance) P-C4' energy: -110.275
flat angles C4'-P-C4' energy: -76.130
flat angles P-C4'-P energy: -58.931
tors. eta vs tors. theta energy: 30.093
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: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2471.623708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.623708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.623708 (E_RNA)
where:
Base-Base interactions energy: -1751.416
where: short stacking energy: -701.495
Base-Backbone interact. energy: -2.073
local terms energy: -718.134780
where:
bonds (distance) C4'-P energy: -129.548
bonds (distance) P-C4' energy: -123.664
flat angles C4'-P-C4' energy: -152.986
flat angles P-C4'-P energy: -99.125
tors. eta vs tors. theta energy: -212.812
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: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2286.923615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.923615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.923615 (E_RNA)
where:
Base-Base interactions energy: -1604.884
where: short stacking energy: -638.063
Base-Backbone interact. energy: -1.516
local terms energy: -680.522991
where:
bonds (distance) C4'-P energy: -118.478
bonds (distance) P-C4' energy: -131.950
flat angles C4'-P-C4' energy: -136.668
flat angles P-C4'-P energy: -97.115
tors. eta vs tors. theta energy: -196.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2256.983977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.983977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.983977 (E_RNA)
where:
Base-Base interactions energy: -1589.090
where: short stacking energy: -647.710
Base-Backbone interact. energy: -2.040
local terms energy: -665.854757
where:
bonds (distance) C4'-P energy: -113.933
bonds (distance) P-C4' energy: -128.513
flat angles C4'-P-C4' energy: -140.032
flat angles P-C4'-P energy: -94.951
tors. eta vs tors. theta energy: -188.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2153.339029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.339029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.339029 (E_RNA)
where:
Base-Base interactions energy: -1488.062
where: short stacking energy: -614.590
Base-Backbone interact. energy: -3.218
local terms energy: -662.059086
where:
bonds (distance) C4'-P energy: -121.608
bonds (distance) P-C4' energy: -124.369
flat angles C4'-P-C4' energy: -127.937
flat angles P-C4'-P energy: -94.436
tors. eta vs tors. theta energy: -193.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1963.222135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.222135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.222135 (E_RNA)
where:
Base-Base interactions energy: -1400.033
where: short stacking energy: -533.438
Base-Backbone interact. energy: -0.806
local terms energy: -562.382638
where:
bonds (distance) C4'-P energy: -100.229
bonds (distance) P-C4' energy: -116.071
flat angles C4'-P-C4' energy: -115.190
flat angles P-C4'-P energy: -79.817
tors. eta vs tors. theta energy: -151.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1914.576103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.576103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.576103 (E_RNA)
where:
Base-Base interactions energy: -1349.014
where: short stacking energy: -526.150
Base-Backbone interact. energy: -2.023
local terms energy: -563.539794
where:
bonds (distance) C4'-P energy: -95.810
bonds (distance) P-C4' energy: -104.672
flat angles C4'-P-C4' energy: -120.882
flat angles P-C4'-P energy: -76.063
tors. eta vs tors. theta energy: -166.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1588.383846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.383846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.383846 (E_RNA)
where:
Base-Base interactions energy: -1084.635
where: short stacking energy: -438.689
Base-Backbone interact. energy: 1.199
local terms energy: -504.948247
where:
bonds (distance) C4'-P energy: -100.241
bonds (distance) P-C4' energy: -107.430
flat angles C4'-P-C4' energy: -103.703
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -126.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1167.449156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.449156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.449156 (E_RNA)
where:
Base-Base interactions energy: -729.776
where: short stacking energy: -293.061
Base-Backbone interact. energy: 0.606
local terms energy: -438.278987
where:
bonds (distance) C4'-P energy: -111.668
bonds (distance) P-C4' energy: -101.978
flat angles C4'-P-C4' energy: -105.029
flat angles P-C4'-P energy: -69.407
tors. eta vs tors. theta energy: -50.197
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: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1099.045283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.045283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.045283 (E_RNA)
where:
Base-Base interactions energy: -691.105
where: short stacking energy: -307.091
Base-Backbone interact. energy: 0.878
local terms energy: -408.818605
where:
bonds (distance) C4'-P energy: -82.334
bonds (distance) P-C4' energy: -114.778
flat angles C4'-P-C4' energy: -104.400
flat angles P-C4'-P energy: -56.828
tors. eta vs tors. theta energy: -50.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -446.951672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.951672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.951672 (E_RNA)
where:
Base-Base interactions energy: -129.046
where: short stacking energy: -113.180
Base-Backbone interact. energy: 2.107
local terms energy: -320.013597
where:
bonds (distance) C4'-P energy: -101.504
bonds (distance) P-C4' energy: -113.749
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -55.403
tors. eta vs tors. theta energy: 29.789
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: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2478.425038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.425038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.425038 (E_RNA)
where:
Base-Base interactions energy: -1750.720
where: short stacking energy: -699.069
Base-Backbone interact. energy: -1.375
local terms energy: -726.330824
where:
bonds (distance) C4'-P energy: -128.442
bonds (distance) P-C4' energy: -126.193
flat angles C4'-P-C4' energy: -151.921
flat angles P-C4'-P energy: -106.517
tors. eta vs tors. theta energy: -213.257
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: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2289.588836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.588836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.588836 (E_RNA)
where:
Base-Base interactions energy: -1600.532
where: short stacking energy: -636.896
Base-Backbone interact. energy: -4.717
local terms energy: -684.340410
where:
bonds (distance) C4'-P energy: -118.083
bonds (distance) P-C4' energy: -132.830
flat angles C4'-P-C4' energy: -141.087
flat angles P-C4'-P energy: -101.865
tors. eta vs tors. theta energy: -190.476
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: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2239.835849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.835849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.835849 (E_RNA)
where:
Base-Base interactions energy: -1569.023
where: short stacking energy: -626.429
Base-Backbone interact. energy: -3.571
local terms energy: -667.241529
where:
bonds (distance) C4'-P energy: -124.043
bonds (distance) P-C4' energy: -112.450
flat angles C4'-P-C4' energy: -141.862
flat angles P-C4'-P energy: -95.797
tors. eta vs tors. theta energy: -193.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2146.433788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.433788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.433788 (E_RNA)
where:
Base-Base interactions energy: -1537.461
where: short stacking energy: -577.141
Base-Backbone interact. energy: -0.919
local terms energy: -608.053666
where:
bonds (distance) C4'-P energy: -109.898
bonds (distance) P-C4' energy: -106.163
flat angles C4'-P-C4' energy: -132.479
flat angles P-C4'-P energy: -84.866
tors. eta vs tors. theta energy: -174.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1988.192930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.192930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.192930 (E_RNA)
where:
Base-Base interactions energy: -1413.674
where: short stacking energy: -552.504
Base-Backbone interact. energy: -2.599
local terms energy: -571.920402
where:
bonds (distance) C4'-P energy: -106.788
bonds (distance) P-C4' energy: -107.426
flat angles C4'-P-C4' energy: -132.206
flat angles P-C4'-P energy: -72.103
tors. eta vs tors. theta energy: -153.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1890.189992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.189992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.189992 (E_RNA)
where:
Base-Base interactions energy: -1291.501
where: short stacking energy: -499.939
Base-Backbone interact. energy: -0.083
local terms energy: -598.605448
where:
bonds (distance) C4'-P energy: -131.584
bonds (distance) P-C4' energy: -104.087
flat angles C4'-P-C4' energy: -125.329
flat angles P-C4'-P energy: -84.231
tors. eta vs tors. theta energy: -153.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1504.793178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.793178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.793178 (E_RNA)
where:
Base-Base interactions energy: -1002.621
where: short stacking energy: -406.107
Base-Backbone interact. energy: -3.988
local terms energy: -498.184355
where:
bonds (distance) C4'-P energy: -110.706
bonds (distance) P-C4' energy: -110.050
flat angles C4'-P-C4' energy: -103.940
flat angles P-C4'-P energy: -66.875
tors. eta vs tors. theta energy: -106.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1195.488819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.488819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.488819 (E_RNA)
where:
Base-Base interactions energy: -747.888
where: short stacking energy: -321.712
Base-Backbone interact. energy: -1.512
local terms energy: -446.088646
where:
bonds (distance) C4'-P energy: -99.318
bonds (distance) P-C4' energy: -102.293
flat angles C4'-P-C4' energy: -100.564
flat angles P-C4'-P energy: -79.990
tors. eta vs tors. theta energy: -63.924
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: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1006.064942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.064942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.064942 (E_RNA)
where:
Base-Base interactions energy: -615.560
where: short stacking energy: -268.031
Base-Backbone interact. energy: -2.242
local terms energy: -388.262450
where:
bonds (distance) C4'-P energy: -97.237
bonds (distance) P-C4' energy: -104.678
flat angles C4'-P-C4' energy: -103.610
flat angles P-C4'-P energy: -45.382
tors. eta vs tors. theta energy: -37.356
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: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -428.039435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.039435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.039435 (E_RNA)
where:
Base-Base interactions energy: -94.314
where: short stacking energy: -73.725
Base-Backbone interact. energy: -1.591
local terms energy: -332.134518
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -117.947
flat angles C4'-P-C4' energy: -98.902
flat angles P-C4'-P energy: -65.774
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: 1, replica: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2467.631509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.631509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.631509 (E_RNA)
where:
Base-Base interactions energy: -1745.860
where: short stacking energy: -697.542
Base-Backbone interact. energy: 0.085
local terms energy: -721.856491
where:
bonds (distance) C4'-P energy: -129.348
bonds (distance) P-C4' energy: -126.665
flat angles C4'-P-C4' energy: -143.651
flat angles P-C4'-P energy: -104.230
tors. eta vs tors. theta energy: -217.962
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: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2296.412234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.412234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.412234 (E_RNA)
where:
Base-Base interactions energy: -1606.364
where: short stacking energy: -642.925
Base-Backbone interact. energy: -5.616
local terms energy: -684.431830
where:
bonds (distance) C4'-P energy: -131.757
bonds (distance) P-C4' energy: -118.697
flat angles C4'-P-C4' energy: -147.797
flat angles P-C4'-P energy: -91.399
tors. eta vs tors. theta energy: -194.782
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: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2221.681136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.681136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.681136 (E_RNA)
where:
Base-Base interactions energy: -1574.613
where: short stacking energy: -623.083
Base-Backbone interact. energy: -2.536
local terms energy: -644.531649
where:
bonds (distance) C4'-P energy: -106.738
bonds (distance) P-C4' energy: -122.679
flat angles C4'-P-C4' energy: -127.697
flat angles P-C4'-P energy: -94.886
tors. eta vs tors. theta energy: -192.532
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: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2152.139518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.139518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.139518 (E_RNA)
where:
Base-Base interactions energy: -1524.233
where: short stacking energy: -580.653
Base-Backbone interact. energy: -6.950
local terms energy: -620.955826
where:
bonds (distance) C4'-P energy: -101.693
bonds (distance) P-C4' energy: -124.710
flat angles C4'-P-C4' energy: -133.656
flat angles P-C4'-P energy: -90.391
tors. eta vs tors. theta energy: -170.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1986.021154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.021154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.021154 (E_RNA)
where:
Base-Base interactions energy: -1396.040
where: short stacking energy: -517.163
Base-Backbone interact. energy: 0.196
local terms energy: -590.176631
where:
bonds (distance) C4'-P energy: -114.181
bonds (distance) P-C4' energy: -116.855
flat angles C4'-P-C4' energy: -125.145
flat angles P-C4'-P energy: -82.189
tors. eta vs tors. theta energy: -151.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1938.138520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.138520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.138520 (E_RNA)
where:
Base-Base interactions energy: -1342.106
where: short stacking energy: -544.273
Base-Backbone interact. energy: -2.100
local terms energy: -593.932701
where:
bonds (distance) C4'-P energy: -112.856
bonds (distance) P-C4' energy: -113.729
flat angles C4'-P-C4' energy: -113.382
flat angles P-C4'-P energy: -85.388
tors. eta vs tors. theta energy: -168.578
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: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1552.571610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.571610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.571610 (E_RNA)
where:
Base-Base interactions energy: -1023.379
where: short stacking energy: -424.320
Base-Backbone interact. energy: 1.343
local terms energy: -530.535875
where:
bonds (distance) C4'-P energy: -109.449
bonds (distance) P-C4' energy: -109.339
flat angles C4'-P-C4' energy: -124.087
flat angles P-C4'-P energy: -71.520
tors. eta vs tors. theta energy: -116.141
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: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1220.633624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.633624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.633624 (E_RNA)
where:
Base-Base interactions energy: -746.960
where: short stacking energy: -343.855
Base-Backbone interact. energy: 2.467
local terms energy: -476.141220
where:
bonds (distance) C4'-P energy: -108.520
bonds (distance) P-C4' energy: -91.757
flat angles C4'-P-C4' energy: -127.519
flat angles P-C4'-P energy: -67.647
tors. eta vs tors. theta energy: -80.699
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: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1053.975970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.975970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.975970 (E_RNA)
where:
Base-Base interactions energy: -651.068
where: short stacking energy: -284.131
Base-Backbone interact. energy: -3.289
local terms energy: -399.619430
where:
bonds (distance) C4'-P energy: -99.148
bonds (distance) P-C4' energy: -113.928
flat angles C4'-P-C4' energy: -88.322
flat angles P-C4'-P energy: -49.800
tors. eta vs tors. theta energy: -48.422
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: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -439.081216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.081216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.081216 (E_RNA)
where:
Base-Base interactions energy: -115.206
where: short stacking energy: -83.008
Base-Backbone interact. energy: 2.556
local terms energy: -326.431467
where:
bonds (distance) C4'-P energy: -101.488
bonds (distance) P-C4' energy: -113.588
flat angles C4'-P-C4' energy: -77.215
flat angles P-C4'-P energy: -63.771
tors. eta vs tors. theta energy: 29.631
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: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2465.946120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.946120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.946120 (E_RNA)
where:
Base-Base interactions energy: -1750.527
where: short stacking energy: -706.035
Base-Backbone interact. energy: -1.229
local terms energy: -714.190018
where:
bonds (distance) C4'-P energy: -131.870
bonds (distance) P-C4' energy: -116.471
flat angles C4'-P-C4' energy: -155.908
flat angles P-C4'-P energy: -103.869
tors. eta vs tors. theta energy: -206.071
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: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2336.095516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.095516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.095516 (E_RNA)
where:
Base-Base interactions energy: -1647.100
where: short stacking energy: -664.257
Base-Backbone interact. energy: -1.563
local terms energy: -687.432792
where:
bonds (distance) C4'-P energy: -125.441
bonds (distance) P-C4' energy: -109.717
flat angles C4'-P-C4' energy: -149.290
flat angles P-C4'-P energy: -96.347
tors. eta vs tors. theta energy: -206.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2235.507756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.507756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.507756 (E_RNA)
where:
Base-Base interactions energy: -1585.598
where: short stacking energy: -642.308
Base-Backbone interact. energy: -1.388
local terms energy: -648.521846
where:
bonds (distance) C4'-P energy: -120.366
bonds (distance) P-C4' energy: -116.351
flat angles C4'-P-C4' energy: -141.296
flat angles P-C4'-P energy: -80.273
tors. eta vs tors. theta energy: -190.236
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: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2157.633911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.633911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.633911 (E_RNA)
where:
Base-Base interactions energy: -1521.623
where: short stacking energy: -556.517
Base-Backbone interact. energy: -3.127
local terms energy: -632.884227
where:
bonds (distance) C4'-P energy: -102.407
bonds (distance) P-C4' energy: -111.955
flat angles C4'-P-C4' energy: -151.830
flat angles P-C4'-P energy: -94.586
tors. eta vs tors. theta energy: -172.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1970.232464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.232464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.232464 (E_RNA)
where:
Base-Base interactions energy: -1341.357
where: short stacking energy: -561.149
Base-Backbone interact. energy: -0.849
local terms energy: -628.027083
where:
bonds (distance) C4'-P energy: -109.398
bonds (distance) P-C4' energy: -120.807
flat angles C4'-P-C4' energy: -132.573
flat angles P-C4'-P energy: -95.682
tors. eta vs tors. theta energy: -169.568
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: 388
Temperature: 1.150000
Total energy: -1912.853940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.853940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.853940 (E_RNA)
where:
Base-Base interactions energy: -1369.084
where: short stacking energy: -532.717
Base-Backbone interact. energy: 9.378
local terms energy: -553.147857
where:
bonds (distance) C4'-P energy: -99.620
bonds (distance) P-C4' energy: -99.171
flat angles C4'-P-C4' energy: -114.269
flat angles P-C4'-P energy: -87.839
tors. eta vs tors. theta energy: -152.248
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: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1578.392903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.392903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.392903 (E_RNA)
where:
Base-Base interactions energy: -1067.106
where: short stacking energy: -446.210
Base-Backbone interact. energy: -2.915
local terms energy: -508.372012
where:
bonds (distance) C4'-P energy: -105.056
bonds (distance) P-C4' energy: -116.564
flat angles C4'-P-C4' energy: -88.654
flat angles P-C4'-P energy: -67.894
tors. eta vs tors. theta energy: -130.203
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1169.417922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.417922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.417922 (E_RNA)
where:
Base-Base interactions energy: -709.180
where: short stacking energy: -327.935
Base-Backbone interact. energy: -3.178
local terms energy: -457.059521
where:
bonds (distance) C4'-P energy: -104.309
bonds (distance) P-C4' energy: -102.890
flat angles C4'-P-C4' energy: -96.714
flat angles P-C4'-P energy: -89.316
tors. eta vs tors. theta energy: -63.830
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: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1066.814574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.814574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.814574 (E_RNA)
where:
Base-Base interactions energy: -629.644
where: short stacking energy: -311.512
Base-Backbone interact. energy: 3.984
local terms energy: -441.154730
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -105.059
flat angles C4'-P-C4' energy: -98.793
flat angles P-C4'-P energy: -63.464
tors. eta vs tors. theta energy: -68.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -420.777217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.777217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.777217 (E_RNA)
where:
Base-Base interactions energy: -130.726
where: short stacking energy: -105.552
Base-Backbone interact. energy: 6.344
local terms energy: -296.395192
where:
bonds (distance) C4'-P energy: -107.747
bonds (distance) P-C4' energy: -114.366
flat angles C4'-P-C4' energy: -84.280
flat angles P-C4'-P energy: -51.234
tors. eta vs tors. theta energy: 61.232
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: 389
Temperature: 0.900000
Total energy: -2492.076352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.076352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.076352 (E_RNA)
where:
Base-Base interactions energy: -1762.593
where: short stacking energy: -708.879
Base-Backbone interact. energy: -1.520
local terms energy: -727.962959
where:
bonds (distance) C4'-P energy: -127.706
bonds (distance) P-C4' energy: -113.119
flat angles C4'-P-C4' energy: -157.731
flat angles P-C4'-P energy: -113.422
tors. eta vs tors. theta energy: -215.985
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2351.561773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.561773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.561773 (E_RNA)
where:
Base-Base interactions energy: -1687.429
where: short stacking energy: -650.031
Base-Backbone interact. energy: -0.327
local terms energy: -663.806239
where:
bonds (distance) C4'-P energy: -112.195
bonds (distance) P-C4' energy: -118.389
flat angles C4'-P-C4' energy: -143.794
flat angles P-C4'-P energy: -92.939
tors. eta vs tors. theta energy: -196.489
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: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2237.041264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.041264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.041264 (E_RNA)
where:
Base-Base interactions energy: -1590.375
where: short stacking energy: -638.179
Base-Backbone interact. energy: -3.371
local terms energy: -643.295047
where:
bonds (distance) C4'-P energy: -102.992
bonds (distance) P-C4' energy: -111.232
flat angles C4'-P-C4' energy: -142.173
flat angles P-C4'-P energy: -88.241
tors. eta vs tors. theta energy: -198.657
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: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2135.865362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.865362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.865362 (E_RNA)
where:
Base-Base interactions energy: -1494.872
where: short stacking energy: -573.263
Base-Backbone interact. energy: -2.384
local terms energy: -638.609223
where:
bonds (distance) C4'-P energy: -112.473
bonds (distance) P-C4' energy: -115.755
flat angles C4'-P-C4' energy: -139.218
flat angles P-C4'-P energy: -102.767
tors. eta vs tors. theta energy: -168.397
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: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1982.911641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.911641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.911641 (E_RNA)
where:
Base-Base interactions energy: -1357.753
where: short stacking energy: -566.608
Base-Backbone interact. energy: -2.783
local terms energy: -622.375543
where:
bonds (distance) C4'-P energy: -115.970
bonds (distance) P-C4' energy: -105.841
flat angles C4'-P-C4' energy: -134.148
flat angles P-C4'-P energy: -87.982
tors. eta vs tors. theta energy: -178.434
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: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1862.370914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.370914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.370914 (E_RNA)
where:
Base-Base interactions energy: -1288.968
where: short stacking energy: -471.100
Base-Backbone interact. energy: -2.923
local terms energy: -570.479850
where:
bonds (distance) C4'-P energy: -95.035
bonds (distance) P-C4' energy: -114.406
flat angles C4'-P-C4' energy: -130.869
flat angles P-C4'-P energy: -87.711
tors. eta vs tors. theta energy: -142.459
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: 389
Temperature: 1.200000
Total energy: -1587.620321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.620321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.620321 (E_RNA)
where:
Base-Base interactions energy: -1060.140
where: short stacking energy: -420.505
Base-Backbone interact. energy: -0.182
local terms energy: -527.297707
where:
bonds (distance) C4'-P energy: -114.347
bonds (distance) P-C4' energy: -106.839
flat angles C4'-P-C4' energy: -110.620
flat angles P-C4'-P energy: -84.545
tors. eta vs tors. theta energy: -110.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1181.729163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.729163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.729163 (E_RNA)
where:
Base-Base interactions energy: -737.582
where: short stacking energy: -332.025
Base-Backbone interact. energy: 2.420
local terms energy: -446.567458
where:
bonds (distance) C4'-P energy: -101.038
bonds (distance) P-C4' energy: -102.693
flat angles C4'-P-C4' energy: -104.976
flat angles P-C4'-P energy: -58.590
tors. eta vs tors. theta energy: -79.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1072.716848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.716848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.716848 (E_RNA)
where:
Base-Base interactions energy: -675.682
where: short stacking energy: -289.957
Base-Backbone interact. energy: 1.223
local terms energy: -398.258182
where:
bonds (distance) C4'-P energy: -105.173
bonds (distance) P-C4' energy: -94.147
flat angles C4'-P-C4' energy: -93.481
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: -51.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -454.082682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.082682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.082682 (E_RNA)
where:
Base-Base interactions energy: -129.184
where: short stacking energy: -126.627
Base-Backbone interact. energy: 0.407
local terms energy: -325.305107
where:
bonds (distance) C4'-P energy: -109.809
bonds (distance) P-C4' energy: -99.408
flat angles C4'-P-C4' energy: -98.138
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: 18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2491.166817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.166817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.166817 (E_RNA)
where:
Base-Base interactions energy: -1746.681
where: short stacking energy: -698.807
Base-Backbone interact. energy: -1.204
local terms energy: -743.282342
where:
bonds (distance) C4'-P energy: -131.673
bonds (distance) P-C4' energy: -124.886
flat angles C4'-P-C4' energy: -151.429
flat angles P-C4'-P energy: -116.665
tors. eta vs tors. theta energy: -218.629
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: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2335.385601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.385601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.385601 (E_RNA)
where:
Base-Base interactions energy: -1653.979
where: short stacking energy: -636.682
Base-Backbone interact. energy: -2.303
local terms energy: -679.103589
where:
bonds (distance) C4'-P energy: -126.675
bonds (distance) P-C4' energy: -127.386
flat angles C4'-P-C4' energy: -132.035
flat angles P-C4'-P energy: -89.332
tors. eta vs tors. theta energy: -203.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2243.409454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.409454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.409454 (E_RNA)
where:
Base-Base interactions energy: -1546.842
where: short stacking energy: -626.872
Base-Backbone interact. energy: -4.898
local terms energy: -691.669633
where:
bonds (distance) C4'-P energy: -121.170
bonds (distance) P-C4' energy: -121.147
flat angles C4'-P-C4' energy: -142.681
flat angles P-C4'-P energy: -106.942
tors. eta vs tors. theta energy: -199.730
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: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2140.871572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.871572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.871572 (E_RNA)
where:
Base-Base interactions energy: -1509.495
where: short stacking energy: -567.550
Base-Backbone interact. energy: -3.247
local terms energy: -628.129865
where:
bonds (distance) C4'-P energy: -117.603
bonds (distance) P-C4' energy: -127.156
flat angles C4'-P-C4' energy: -128.445
flat angles P-C4'-P energy: -85.733
tors. eta vs tors. theta energy: -169.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1972.468079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.468079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.468079 (E_RNA)
where:
Base-Base interactions energy: -1384.127
where: short stacking energy: -579.999
Base-Backbone interact. energy: -0.278
local terms energy: -588.063161
where:
bonds (distance) C4'-P energy: -108.430
bonds (distance) P-C4' energy: -97.442
flat angles C4'-P-C4' energy: -130.289
flat angles P-C4'-P energy: -83.817
tors. eta vs tors. theta energy: -168.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1825.469766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.469766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.469766 (E_RNA)
where:
Base-Base interactions energy: -1285.137
where: short stacking energy: -482.992
Base-Backbone interact. energy: 2.632
local terms energy: -542.964152
where:
bonds (distance) C4'-P energy: -96.253
bonds (distance) P-C4' energy: -104.593
flat angles C4'-P-C4' energy: -121.721
flat angles P-C4'-P energy: -81.078
tors. eta vs tors. theta energy: -139.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1588.233664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.233664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.233664 (E_RNA)
where:
Base-Base interactions energy: -1072.295
where: short stacking energy: -443.771
Base-Backbone interact. energy: -2.356
local terms energy: -513.582674
where:
bonds (distance) C4'-P energy: -93.181
bonds (distance) P-C4' energy: -105.145
flat angles C4'-P-C4' energy: -115.790
flat angles P-C4'-P energy: -76.915
tors. eta vs tors. theta energy: -122.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1199.775700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.775700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.775700 (E_RNA)
where:
Base-Base interactions energy: -738.104
where: short stacking energy: -311.002
Base-Backbone interact. energy: -1.053
local terms energy: -460.618465
where:
bonds (distance) C4'-P energy: -115.464
bonds (distance) P-C4' energy: -107.095
flat angles C4'-P-C4' energy: -119.398
flat angles P-C4'-P energy: -57.482
tors. eta vs tors. theta energy: -61.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1097.694655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.694655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.694655 (E_RNA)
where:
Base-Base interactions energy: -661.294
where: short stacking energy: -300.009
Base-Backbone interact. energy: -2.038
local terms energy: -434.362620
where:
bonds (distance) C4'-P energy: -101.910
bonds (distance) P-C4' energy: -112.704
flat angles C4'-P-C4' energy: -116.017
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -60.142
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: 390
Temperature: 1.350000
Total energy: -485.930971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.930971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.930971 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -116.003
Base-Backbone interact. energy: -0.182
local terms energy: -348.906482
where:
bonds (distance) C4'-P energy: -100.514
bonds (distance) P-C4' energy: -120.796
flat angles C4'-P-C4' energy: -79.641
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: 19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2510.563997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.563997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.563997 (E_RNA)
where:
Base-Base interactions energy: -1772.601
where: short stacking energy: -719.899
Base-Backbone interact. energy: -0.259
local terms energy: -737.704284
where:
bonds (distance) C4'-P energy: -129.967
bonds (distance) P-C4' energy: -124.692
flat angles C4'-P-C4' energy: -145.588
flat angles P-C4'-P energy: -117.812
tors. eta vs tors. theta energy: -219.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2300.284607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.284607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.284607 (E_RNA)
where:
Base-Base interactions energy: -1647.002
where: short stacking energy: -652.293
Base-Backbone interact. energy: -3.462
local terms energy: -649.820594
where:
bonds (distance) C4'-P energy: -114.543
bonds (distance) P-C4' energy: -108.438
flat angles C4'-P-C4' energy: -142.743
flat angles P-C4'-P energy: -83.443
tors. eta vs tors. theta energy: -200.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2281.620272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.620272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.620272 (E_RNA)
where:
Base-Base interactions energy: -1604.048
where: short stacking energy: -634.955
Base-Backbone interact. energy: -3.193
local terms energy: -674.379297
where:
bonds (distance) C4'-P energy: -119.206
bonds (distance) P-C4' energy: -125.873
flat angles C4'-P-C4' energy: -146.175
flat angles P-C4'-P energy: -96.736
tors. eta vs tors. theta energy: -186.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2128.535021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.535021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.535021 (E_RNA)
where:
Base-Base interactions energy: -1500.136
where: short stacking energy: -585.180
Base-Backbone interact. energy: 0.876
local terms energy: -629.274526
where:
bonds (distance) C4'-P energy: -110.672
bonds (distance) P-C4' energy: -125.187
flat angles C4'-P-C4' energy: -121.470
flat angles P-C4'-P energy: -94.654
tors. eta vs tors. theta energy: -177.291
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: 391
Temperature: 1.100000
Total energy: -1989.440804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.440804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.440804 (E_RNA)
where:
Base-Base interactions energy: -1406.857
where: short stacking energy: -553.984
Base-Backbone interact. energy: -1.756
local terms energy: -580.827913
where:
bonds (distance) C4'-P energy: -108.845
bonds (distance) P-C4' energy: -101.747
flat angles C4'-P-C4' energy: -130.328
flat angles P-C4'-P energy: -66.713
tors. eta vs tors. theta energy: -173.196
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: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1805.643431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.643431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.643431 (E_RNA)
where:
Base-Base interactions energy: -1243.383
where: short stacking energy: -476.069
Base-Backbone interact. energy: 2.161
local terms energy: -564.421392
where:
bonds (distance) C4'-P energy: -113.508
bonds (distance) P-C4' energy: -107.767
flat angles C4'-P-C4' energy: -126.208
flat angles P-C4'-P energy: -82.048
tors. eta vs tors. theta energy: -134.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1561.157432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.157432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.157432 (E_RNA)
where:
Base-Base interactions energy: -1011.262
where: short stacking energy: -397.653
Base-Backbone interact. energy: -4.343
local terms energy: -545.553039
where:
bonds (distance) C4'-P energy: -106.369
bonds (distance) P-C4' energy: -116.870
flat angles C4'-P-C4' energy: -114.470
flat angles P-C4'-P energy: -91.481
tors. eta vs tors. theta energy: -116.364
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: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1245.214902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.214902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.214902 (E_RNA)
where:
Base-Base interactions energy: -773.050
where: short stacking energy: -334.254
Base-Backbone interact. energy: -1.859
local terms energy: -470.305972
where:
bonds (distance) C4'-P energy: -96.725
bonds (distance) P-C4' energy: -117.701
flat angles C4'-P-C4' energy: -126.144
flat angles P-C4'-P energy: -58.163
tors. eta vs tors. theta energy: -71.573
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: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1091.510814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.510814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.510814 (E_RNA)
where:
Base-Base interactions energy: -649.732
where: short stacking energy: -302.518
Base-Backbone interact. energy: -1.627
local terms energy: -440.152306
where:
bonds (distance) C4'-P energy: -100.639
bonds (distance) P-C4' energy: -95.914
flat angles C4'-P-C4' energy: -111.302
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -64.757
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: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -452.083467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.083467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.083467 (E_RNA)
where:
Base-Base interactions energy: -159.875
where: short stacking energy: -134.485
Base-Backbone interact. energy: 4.130
local terms energy: -296.338299
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -98.768
flat angles C4'-P-C4' energy: -85.876
flat angles P-C4'-P energy: -58.004
tors. eta vs tors. theta energy: 23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2487.624973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.624973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.624973 (E_RNA)
where:
Base-Base interactions energy: -1766.066
where: short stacking energy: -708.088
Base-Backbone interact. energy: 1.024
local terms energy: -722.582707
where:
bonds (distance) C4'-P energy: -119.566
bonds (distance) P-C4' energy: -123.600
flat angles C4'-P-C4' energy: -156.282
flat angles P-C4'-P energy: -102.776
tors. eta vs tors. theta energy: -220.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2315.597808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.597808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.597808 (E_RNA)
where:
Base-Base interactions energy: -1649.617
where: short stacking energy: -652.195
Base-Backbone interact. energy: -4.026
local terms energy: -661.954764
where:
bonds (distance) C4'-P energy: -112.088
bonds (distance) P-C4' energy: -118.245
flat angles C4'-P-C4' energy: -142.420
flat angles P-C4'-P energy: -87.191
tors. eta vs tors. theta energy: -202.011
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2280.659638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.659638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.659638 (E_RNA)
where:
Base-Base interactions energy: -1617.176
where: short stacking energy: -630.500
Base-Backbone interact. energy: -0.547
local terms energy: -662.936312
where:
bonds (distance) C4'-P energy: -108.938
bonds (distance) P-C4' energy: -109.587
flat angles C4'-P-C4' energy: -146.176
flat angles P-C4'-P energy: -101.699
tors. eta vs tors. theta energy: -196.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2152.799843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.799843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.799843 (E_RNA)
where:
Base-Base interactions energy: -1507.934
where: short stacking energy: -591.059
Base-Backbone interact. energy: 2.750
local terms energy: -647.615480
where:
bonds (distance) C4'-P energy: -125.659
bonds (distance) P-C4' energy: -126.618
flat angles C4'-P-C4' energy: -141.784
flat angles P-C4'-P energy: -84.295
tors. eta vs tors. theta energy: -169.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2033.614580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.614580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.614580 (E_RNA)
where:
Base-Base interactions energy: -1417.835
where: short stacking energy: -558.730
Base-Backbone interact. energy: 2.616
local terms energy: -618.396190
where:
bonds (distance) C4'-P energy: -115.991
bonds (distance) P-C4' energy: -106.834
flat angles C4'-P-C4' energy: -133.109
flat angles P-C4'-P energy: -90.022
tors. eta vs tors. theta energy: -172.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1847.658765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.658765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.658765 (E_RNA)
where:
Base-Base interactions energy: -1276.454
where: short stacking energy: -485.276
Base-Backbone interact. energy: -2.449
local terms energy: -568.755824
where:
bonds (distance) C4'-P energy: -99.226
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -124.400
flat angles P-C4'-P energy: -71.883
tors. eta vs tors. theta energy: -146.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1628.684524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.684524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.684524 (E_RNA)
where:
Base-Base interactions energy: -1120.655
where: short stacking energy: -459.365
Base-Backbone interact. energy: -0.759
local terms energy: -507.270581
where:
bonds (distance) C4'-P energy: -97.880
bonds (distance) P-C4' energy: -80.570
flat angles C4'-P-C4' energy: -123.891
flat angles P-C4'-P energy: -84.345
tors. eta vs tors. theta energy: -120.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1315.482291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.482291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.482291 (E_RNA)
where:
Base-Base interactions energy: -831.397
where: short stacking energy: -359.722
Base-Backbone interact. energy: -0.655
local terms energy: -483.430352
where:
bonds (distance) C4'-P energy: -109.908
bonds (distance) P-C4' energy: -109.798
flat angles C4'-P-C4' energy: -117.493
flat angles P-C4'-P energy: -63.325
tors. eta vs tors. theta energy: -82.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1106.223185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.223185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.223185 (E_RNA)
where:
Base-Base interactions energy: -702.129
where: short stacking energy: -292.267
Base-Backbone interact. energy: 2.957
local terms energy: -407.050797
where:
bonds (distance) C4'-P energy: -93.598
bonds (distance) P-C4' energy: -112.024
flat angles C4'-P-C4' energy: -82.798
flat angles P-C4'-P energy: -52.063
tors. eta vs tors. theta energy: -66.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -433.021598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.021598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.021598 (E_RNA)
where:
Base-Base interactions energy: -153.582
where: short stacking energy: -138.387
Base-Backbone interact. energy: 4.143
local terms energy: -283.582429
where:
bonds (distance) C4'-P energy: -83.314
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -82.641
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: 16.307
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: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2506.704744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.704744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.704744 (E_RNA)
where:
Base-Base interactions energy: -1762.258
where: short stacking energy: -707.864
Base-Backbone interact. energy: -1.842
local terms energy: -742.604681
where:
bonds (distance) C4'-P energy: -139.870
bonds (distance) P-C4' energy: -128.865
flat angles C4'-P-C4' energy: -147.977
flat angles P-C4'-P energy: -102.878
tors. eta vs tors. theta energy: -223.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2277.355372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.355372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.355372 (E_RNA)
where:
Base-Base interactions energy: -1566.359
where: short stacking energy: -608.777
Base-Backbone interact. energy: -3.311
local terms energy: -707.685594
where:
bonds (distance) C4'-P energy: -132.902
bonds (distance) P-C4' energy: -125.333
flat angles C4'-P-C4' energy: -146.357
flat angles P-C4'-P energy: -104.729
tors. eta vs tors. theta energy: -198.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2250.687718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.687718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.687718 (E_RNA)
where:
Base-Base interactions energy: -1569.421
where: short stacking energy: -615.063
Base-Backbone interact. energy: 0.408
local terms energy: -681.675040
where:
bonds (distance) C4'-P energy: -125.851
bonds (distance) P-C4' energy: -125.449
flat angles C4'-P-C4' energy: -137.295
flat angles P-C4'-P energy: -100.609
tors. eta vs tors. theta energy: -192.470
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: 393
Temperature: 1.050000
Total energy: -2192.276151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.276151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.276151 (E_RNA)
where:
Base-Base interactions energy: -1564.531
where: short stacking energy: -621.050
Base-Backbone interact. energy: -0.766
local terms energy: -626.978787
where:
bonds (distance) C4'-P energy: -113.328
bonds (distance) P-C4' energy: -107.807
flat angles C4'-P-C4' energy: -141.248
flat angles P-C4'-P energy: -93.647
tors. eta vs tors. theta energy: -170.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2016.875896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.875896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.875896 (E_RNA)
where:
Base-Base interactions energy: -1427.508
where: short stacking energy: -567.381
Base-Backbone interact. energy: -1.929
local terms energy: -587.438402
where:
bonds (distance) C4'-P energy: -105.426
bonds (distance) P-C4' energy: -125.151
flat angles C4'-P-C4' energy: -100.189
flat angles P-C4'-P energy: -80.378
tors. eta vs tors. theta energy: -176.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1889.518950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.518950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.518950 (E_RNA)
where:
Base-Base interactions energy: -1332.644
where: short stacking energy: -504.522
Base-Backbone interact. energy: 3.112
local terms energy: -559.987669
where:
bonds (distance) C4'-P energy: -93.543
bonds (distance) P-C4' energy: -107.905
flat angles C4'-P-C4' energy: -128.857
flat angles P-C4'-P energy: -79.740
tors. eta vs tors. theta energy: -149.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1615.918174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.918174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.918174 (E_RNA)
where:
Base-Base interactions energy: -1091.955
where: short stacking energy: -465.149
Base-Backbone interact. energy: -2.418
local terms energy: -521.545862
where:
bonds (distance) C4'-P energy: -90.415
bonds (distance) P-C4' energy: -95.549
flat angles C4'-P-C4' energy: -123.335
flat angles P-C4'-P energy: -70.927
tors. eta vs tors. theta energy: -141.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1297.159852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.159852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.159852 (E_RNA)
where:
Base-Base interactions energy: -825.972
where: short stacking energy: -361.044
Base-Backbone interact. energy: 1.136
local terms energy: -472.324221
where:
bonds (distance) C4'-P energy: -98.299
bonds (distance) P-C4' energy: -115.447
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -76.245
tors. eta vs tors. theta energy: -78.533
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: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1113.084776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.084776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.084776 (E_RNA)
where:
Base-Base interactions energy: -678.166
where: short stacking energy: -299.981
Base-Backbone interact. energy: 0.122
local terms energy: -435.041306
where:
bonds (distance) C4'-P energy: -119.909
bonds (distance) P-C4' energy: -93.637
flat angles C4'-P-C4' energy: -95.597
flat angles P-C4'-P energy: -69.493
tors. eta vs tors. theta energy: -56.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -437.418175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.418175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.418175 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -124.726
Base-Backbone interact. energy: 4.459
local terms energy: -296.561801
where:
bonds (distance) C4'-P energy: -87.581
bonds (distance) P-C4' energy: -105.186
flat angles C4'-P-C4' energy: -80.809
flat angles P-C4'-P energy: -46.767
tors. eta vs tors. theta energy: 23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2508.478750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.478750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.478750 (E_RNA)
where:
Base-Base interactions energy: -1786.028
where: short stacking energy: -701.982
Base-Backbone interact. energy: -0.882
local terms energy: -721.568335
where:
bonds (distance) C4'-P energy: -126.279
bonds (distance) P-C4' energy: -122.213
flat angles C4'-P-C4' energy: -155.922
flat angles P-C4'-P energy: -97.244
tors. eta vs tors. theta energy: -219.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2318.697558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.697558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.697558 (E_RNA)
where:
Base-Base interactions energy: -1624.295
where: short stacking energy: -641.414
Base-Backbone interact. energy: -3.570
local terms energy: -690.833097
where:
bonds (distance) C4'-P energy: -117.413
bonds (distance) P-C4' energy: -120.792
flat angles C4'-P-C4' energy: -152.764
flat angles P-C4'-P energy: -97.512
tors. eta vs tors. theta energy: -202.352
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: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2260.635618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.635618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.635618 (E_RNA)
where:
Base-Base interactions energy: -1585.746
where: short stacking energy: -607.831
Base-Backbone interact. energy: -1.020
local terms energy: -673.869116
where:
bonds (distance) C4'-P energy: -118.551
bonds (distance) P-C4' energy: -128.621
flat angles C4'-P-C4' energy: -139.142
flat angles P-C4'-P energy: -102.504
tors. eta vs tors. theta energy: -185.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2153.199573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.199573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.199573 (E_RNA)
where:
Base-Base interactions energy: -1511.661
where: short stacking energy: -611.385
Base-Backbone interact. energy: 7.752
local terms energy: -649.290139
where:
bonds (distance) C4'-P energy: -118.233
bonds (distance) P-C4' energy: -113.506
flat angles C4'-P-C4' energy: -141.994
flat angles P-C4'-P energy: -86.034
tors. eta vs tors. theta energy: -189.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1982.620990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.620990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.620990 (E_RNA)
where:
Base-Base interactions energy: -1369.802
where: short stacking energy: -564.242
Base-Backbone interact. energy: -3.043
local terms energy: -609.775990
where:
bonds (distance) C4'-P energy: -92.620
bonds (distance) P-C4' energy: -122.514
flat angles C4'-P-C4' energy: -131.686
flat angles P-C4'-P energy: -88.502
tors. eta vs tors. theta energy: -174.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1847.677562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.677562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.677562 (E_RNA)
where:
Base-Base interactions energy: -1298.650
where: short stacking energy: -498.352
Base-Backbone interact. energy: 2.586
local terms energy: -551.613372
where:
bonds (distance) C4'-P energy: -90.617
bonds (distance) P-C4' energy: -123.108
flat angles C4'-P-C4' energy: -126.224
flat angles P-C4'-P energy: -82.795
tors. eta vs tors. theta energy: -128.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1644.668320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.668320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.668320 (E_RNA)
where:
Base-Base interactions energy: -1096.237
where: short stacking energy: -459.135
Base-Backbone interact. energy: 0.308
local terms energy: -548.739680
where:
bonds (distance) C4'-P energy: -111.315
bonds (distance) P-C4' energy: -115.594
flat angles C4'-P-C4' energy: -107.741
flat angles P-C4'-P energy: -79.435
tors. eta vs tors. theta energy: -134.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1279.754073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.754073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.754073 (E_RNA)
where:
Base-Base interactions energy: -795.138
where: short stacking energy: -348.827
Base-Backbone interact. energy: 1.121
local terms energy: -485.737552
where:
bonds (distance) C4'-P energy: -101.620
bonds (distance) P-C4' energy: -108.974
flat angles C4'-P-C4' energy: -116.902
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -91.025
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: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1090.036284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.036284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.036284 (E_RNA)
where:
Base-Base interactions energy: -667.732
where: short stacking energy: -306.857
Base-Backbone interact. energy: 1.151
local terms energy: -423.455556
where:
bonds (distance) C4'-P energy: -78.218
bonds (distance) P-C4' energy: -108.449
flat angles C4'-P-C4' energy: -97.297
flat angles P-C4'-P energy: -76.512
tors. eta vs tors. theta energy: -62.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -449.510904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.510904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.510904 (E_RNA)
where:
Base-Base interactions energy: -138.872
where: short stacking energy: -121.757
Base-Backbone interact. energy: 1.191
local terms energy: -311.830024
where:
bonds (distance) C4'-P energy: -101.459
bonds (distance) P-C4' energy: -110.540
flat angles C4'-P-C4' energy: -66.971
flat angles P-C4'-P energy: -55.835
tors. eta vs tors. theta energy: 22.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2523.633694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.633694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.633694 (E_RNA)
where:
Base-Base interactions energy: -1767.424
where: short stacking energy: -711.330
Base-Backbone interact. energy: -1.364
local terms energy: -754.845295
where:
bonds (distance) C4'-P energy: -127.058
bonds (distance) P-C4' energy: -136.771
flat angles C4'-P-C4' energy: -151.382
flat angles P-C4'-P energy: -114.995
tors. eta vs tors. theta energy: -224.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2368.295887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.295887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.295887 (E_RNA)
where:
Base-Base interactions energy: -1672.444
where: short stacking energy: -664.340
Base-Backbone interact. energy: -3.301
local terms energy: -692.550825
where:
bonds (distance) C4'-P energy: -113.702
bonds (distance) P-C4' energy: -131.238
flat angles C4'-P-C4' energy: -143.094
flat angles P-C4'-P energy: -94.609
tors. eta vs tors. theta energy: -209.909
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: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2257.941699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.941699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.941699 (E_RNA)
where:
Base-Base interactions energy: -1603.798
where: short stacking energy: -629.449
Base-Backbone interact. energy: -4.336
local terms energy: -649.807797
where:
bonds (distance) C4'-P energy: -109.051
bonds (distance) P-C4' energy: -120.778
flat angles C4'-P-C4' energy: -143.531
flat angles P-C4'-P energy: -88.005
tors. eta vs tors. theta energy: -188.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2147.765265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.765265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.765265 (E_RNA)
where:
Base-Base interactions energy: -1503.881
where: short stacking energy: -587.854
Base-Backbone interact. energy: 2.100
local terms energy: -645.983497
where:
bonds (distance) C4'-P energy: -121.323
bonds (distance) P-C4' energy: -122.557
flat angles C4'-P-C4' energy: -125.893
flat angles P-C4'-P energy: -93.370
tors. eta vs tors. theta energy: -182.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2029.974955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.974955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.974955 (E_RNA)
where:
Base-Base interactions energy: -1416.580
where: short stacking energy: -577.149
Base-Backbone interact. energy: 0.625
local terms energy: -614.019717
where:
bonds (distance) C4'-P energy: -112.501
bonds (distance) P-C4' energy: -108.162
flat angles C4'-P-C4' energy: -132.393
flat angles P-C4'-P energy: -84.983
tors. eta vs tors. theta energy: -175.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1802.801884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.801884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.801884 (E_RNA)
where:
Base-Base interactions energy: -1255.096
where: short stacking energy: -475.110
Base-Backbone interact. energy: -2.731
local terms energy: -544.974833
where:
bonds (distance) C4'-P energy: -105.799
bonds (distance) P-C4' energy: -104.675
flat angles C4'-P-C4' energy: -115.599
flat angles P-C4'-P energy: -89.459
tors. eta vs tors. theta energy: -129.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1684.920460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.920460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.920460 (E_RNA)
where:
Base-Base interactions energy: -1138.062
where: short stacking energy: -473.946
Base-Backbone interact. energy: 1.189
local terms energy: -548.047198
where:
bonds (distance) C4'-P energy: -110.184
bonds (distance) P-C4' energy: -107.916
flat angles C4'-P-C4' energy: -120.955
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -131.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1122.773502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.773502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.773502 (E_RNA)
where:
Base-Base interactions energy: -661.998
where: short stacking energy: -294.768
Base-Backbone interact. energy: -4.003
local terms energy: -456.772511
where:
bonds (distance) C4'-P energy: -98.876
bonds (distance) P-C4' energy: -114.890
flat angles C4'-P-C4' energy: -107.218
flat angles P-C4'-P energy: -68.398
tors. eta vs tors. theta energy: -67.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1167.771741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.771741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.771741 (E_RNA)
where:
Base-Base interactions energy: -728.064
where: short stacking energy: -312.061
Base-Backbone interact. energy: 2.131
local terms energy: -441.837978
where:
bonds (distance) C4'-P energy: -112.988
bonds (distance) P-C4' energy: -97.804
flat angles C4'-P-C4' energy: -98.151
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -71.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -439.101126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.101126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.101126 (E_RNA)
where:
Base-Base interactions energy: -127.623
where: short stacking energy: -115.328
Base-Backbone interact. energy: -3.962
local terms energy: -307.516120
where:
bonds (distance) C4'-P energy: -89.022
bonds (distance) P-C4' energy: -100.556
flat angles C4'-P-C4' energy: -83.211
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: 13.380
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: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2523.448307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.448307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.448307 (E_RNA)
where:
Base-Base interactions energy: -1788.793
where: short stacking energy: -706.727
Base-Backbone interact. energy: -2.556
local terms energy: -732.099238
where:
bonds (distance) C4'-P energy: -118.615
bonds (distance) P-C4' energy: -125.383
flat angles C4'-P-C4' energy: -153.961
flat angles P-C4'-P energy: -109.314
tors. eta vs tors. theta energy: -224.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2353.511752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.511752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.511752 (E_RNA)
where:
Base-Base interactions energy: -1642.063
where: short stacking energy: -646.668
Base-Backbone interact. energy: -1.472
local terms energy: -709.977397
where:
bonds (distance) C4'-P energy: -121.939
bonds (distance) P-C4' energy: -132.419
flat angles C4'-P-C4' energy: -147.043
flat angles P-C4'-P energy: -97.537
tors. eta vs tors. theta energy: -211.039
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: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2269.478914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.478914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.478914 (E_RNA)
where:
Base-Base interactions energy: -1610.100
where: short stacking energy: -616.998
Base-Backbone interact. energy: -3.592
local terms energy: -655.786468
where:
bonds (distance) C4'-P energy: -127.948
bonds (distance) P-C4' energy: -112.551
flat angles C4'-P-C4' energy: -133.251
flat angles P-C4'-P energy: -92.371
tors. eta vs tors. theta energy: -189.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2128.624100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.624100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.624100 (E_RNA)
where:
Base-Base interactions energy: -1496.934
where: short stacking energy: -564.590
Base-Backbone interact. energy: -0.895
local terms energy: -630.795311
where:
bonds (distance) C4'-P energy: -99.255
bonds (distance) P-C4' energy: -117.901
flat angles C4'-P-C4' energy: -135.842
flat angles P-C4'-P energy: -103.288
tors. eta vs tors. theta energy: -174.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2001.581826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.581826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.581826 (E_RNA)
where:
Base-Base interactions energy: -1398.576
where: short stacking energy: -572.683
Base-Backbone interact. energy: -3.394
local terms energy: -599.611194
where:
bonds (distance) C4'-P energy: -89.184
bonds (distance) P-C4' energy: -123.517
flat angles C4'-P-C4' energy: -128.912
flat angles P-C4'-P energy: -81.211
tors. eta vs tors. theta energy: -176.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1864.503692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.503692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.503692 (E_RNA)
where:
Base-Base interactions energy: -1282.322
where: short stacking energy: -499.204
Base-Backbone interact. energy: -2.082
local terms energy: -580.099073
where:
bonds (distance) C4'-P energy: -102.960
bonds (distance) P-C4' energy: -112.856
flat angles C4'-P-C4' energy: -131.585
flat angles P-C4'-P energy: -85.813
tors. eta vs tors. theta energy: -146.885
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: 396
Temperature: 1.200000
Total energy: -1603.813529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.813529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.813529 (E_RNA)
where:
Base-Base interactions energy: -1089.712
where: short stacking energy: -439.829
Base-Backbone interact. energy: -2.392
local terms energy: -511.708563
where:
bonds (distance) C4'-P energy: -93.125
bonds (distance) P-C4' energy: -117.145
flat angles C4'-P-C4' energy: -100.837
flat angles P-C4'-P energy: -80.171
tors. eta vs tors. theta energy: -120.430
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: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1125.588046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.588046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.588046 (E_RNA)
where:
Base-Base interactions energy: -678.764
where: short stacking energy: -300.143
Base-Backbone interact. energy: -2.099
local terms energy: -444.725199
where:
bonds (distance) C4'-P energy: -112.724
bonds (distance) P-C4' energy: -105.436
flat angles C4'-P-C4' energy: -102.032
flat angles P-C4'-P energy: -65.224
tors. eta vs tors. theta energy: -59.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1198.829370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.829370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.829370 (E_RNA)
where:
Base-Base interactions energy: -748.754
where: short stacking energy: -328.617
Base-Backbone interact. energy: -2.782
local terms energy: -447.293091
where:
bonds (distance) C4'-P energy: -98.571
bonds (distance) P-C4' energy: -118.932
flat angles C4'-P-C4' energy: -113.398
flat angles P-C4'-P energy: -55.558
tors. eta vs tors. theta energy: -60.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -442.058883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.058883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.058883 (E_RNA)
where:
Base-Base interactions energy: -135.109
where: short stacking energy: -115.273
Base-Backbone interact. energy: -2.216
local terms energy: -304.734455
where:
bonds (distance) C4'-P energy: -94.275
bonds (distance) P-C4' energy: -108.088
flat angles C4'-P-C4' energy: -85.117
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: 24.092
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: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2507.631899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.631899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.631899 (E_RNA)
where:
Base-Base interactions energy: -1765.353
where: short stacking energy: -693.973
Base-Backbone interact. energy: -1.759
local terms energy: -740.519448
where:
bonds (distance) C4'-P energy: -123.563
bonds (distance) P-C4' energy: -125.632
flat angles C4'-P-C4' energy: -158.047
flat angles P-C4'-P energy: -102.372
tors. eta vs tors. theta energy: -230.905
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: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2338.850279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.850279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.850279 (E_RNA)
where:
Base-Base interactions energy: -1653.331
where: short stacking energy: -645.462
Base-Backbone interact. energy: -2.187
local terms energy: -683.332003
where:
bonds (distance) C4'-P energy: -111.025
bonds (distance) P-C4' energy: -127.920
flat angles C4'-P-C4' energy: -145.613
flat angles P-C4'-P energy: -89.013
tors. eta vs tors. theta energy: -209.761
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: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2251.707207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.707207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.707207 (E_RNA)
where:
Base-Base interactions energy: -1591.640
where: short stacking energy: -641.384
Base-Backbone interact. energy: -3.650
local terms energy: -656.416575
where:
bonds (distance) C4'-P energy: -111.873
bonds (distance) P-C4' energy: -122.209
flat angles C4'-P-C4' energy: -140.117
flat angles P-C4'-P energy: -90.120
tors. eta vs tors. theta energy: -192.098
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: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2106.931381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.931381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.931381 (E_RNA)
where:
Base-Base interactions energy: -1460.676
where: short stacking energy: -577.955
Base-Backbone interact. energy: -1.667
local terms energy: -644.588621
where:
bonds (distance) C4'-P energy: -108.412
bonds (distance) P-C4' energy: -124.166
flat angles C4'-P-C4' energy: -148.769
flat angles P-C4'-P energy: -91.907
tors. eta vs tors. theta energy: -171.334
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: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2085.323991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.323991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.323991 (E_RNA)
where:
Base-Base interactions energy: -1457.970
where: short stacking energy: -589.332
Base-Backbone interact. energy: -1.348
local terms energy: -626.006608
where:
bonds (distance) C4'-P energy: -106.650
bonds (distance) P-C4' energy: -122.683
flat angles C4'-P-C4' energy: -137.091
flat angles P-C4'-P energy: -80.771
tors. eta vs tors. theta energy: -178.811
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: 397
Temperature: 1.150000
Total energy: -1865.726600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.726600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.726600 (E_RNA)
where:
Base-Base interactions energy: -1322.924
where: short stacking energy: -535.031
Base-Backbone interact. energy: 0.370
local terms energy: -543.173027
where:
bonds (distance) C4'-P energy: -105.241
bonds (distance) P-C4' energy: -101.434
flat angles C4'-P-C4' energy: -121.636
flat angles P-C4'-P energy: -64.998
tors. eta vs tors. theta energy: -149.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1652.103099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.103099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.103099 (E_RNA)
where:
Base-Base interactions energy: -1146.334
where: short stacking energy: -458.560
Base-Backbone interact. energy: 1.893
local terms energy: -507.662546
where:
bonds (distance) C4'-P energy: -97.879
bonds (distance) P-C4' energy: -91.853
flat angles C4'-P-C4' energy: -117.049
flat angles P-C4'-P energy: -78.856
tors. eta vs tors. theta energy: -122.026
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: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1218.225575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.225575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.225575 (E_RNA)
where:
Base-Base interactions energy: -754.725
where: short stacking energy: -351.774
Base-Backbone interact. energy: -0.583
local terms energy: -462.917789
where:
bonds (distance) C4'-P energy: -96.443
bonds (distance) P-C4' energy: -120.956
flat angles C4'-P-C4' energy: -99.587
flat angles P-C4'-P energy: -73.054
tors. eta vs tors. theta energy: -72.878
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: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1061.694573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.694573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.694573 (E_RNA)
where:
Base-Base interactions energy: -655.742
where: short stacking energy: -289.633
Base-Backbone interact. energy: 1.108
local terms energy: -407.060585
where:
bonds (distance) C4'-P energy: -110.520
bonds (distance) P-C4' energy: -85.357
flat angles C4'-P-C4' energy: -94.710
flat angles P-C4'-P energy: -70.189
tors. eta vs tors. theta energy: -46.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -430.186222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.186222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.186222 (E_RNA)
where:
Base-Base interactions energy: -101.029
where: short stacking energy: -77.349
Base-Backbone interact. energy: -3.469
local terms energy: -325.688305
where:
bonds (distance) C4'-P energy: -102.241
bonds (distance) P-C4' energy: -109.064
flat angles C4'-P-C4' energy: -95.273
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: 29.707
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: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2501.536436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.536436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.536436 (E_RNA)
where:
Base-Base interactions energy: -1759.064
where: short stacking energy: -711.721
Base-Backbone interact. energy: -0.866
local terms energy: -741.606833
where:
bonds (distance) C4'-P energy: -124.368
bonds (distance) P-C4' energy: -132.730
flat angles C4'-P-C4' energy: -146.240
flat angles P-C4'-P energy: -111.341
tors. eta vs tors. theta energy: -226.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2334.177280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.177280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.177280 (E_RNA)
where:
Base-Base interactions energy: -1643.024
where: short stacking energy: -643.449
Base-Backbone interact. energy: -5.290
local terms energy: -685.863443
where:
bonds (distance) C4'-P energy: -115.340
bonds (distance) P-C4' energy: -118.973
flat angles C4'-P-C4' energy: -145.936
flat angles P-C4'-P energy: -108.825
tors. eta vs tors. theta energy: -196.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2239.317437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.317437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.317437 (E_RNA)
where:
Base-Base interactions energy: -1570.101
where: short stacking energy: -594.674
Base-Backbone interact. energy: -2.222
local terms energy: -666.994931
where:
bonds (distance) C4'-P energy: -120.858
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -126.294
flat angles P-C4'-P energy: -102.791
tors. eta vs tors. theta energy: -195.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2101.590201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.590201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.590201 (E_RNA)
where:
Base-Base interactions energy: -1494.185
where: short stacking energy: -570.499
Base-Backbone interact. energy: -2.840
local terms energy: -604.565616
where:
bonds (distance) C4'-P energy: -108.279
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -125.571
flat angles P-C4'-P energy: -86.750
tors. eta vs tors. theta energy: -173.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2046.529976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.529976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.529976 (E_RNA)
where:
Base-Base interactions energy: -1421.458
where: short stacking energy: -561.918
Base-Backbone interact. energy: 2.859
local terms energy: -627.930766
where:
bonds (distance) C4'-P energy: -122.279
bonds (distance) P-C4' energy: -107.905
flat angles C4'-P-C4' energy: -135.106
flat angles P-C4'-P energy: -85.293
tors. eta vs tors. theta energy: -177.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1832.088234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.088234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.088234 (E_RNA)
where:
Base-Base interactions energy: -1279.604
where: short stacking energy: -483.241
Base-Backbone interact. energy: -2.826
local terms energy: -549.659096
where:
bonds (distance) C4'-P energy: -118.332
bonds (distance) P-C4' energy: -110.991
flat angles C4'-P-C4' energy: -103.486
flat angles P-C4'-P energy: -81.217
tors. eta vs tors. theta energy: -135.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1629.702978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.702978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.702978 (E_RNA)
where:
Base-Base interactions energy: -1130.834
where: short stacking energy: -455.662
Base-Backbone interact. energy: 1.179
local terms energy: -500.047959
where:
bonds (distance) C4'-P energy: -82.531
bonds (distance) P-C4' energy: -103.283
flat angles C4'-P-C4' energy: -112.223
flat angles P-C4'-P energy: -78.897
tors. eta vs tors. theta energy: -123.113
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: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1257.638002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.638002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.638002 (E_RNA)
where:
Base-Base interactions energy: -792.460
where: short stacking energy: -341.180
Base-Backbone interact. energy: 0.389
local terms energy: -465.567540
where:
bonds (distance) C4'-P energy: -103.399
bonds (distance) P-C4' energy: -110.575
flat angles C4'-P-C4' energy: -101.803
flat angles P-C4'-P energy: -64.905
tors. eta vs tors. theta energy: -84.886
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: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1058.622631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.622631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.622631 (E_RNA)
where:
Base-Base interactions energy: -644.389
where: short stacking energy: -290.196
Base-Backbone interact. energy: 0.407
local terms energy: -414.640370
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -108.278
flat angles C4'-P-C4' energy: -87.883
flat angles P-C4'-P energy: -75.293
tors. eta vs tors. theta energy: -35.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -443.275283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.275283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.275283 (E_RNA)
where:
Base-Base interactions energy: -126.715
where: short stacking energy: -119.091
Base-Backbone interact. energy: 0.888
local terms energy: -317.448951
where:
bonds (distance) C4'-P energy: -101.379
bonds (distance) P-C4' energy: -114.675
flat angles C4'-P-C4' energy: -82.953
flat angles P-C4'-P energy: -31.850
tors. eta vs tors. theta energy: 13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2510.797800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.797800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.797800 (E_RNA)
where:
Base-Base interactions energy: -1757.212
where: short stacking energy: -709.324
Base-Backbone interact. energy: -1.186
local terms energy: -752.399895
where:
bonds (distance) C4'-P energy: -132.400
bonds (distance) P-C4' energy: -136.243
flat angles C4'-P-C4' energy: -146.084
flat angles P-C4'-P energy: -114.031
tors. eta vs tors. theta energy: -223.642
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: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2317.432489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.432489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.432489 (E_RNA)
where:
Base-Base interactions energy: -1653.608
where: short stacking energy: -643.056
Base-Backbone interact. energy: -1.046
local terms energy: -662.779185
where:
bonds (distance) C4'-P energy: -112.645
bonds (distance) P-C4' energy: -103.818
flat angles C4'-P-C4' energy: -144.231
flat angles P-C4'-P energy: -100.410
tors. eta vs tors. theta energy: -201.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2252.458776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.458776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.458776 (E_RNA)
where:
Base-Base interactions energy: -1610.973
where: short stacking energy: -603.859
Base-Backbone interact. energy: -4.731
local terms energy: -636.755408
where:
bonds (distance) C4'-P energy: -112.463
bonds (distance) P-C4' energy: -105.381
flat angles C4'-P-C4' energy: -134.361
flat angles P-C4'-P energy: -96.470
tors. eta vs tors. theta energy: -188.080
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: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2104.425400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.425400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.425400 (E_RNA)
where:
Base-Base interactions energy: -1493.777
where: short stacking energy: -609.376
Base-Backbone interact. energy: 1.468
local terms energy: -612.116653
where:
bonds (distance) C4'-P energy: -117.412
bonds (distance) P-C4' energy: -100.562
flat angles C4'-P-C4' energy: -124.411
flat angles P-C4'-P energy: -90.722
tors. eta vs tors. theta energy: -179.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2032.903163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.903163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.903163 (E_RNA)
where:
Base-Base interactions energy: -1432.987
where: short stacking energy: -582.241
Base-Backbone interact. energy: -0.932
local terms energy: -598.983442
where:
bonds (distance) C4'-P energy: -82.932
bonds (distance) P-C4' energy: -118.346
flat angles C4'-P-C4' energy: -133.743
flat angles P-C4'-P energy: -77.849
tors. eta vs tors. theta energy: -186.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1868.079481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.079481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.079481 (E_RNA)
where:
Base-Base interactions energy: -1323.542
where: short stacking energy: -517.222
Base-Backbone interact. energy: -1.628
local terms energy: -542.909448
where:
bonds (distance) C4'-P energy: -99.312
bonds (distance) P-C4' energy: -108.021
flat angles C4'-P-C4' energy: -127.054
flat angles P-C4'-P energy: -63.103
tors. eta vs tors. theta energy: -145.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1672.416821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.416821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.416821 (E_RNA)
where:
Base-Base interactions energy: -1147.489
where: short stacking energy: -452.926
Base-Backbone interact. energy: 0.384
local terms energy: -525.312391
where:
bonds (distance) C4'-P energy: -115.981
bonds (distance) P-C4' energy: -111.983
flat angles C4'-P-C4' energy: -108.348
flat angles P-C4'-P energy: -58.288
tors. eta vs tors. theta energy: -130.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1286.012313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.012313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.012313 (E_RNA)
where:
Base-Base interactions energy: -825.140
where: short stacking energy: -366.451
Base-Backbone interact. energy: 1.122
local terms energy: -461.994067
where:
bonds (distance) C4'-P energy: -106.450
bonds (distance) P-C4' energy: -107.295
flat angles C4'-P-C4' energy: -128.651
flat angles P-C4'-P energy: -54.222
tors. eta vs tors. theta energy: -65.376
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: 399
Temperature: 1.300000
Total energy: -1101.322335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.322335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.322335 (E_RNA)
where:
Base-Base interactions energy: -656.517
where: short stacking energy: -299.095
Base-Backbone interact. energy: -2.008
local terms energy: -442.797188
where:
bonds (distance) C4'-P energy: -101.220
bonds (distance) P-C4' energy: -95.357
flat angles C4'-P-C4' energy: -109.301
flat angles P-C4'-P energy: -68.542
tors. eta vs tors. theta energy: -68.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -445.990087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.990087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.990087 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -115.308
Base-Backbone interact. energy: 2.544
local terms energy: -317.274684
where:
bonds (distance) C4'-P energy: -91.701
bonds (distance) P-C4' energy: -79.448
flat angles C4'-P-C4' energy: -90.171
flat angles P-C4'-P energy: -63.650
tors. eta vs tors. theta energy: 7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2499.997218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.997218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.997218 (E_RNA)
where:
Base-Base interactions energy: -1768.699
where: short stacking energy: -713.929
Base-Backbone interact. energy: -0.509
local terms energy: -730.788639
where:
bonds (distance) C4'-P energy: -121.601
bonds (distance) P-C4' energy: -128.770
flat angles C4'-P-C4' energy: -147.551
flat angles P-C4'-P energy: -111.306
tors. eta vs tors. theta energy: -221.561
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: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2323.141013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.141013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.141013 (E_RNA)
where:
Base-Base interactions energy: -1628.370
where: short stacking energy: -635.711
Base-Backbone interact. energy: -6.321
local terms energy: -688.450333
where:
bonds (distance) C4'-P energy: -111.272
bonds (distance) P-C4' energy: -141.064
flat angles C4'-P-C4' energy: -138.850
flat angles P-C4'-P energy: -92.451
tors. eta vs tors. theta energy: -204.813
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: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2269.869135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.869135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.869135 (E_RNA)
where:
Base-Base interactions energy: -1603.782
where: short stacking energy: -622.001
Base-Backbone interact. energy: -3.408
local terms energy: -662.679814
where:
bonds (distance) C4'-P energy: -104.743
bonds (distance) P-C4' energy: -131.311
flat angles C4'-P-C4' energy: -139.901
flat angles P-C4'-P energy: -93.254
tors. eta vs tors. theta energy: -193.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2191.022973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.022973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.022973 (E_RNA)
where:
Base-Base interactions energy: -1557.824
where: short stacking energy: -587.881
Base-Backbone interact. energy: 0.195
local terms energy: -633.393518
where:
bonds (distance) C4'-P energy: -121.302
bonds (distance) P-C4' energy: -113.080
flat angles C4'-P-C4' energy: -133.953
flat angles P-C4'-P energy: -81.629
tors. eta vs tors. theta energy: -183.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2064.661797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.661797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.661797 (E_RNA)
where:
Base-Base interactions energy: -1414.303
where: short stacking energy: -571.596
Base-Backbone interact. energy: 2.774
local terms energy: -653.133423
where:
bonds (distance) C4'-P energy: -113.636
bonds (distance) P-C4' energy: -132.597
flat angles C4'-P-C4' energy: -138.802
flat angles P-C4'-P energy: -87.352
tors. eta vs tors. theta energy: -180.746
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: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1897.776338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.776338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.776338 (E_RNA)
where:
Base-Base interactions energy: -1352.335
where: short stacking energy: -537.404
Base-Backbone interact. energy: -1.384
local terms energy: -544.057423
where:
bonds (distance) C4'-P energy: -96.038
bonds (distance) P-C4' energy: -103.350
flat angles C4'-P-C4' energy: -122.784
flat angles P-C4'-P energy: -64.753
tors. eta vs tors. theta energy: -157.132
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: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1705.385632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.385632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.385632 (E_RNA)
where:
Base-Base interactions energy: -1190.274
where: short stacking energy: -482.373
Base-Backbone interact. energy: 5.832
local terms energy: -520.943811
where:
bonds (distance) C4'-P energy: -80.958
bonds (distance) P-C4' energy: -106.104
flat angles C4'-P-C4' energy: -115.913
flat angles P-C4'-P energy: -83.613
tors. eta vs tors. theta energy: -134.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1226.228241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.228241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.228241 (E_RNA)
where:
Base-Base interactions energy: -793.734
where: short stacking energy: -369.055
Base-Backbone interact. energy: 0.976
local terms energy: -433.469419
where:
bonds (distance) C4'-P energy: -81.731
bonds (distance) P-C4' energy: -104.019
flat angles C4'-P-C4' energy: -110.521
flat angles P-C4'-P energy: -60.149
tors. eta vs tors. theta energy: -77.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1136.983924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.983924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.983924 (E_RNA)
where:
Base-Base interactions energy: -703.282
where: short stacking energy: -327.882
Base-Backbone interact. energy: -0.762
local terms energy: -432.939252
where:
bonds (distance) C4'-P energy: -81.960
bonds (distance) P-C4' energy: -105.667
flat angles C4'-P-C4' energy: -106.149
flat angles P-C4'-P energy: -77.062
tors. eta vs tors. theta energy: -62.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -449.192595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.192595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.192595 (E_RNA)
where:
Base-Base interactions energy: -132.088
where: short stacking energy: -95.126
Base-Backbone interact. energy: -0.220
local terms energy: -316.884785
where:
bonds (distance) C4'-P energy: -114.260
bonds (distance) P-C4' energy: -109.986
flat angles C4'-P-C4' energy: -73.851
flat angles P-C4'-P energy: -48.778
tors. eta vs tors. theta energy: 29.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2494.028706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.028706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.028706 (E_RNA)
where:
Base-Base interactions energy: -1775.358
where: short stacking energy: -713.925
Base-Backbone interact. energy: 0.331
local terms energy: -719.001667
where:
bonds (distance) C4'-P energy: -117.513
bonds (distance) P-C4' energy: -131.455
flat angles C4'-P-C4' energy: -149.570
flat angles P-C4'-P energy: -104.314
tors. eta vs tors. theta energy: -216.151
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2332.081616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.081616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.081616 (E_RNA)
where:
Base-Base interactions energy: -1644.546
where: short stacking energy: -641.773
Base-Backbone interact. energy: -3.552
local terms energy: -683.983598
where:
bonds (distance) C4'-P energy: -119.466
bonds (distance) P-C4' energy: -124.783
flat angles C4'-P-C4' energy: -148.016
flat angles P-C4'-P energy: -97.258
tors. eta vs tors. theta energy: -194.461
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: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2231.384906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.384906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.384906 (E_RNA)
where:
Base-Base interactions energy: -1596.794
where: short stacking energy: -633.114
Base-Backbone interact. energy: -3.567
local terms energy: -631.023813
where:
bonds (distance) C4'-P energy: -117.559
bonds (distance) P-C4' energy: -115.950
flat angles C4'-P-C4' energy: -133.464
flat angles P-C4'-P energy: -84.451
tors. eta vs tors. theta energy: -179.600
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: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2142.253421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.253421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.253421 (E_RNA)
where:
Base-Base interactions energy: -1529.923
where: short stacking energy: -602.928
Base-Backbone interact. energy: -1.663
local terms energy: -610.667564
where:
bonds (distance) C4'-P energy: -115.005
bonds (distance) P-C4' energy: -93.629
flat angles C4'-P-C4' energy: -129.335
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -183.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2033.981282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.981282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.981282 (E_RNA)
where:
Base-Base interactions energy: -1417.570
where: short stacking energy: -540.795
Base-Backbone interact. energy: -0.828
local terms energy: -615.583763
where:
bonds (distance) C4'-P energy: -108.619
bonds (distance) P-C4' energy: -115.149
flat angles C4'-P-C4' energy: -124.379
flat angles P-C4'-P energy: -91.147
tors. eta vs tors. theta energy: -176.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1876.875601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.875601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.875601 (E_RNA)
where:
Base-Base interactions energy: -1309.975
where: short stacking energy: -516.649
Base-Backbone interact. energy: -1.304
local terms energy: -565.597241
where:
bonds (distance) C4'-P energy: -110.956
bonds (distance) P-C4' energy: -90.288
flat angles C4'-P-C4' energy: -130.834
flat angles P-C4'-P energy: -84.165
tors. eta vs tors. theta energy: -149.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1687.932978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.932978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.932978 (E_RNA)
where:
Base-Base interactions energy: -1134.478
where: short stacking energy: -440.914
Base-Backbone interact. energy: -2.373
local terms energy: -551.081563
where:
bonds (distance) C4'-P energy: -99.128
bonds (distance) P-C4' energy: -107.668
flat angles C4'-P-C4' energy: -129.305
flat angles P-C4'-P energy: -70.473
tors. eta vs tors. theta energy: -144.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1196.490258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.490258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.490258 (E_RNA)
where:
Base-Base interactions energy: -731.110
where: short stacking energy: -339.451
Base-Backbone interact. energy: -0.162
local terms energy: -465.217630
where:
bonds (distance) C4'-P energy: -116.858
bonds (distance) P-C4' energy: -109.660
flat angles C4'-P-C4' energy: -95.223
flat angles P-C4'-P energy: -64.303
tors. eta vs tors. theta energy: -79.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1160.151941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.151941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.151941 (E_RNA)
where:
Base-Base interactions energy: -743.162
where: short stacking energy: -313.620
Base-Backbone interact. energy: -4.085
local terms energy: -412.904513
where:
bonds (distance) C4'-P energy: -87.592
bonds (distance) P-C4' energy: -105.200
flat angles C4'-P-C4' energy: -91.072
flat angles P-C4'-P energy: -62.259
tors. eta vs tors. theta energy: -66.782
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: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -474.712455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.712455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.712455 (E_RNA)
where:
Base-Base interactions energy: -175.572
where: short stacking energy: -141.583
Base-Backbone interact. energy: 3.008
local terms energy: -302.148388
where:
bonds (distance) C4'-P energy: -106.332
bonds (distance) P-C4' energy: -115.883
flat angles C4'-P-C4' energy: -63.537
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: 22.816
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: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2508.791431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.791431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.791431 (E_RNA)
where:
Base-Base interactions energy: -1771.019
where: short stacking energy: -701.052
Base-Backbone interact. energy: -2.327
local terms energy: -735.445789
where:
bonds (distance) C4'-P energy: -119.572
bonds (distance) P-C4' energy: -130.238
flat angles C4'-P-C4' energy: -150.925
flat angles P-C4'-P energy: -108.274
tors. eta vs tors. theta energy: -226.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2303.976333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.976333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.976333 (E_RNA)
where:
Base-Base interactions energy: -1622.317
where: short stacking energy: -628.863
Base-Backbone interact. energy: -4.745
local terms energy: -676.914201
where:
bonds (distance) C4'-P energy: -118.230
bonds (distance) P-C4' energy: -109.664
flat angles C4'-P-C4' energy: -145.908
flat angles P-C4'-P energy: -110.064
tors. eta vs tors. theta energy: -193.049
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: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2280.510189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.510189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.510189 (E_RNA)
where:
Base-Base interactions energy: -1610.068
where: short stacking energy: -633.143
Base-Backbone interact. energy: -3.537
local terms energy: -666.904684
where:
bonds (distance) C4'-P energy: -128.215
bonds (distance) P-C4' energy: -123.639
flat angles C4'-P-C4' energy: -126.459
flat angles P-C4'-P energy: -99.246
tors. eta vs tors. theta energy: -189.346
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: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2071.159949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.159949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.159949 (E_RNA)
where:
Base-Base interactions energy: -1464.029
where: short stacking energy: -552.566
Base-Backbone interact. energy: 0.114
local terms energy: -607.244760
where:
bonds (distance) C4'-P energy: -103.418
bonds (distance) P-C4' energy: -116.588
flat angles C4'-P-C4' energy: -117.710
flat angles P-C4'-P energy: -91.371
tors. eta vs tors. theta energy: -178.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1985.568292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.568292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.568292 (E_RNA)
where:
Base-Base interactions energy: -1400.845
where: short stacking energy: -532.386
Base-Backbone interact. energy: 0.799
local terms energy: -585.522075
where:
bonds (distance) C4'-P energy: -110.485
bonds (distance) P-C4' energy: -111.784
flat angles C4'-P-C4' energy: -121.494
flat angles P-C4'-P energy: -87.386
tors. eta vs tors. theta energy: -154.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1850.074258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.074258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.074258 (E_RNA)
where:
Base-Base interactions energy: -1299.268
where: short stacking energy: -523.960
Base-Backbone interact. energy: -2.146
local terms energy: -548.659954
where:
bonds (distance) C4'-P energy: -98.708
bonds (distance) P-C4' energy: -102.869
flat angles C4'-P-C4' energy: -125.973
flat angles P-C4'-P energy: -86.232
tors. eta vs tors. theta energy: -134.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1663.606638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.606638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.606638 (E_RNA)
where:
Base-Base interactions energy: -1143.790
where: short stacking energy: -435.280
Base-Backbone interact. energy: 1.484
local terms energy: -521.300689
where:
bonds (distance) C4'-P energy: -104.121
bonds (distance) P-C4' energy: -115.554
flat angles C4'-P-C4' energy: -114.980
flat angles P-C4'-P energy: -62.903
tors. eta vs tors. theta energy: -123.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1223.091088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.091088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.091088 (E_RNA)
where:
Base-Base interactions energy: -767.598
where: short stacking energy: -358.333
Base-Backbone interact. energy: -1.238
local terms energy: -454.254685
where:
bonds (distance) C4'-P energy: -94.503
bonds (distance) P-C4' energy: -102.971
flat angles C4'-P-C4' energy: -119.950
flat angles P-C4'-P energy: -68.573
tors. eta vs tors. theta energy: -68.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1181.939964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.939964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.939964 (E_RNA)
where:
Base-Base interactions energy: -738.990
where: short stacking energy: -324.507
Base-Backbone interact. energy: 2.029
local terms energy: -444.979451
where:
bonds (distance) C4'-P energy: -114.167
bonds (distance) P-C4' energy: -102.485
flat angles C4'-P-C4' energy: -109.616
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -58.028
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: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -484.661312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.661312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.661312 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -146.710
Base-Backbone interact. energy: -1.554
local terms energy: -332.618186
where:
bonds (distance) C4'-P energy: -94.449
bonds (distance) P-C4' energy: -121.745
flat angles C4'-P-C4' energy: -85.235
flat angles P-C4'-P energy: -43.387
tors. eta vs tors. theta energy: 12.197
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: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2535.266907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.266907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.266907 (E_RNA)
where:
Base-Base interactions energy: -1807.517
where: short stacking energy: -739.267
Base-Backbone interact. energy: -2.008
local terms energy: -725.742540
where:
bonds (distance) C4'-P energy: -120.112
bonds (distance) P-C4' energy: -132.288
flat angles C4'-P-C4' energy: -149.227
flat angles P-C4'-P energy: -99.867
tors. eta vs tors. theta energy: -224.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2341.248876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.248876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.248876 (E_RNA)
where:
Base-Base interactions energy: -1663.294
where: short stacking energy: -644.908
Base-Backbone interact. energy: -2.097
local terms energy: -675.857882
where:
bonds (distance) C4'-P energy: -127.363
bonds (distance) P-C4' energy: -110.732
flat angles C4'-P-C4' energy: -138.980
flat angles P-C4'-P energy: -105.573
tors. eta vs tors. theta energy: -193.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2247.633492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.633492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.633492 (E_RNA)
where:
Base-Base interactions energy: -1602.713
where: short stacking energy: -622.313
Base-Backbone interact. energy: -1.911
local terms energy: -643.010046
where:
bonds (distance) C4'-P energy: -117.777
bonds (distance) P-C4' energy: -107.400
flat angles C4'-P-C4' energy: -131.501
flat angles P-C4'-P energy: -85.629
tors. eta vs tors. theta energy: -200.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2121.409374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.409374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.409374 (E_RNA)
where:
Base-Base interactions energy: -1494.203
where: short stacking energy: -568.990
Base-Backbone interact. energy: 5.009
local terms energy: -632.215381
where:
bonds (distance) C4'-P energy: -121.669
bonds (distance) P-C4' energy: -118.530
flat angles C4'-P-C4' energy: -129.391
flat angles P-C4'-P energy: -88.238
tors. eta vs tors. theta energy: -174.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1973.949978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.949978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.949978 (E_RNA)
where:
Base-Base interactions energy: -1380.443
where: short stacking energy: -559.062
Base-Backbone interact. energy: 1.776
local terms energy: -595.282476
where:
bonds (distance) C4'-P energy: -100.007
bonds (distance) P-C4' energy: -112.190
flat angles C4'-P-C4' energy: -127.749
flat angles P-C4'-P energy: -86.828
tors. eta vs tors. theta energy: -168.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1844.721196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.721196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.721196 (E_RNA)
where:
Base-Base interactions energy: -1281.496
where: short stacking energy: -514.249
Base-Backbone interact. energy: 1.077
local terms energy: -564.302380
where:
bonds (distance) C4'-P energy: -104.649
bonds (distance) P-C4' energy: -114.543
flat angles C4'-P-C4' energy: -121.773
flat angles P-C4'-P energy: -83.190
tors. eta vs tors. theta energy: -140.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1699.998592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.998592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.998592 (E_RNA)
where:
Base-Base interactions energy: -1166.296
where: short stacking energy: -477.078
Base-Backbone interact. energy: 0.401
local terms energy: -534.102997
where:
bonds (distance) C4'-P energy: -100.439
bonds (distance) P-C4' energy: -102.370
flat angles C4'-P-C4' energy: -124.796
flat angles P-C4'-P energy: -77.693
tors. eta vs tors. theta energy: -128.805
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1203.306064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.306064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.306064 (E_RNA)
where:
Base-Base interactions energy: -738.341
where: short stacking energy: -324.960
Base-Backbone interact. energy: -0.638
local terms energy: -464.326396
where:
bonds (distance) C4'-P energy: -84.545
bonds (distance) P-C4' energy: -121.474
flat angles C4'-P-C4' energy: -113.697
flat angles P-C4'-P energy: -75.984
tors. eta vs tors. theta energy: -68.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1155.372380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.372380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.372380 (E_RNA)
where:
Base-Base interactions energy: -704.381
where: short stacking energy: -326.610
Base-Backbone interact. energy: -2.975
local terms energy: -448.016817
where:
bonds (distance) C4'-P energy: -89.265
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -124.248
flat angles P-C4'-P energy: -65.380
tors. eta vs tors. theta energy: -64.373
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: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -466.045172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.045172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.045172 (E_RNA)
where:
Base-Base interactions energy: -141.578
where: short stacking energy: -109.084
Base-Backbone interact. energy: 3.798
local terms energy: -328.265206
where:
bonds (distance) C4'-P energy: -110.687
bonds (distance) P-C4' energy: -103.848
flat angles C4'-P-C4' energy: -88.119
flat angles P-C4'-P energy: -52.642
tors. eta vs tors. theta energy: 27.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2540.902816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.902816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.902816 (E_RNA)
where:
Base-Base interactions energy: -1778.014
where: short stacking energy: -717.241
Base-Backbone interact. energy: -2.229
local terms energy: -760.660276
where:
bonds (distance) C4'-P energy: -136.271
bonds (distance) P-C4' energy: -130.272
flat angles C4'-P-C4' energy: -155.581
flat angles P-C4'-P energy: -114.023
tors. eta vs tors. theta energy: -224.513
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: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2314.180162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.180162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.180162 (E_RNA)
where:
Base-Base interactions energy: -1650.657
where: short stacking energy: -642.424
Base-Backbone interact. energy: -2.159
local terms energy: -661.364136
where:
bonds (distance) C4'-P energy: -129.842
bonds (distance) P-C4' energy: -119.541
flat angles C4'-P-C4' energy: -135.827
flat angles P-C4'-P energy: -84.416
tors. eta vs tors. theta energy: -191.738
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: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2222.565330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.565330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.565330 (E_RNA)
where:
Base-Base interactions energy: -1593.171
where: short stacking energy: -638.335
Base-Backbone interact. energy: -1.395
local terms energy: -627.999363
where:
bonds (distance) C4'-P energy: -122.767
bonds (distance) P-C4' energy: -101.247
flat angles C4'-P-C4' energy: -128.390
flat angles P-C4'-P energy: -82.757
tors. eta vs tors. theta energy: -192.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2099.557986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.557986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.557986 (E_RNA)
where:
Base-Base interactions energy: -1470.808
where: short stacking energy: -570.003
Base-Backbone interact. energy: 3.904
local terms energy: -632.653993
where:
bonds (distance) C4'-P energy: -125.713
bonds (distance) P-C4' energy: -113.584
flat angles C4'-P-C4' energy: -126.246
flat angles P-C4'-P energy: -90.961
tors. eta vs tors. theta energy: -176.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2037.657455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.657455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.657455 (E_RNA)
where:
Base-Base interactions energy: -1438.621
where: short stacking energy: -592.931
Base-Backbone interact. energy: 0.650
local terms energy: -599.686005
where:
bonds (distance) C4'-P energy: -103.969
bonds (distance) P-C4' energy: -110.479
flat angles C4'-P-C4' energy: -134.209
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -172.319
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: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1877.764800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.764800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.764800 (E_RNA)
where:
Base-Base interactions energy: -1298.264
where: short stacking energy: -496.995
Base-Backbone interact. energy: -1.332
local terms energy: -578.168647
where:
bonds (distance) C4'-P energy: -116.994
bonds (distance) P-C4' energy: -104.610
flat angles C4'-P-C4' energy: -122.314
flat angles P-C4'-P energy: -85.864
tors. eta vs tors. theta energy: -148.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1665.498003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.498003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.498003 (E_RNA)
where:
Base-Base interactions energy: -1126.109
where: short stacking energy: -465.999
Base-Backbone interact. energy: 0.607
local terms energy: -539.996351
where:
bonds (distance) C4'-P energy: -94.028
bonds (distance) P-C4' energy: -103.111
flat angles C4'-P-C4' energy: -129.443
flat angles P-C4'-P energy: -82.102
tors. eta vs tors. theta energy: -131.314
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: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1256.440381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.440381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.440381 (E_RNA)
where:
Base-Base interactions energy: -783.302
where: short stacking energy: -361.699
Base-Backbone interact. energy: -0.146
local terms energy: -472.992402
where:
bonds (distance) C4'-P energy: -116.748
bonds (distance) P-C4' energy: -95.042
flat angles C4'-P-C4' energy: -112.885
flat angles P-C4'-P energy: -70.541
tors. eta vs tors. theta energy: -77.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1117.578338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.578338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.578338 (E_RNA)
where:
Base-Base interactions energy: -683.968
where: short stacking energy: -287.415
Base-Backbone interact. energy: 4.722
local terms energy: -438.332872
where:
bonds (distance) C4'-P energy: -105.737
bonds (distance) P-C4' energy: -103.205
flat angles C4'-P-C4' energy: -100.824
flat angles P-C4'-P energy: -65.970
tors. eta vs tors. theta energy: -62.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -458.722241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.722241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.722241 (E_RNA)
where:
Base-Base interactions energy: -163.047
where: short stacking energy: -105.915
Base-Backbone interact. energy: 1.175
local terms energy: -296.850222
where:
bonds (distance) C4'-P energy: -94.033
bonds (distance) P-C4' energy: -101.594
flat angles C4'-P-C4' energy: -67.555
flat angles P-C4'-P energy: -51.866
tors. eta vs tors. theta energy: 18.197
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: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2525.608111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.608111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.608111 (E_RNA)
where:
Base-Base interactions energy: -1791.027
where: short stacking energy: -739.082
Base-Backbone interact. energy: -1.474
local terms energy: -733.106366
where:
bonds (distance) C4'-P energy: -123.376
bonds (distance) P-C4' energy: -121.975
flat angles C4'-P-C4' energy: -151.895
flat angles P-C4'-P energy: -112.810
tors. eta vs tors. theta energy: -223.050
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: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2289.633677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.633677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.633677 (E_RNA)
where:
Base-Base interactions energy: -1618.984
where: short stacking energy: -650.280
Base-Backbone interact. energy: -3.880
local terms energy: -666.769749
where:
bonds (distance) C4'-P energy: -110.522
bonds (distance) P-C4' energy: -123.901
flat angles C4'-P-C4' energy: -139.062
flat angles P-C4'-P energy: -100.674
tors. eta vs tors. theta energy: -192.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2218.477583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.477583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.477583 (E_RNA)
where:
Base-Base interactions energy: -1582.230
where: short stacking energy: -607.231
Base-Backbone interact. energy: 0.795
local terms energy: -637.042900
where:
bonds (distance) C4'-P energy: -106.670
bonds (distance) P-C4' energy: -118.710
flat angles C4'-P-C4' energy: -132.342
flat angles P-C4'-P energy: -92.928
tors. eta vs tors. theta energy: -186.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2144.853036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.853036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.853036 (E_RNA)
where:
Base-Base interactions energy: -1517.123
where: short stacking energy: -591.371
Base-Backbone interact. energy: -0.331
local terms energy: -627.399836
where:
bonds (distance) C4'-P energy: -101.849
bonds (distance) P-C4' energy: -126.202
flat angles C4'-P-C4' energy: -137.445
flat angles P-C4'-P energy: -92.506
tors. eta vs tors. theta energy: -169.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2044.356739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.356739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.356739 (E_RNA)
where:
Base-Base interactions energy: -1425.779
where: short stacking energy: -584.017
Base-Backbone interact. energy: 0.390
local terms energy: -618.967612
where:
bonds (distance) C4'-P energy: -118.116
bonds (distance) P-C4' energy: -128.368
flat angles C4'-P-C4' energy: -126.898
flat angles P-C4'-P energy: -82.429
tors. eta vs tors. theta energy: -163.156
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: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1844.650524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.650524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.650524 (E_RNA)
where:
Base-Base interactions energy: -1291.220
where: short stacking energy: -504.245
Base-Backbone interact. energy: 8.611
local terms energy: -562.041236
where:
bonds (distance) C4'-P energy: -97.843
bonds (distance) P-C4' energy: -104.812
flat angles C4'-P-C4' energy: -128.865
flat angles P-C4'-P energy: -83.498
tors. eta vs tors. theta energy: -147.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1651.560196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.560196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.560196 (E_RNA)
where:
Base-Base interactions energy: -1102.298
where: short stacking energy: -462.278
Base-Backbone interact. energy: -0.047
local terms energy: -549.214431
where:
bonds (distance) C4'-P energy: -119.122
bonds (distance) P-C4' energy: -92.448
flat angles C4'-P-C4' energy: -135.387
flat angles P-C4'-P energy: -77.603
tors. eta vs tors. theta energy: -124.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1250.560917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.560917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.560917 (E_RNA)
where:
Base-Base interactions energy: -801.015
where: short stacking energy: -344.684
Base-Backbone interact. energy: -1.477
local terms energy: -448.068436
where:
bonds (distance) C4'-P energy: -101.717
bonds (distance) P-C4' energy: -111.948
flat angles C4'-P-C4' energy: -101.408
flat angles P-C4'-P energy: -63.020
tors. eta vs tors. theta energy: -69.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1131.848114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.848114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.848114 (E_RNA)
where:
Base-Base interactions energy: -687.818
where: short stacking energy: -309.756
Base-Backbone interact. energy: 0.068
local terms energy: -444.097295
where:
bonds (distance) C4'-P energy: -101.129
bonds (distance) P-C4' energy: -105.488
flat angles C4'-P-C4' energy: -111.737
flat angles P-C4'-P energy: -64.086
tors. eta vs tors. theta energy: -61.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -468.826115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.826115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.826115 (E_RNA)
where:
Base-Base interactions energy: -154.099
where: short stacking energy: -135.499
Base-Backbone interact. energy: 5.824
local terms energy: -320.551024
where:
bonds (distance) C4'-P energy: -99.088
bonds (distance) P-C4' energy: -111.511
flat angles C4'-P-C4' energy: -62.825
flat angles P-C4'-P energy: -47.702
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2539.209865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.209865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.209865 (E_RNA)
where:
Base-Base interactions energy: -1786.289
where: short stacking energy: -715.812
Base-Backbone interact. energy: 0.781
local terms energy: -753.701783
where:
bonds (distance) C4'-P energy: -138.155
bonds (distance) P-C4' energy: -132.540
flat angles C4'-P-C4' energy: -153.298
flat angles P-C4'-P energy: -104.938
tors. eta vs tors. theta energy: -224.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2312.011419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.011419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.011419 (E_RNA)
where:
Base-Base interactions energy: -1629.486
where: short stacking energy: -622.094
Base-Backbone interact. energy: -5.236
local terms energy: -677.288879
where:
bonds (distance) C4'-P energy: -113.710
bonds (distance) P-C4' energy: -129.655
flat angles C4'-P-C4' energy: -132.980
flat angles P-C4'-P energy: -101.654
tors. eta vs tors. theta energy: -199.289
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: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2219.973944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.973944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.973944 (E_RNA)
where:
Base-Base interactions energy: -1576.436
where: short stacking energy: -630.702
Base-Backbone interact. energy: -0.736
local terms energy: -642.802626
where:
bonds (distance) C4'-P energy: -105.508
bonds (distance) P-C4' energy: -129.710
flat angles C4'-P-C4' energy: -124.663
flat angles P-C4'-P energy: -90.336
tors. eta vs tors. theta energy: -192.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2194.398948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.398948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.398948 (E_RNA)
where:
Base-Base interactions energy: -1544.654
where: short stacking energy: -590.377
Base-Backbone interact. energy: -0.478
local terms energy: -649.267506
where:
bonds (distance) C4'-P energy: -117.531
bonds (distance) P-C4' energy: -109.617
flat angles C4'-P-C4' energy: -142.784
flat angles P-C4'-P energy: -99.991
tors. eta vs tors. theta energy: -179.345
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: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2098.633322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.633322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.633322 (E_RNA)
where:
Base-Base interactions energy: -1512.602
where: short stacking energy: -585.466
Base-Backbone interact. energy: 3.093
local terms energy: -589.124057
where:
bonds (distance) C4'-P energy: -102.580
bonds (distance) P-C4' energy: -100.696
flat angles C4'-P-C4' energy: -132.252
flat angles P-C4'-P energy: -86.330
tors. eta vs tors. theta energy: -167.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1862.684350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.684350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.684350 (E_RNA)
where:
Base-Base interactions energy: -1280.598
where: short stacking energy: -511.408
Base-Backbone interact. energy: -0.931
local terms energy: -581.155269
where:
bonds (distance) C4'-P energy: -127.915
bonds (distance) P-C4' energy: -107.208
flat angles C4'-P-C4' energy: -111.333
flat angles P-C4'-P energy: -74.256
tors. eta vs tors. theta energy: -160.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1677.823283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.823283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.823283 (E_RNA)
where:
Base-Base interactions energy: -1165.440
where: short stacking energy: -458.480
Base-Backbone interact. energy: -2.876
local terms energy: -509.507167
where:
bonds (distance) C4'-P energy: -85.797
bonds (distance) P-C4' energy: -99.396
flat angles C4'-P-C4' energy: -113.098
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -145.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1229.943625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.943625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.943625 (E_RNA)
where:
Base-Base interactions energy: -770.465
where: short stacking energy: -332.445
Base-Backbone interact. energy: 1.087
local terms energy: -460.565379
where:
bonds (distance) C4'-P energy: -114.389
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -117.361
flat angles P-C4'-P energy: -63.452
tors. eta vs tors. theta energy: -71.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1108.741006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.741006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.741006 (E_RNA)
where:
Base-Base interactions energy: -638.533
where: short stacking energy: -285.250
Base-Backbone interact. energy: -3.361
local terms energy: -466.847730
where:
bonds (distance) C4'-P energy: -107.582
bonds (distance) P-C4' energy: -111.156
flat angles C4'-P-C4' energy: -104.901
flat angles P-C4'-P energy: -85.377
tors. eta vs tors. theta energy: -57.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -451.956993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.956993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.956993 (E_RNA)
where:
Base-Base interactions energy: -125.101
where: short stacking energy: -98.216
Base-Backbone interact. energy: -0.735
local terms energy: -326.121032
where:
bonds (distance) C4'-P energy: -104.395
bonds (distance) P-C4' energy: -105.781
flat angles C4'-P-C4' energy: -86.723
flat angles P-C4'-P energy: -55.638
tors. eta vs tors. theta energy: 26.416
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: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2549.015823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.015823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.015823 (E_RNA)
where:
Base-Base interactions energy: -1796.588
where: short stacking energy: -714.516
Base-Backbone interact. energy: 0.213
local terms energy: -752.640797
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -136.160
flat angles C4'-P-C4' energy: -151.336
flat angles P-C4'-P energy: -109.312
tors. eta vs tors. theta energy: -232.055
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: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2307.896628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.896628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.896628 (E_RNA)
where:
Base-Base interactions energy: -1630.647
where: short stacking energy: -625.761
Base-Backbone interact. energy: -1.553
local terms energy: -675.696698
where:
bonds (distance) C4'-P energy: -110.361
bonds (distance) P-C4' energy: -120.604
flat angles C4'-P-C4' energy: -151.502
flat angles P-C4'-P energy: -103.508
tors. eta vs tors. theta energy: -189.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2220.859007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.859007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.859007 (E_RNA)
where:
Base-Base interactions energy: -1555.329
where: short stacking energy: -610.794
Base-Backbone interact. energy: 0.890
local terms energy: -666.420798
where:
bonds (distance) C4'-P energy: -115.473
bonds (distance) P-C4' energy: -118.416
flat angles C4'-P-C4' energy: -140.443
flat angles P-C4'-P energy: -101.572
tors. eta vs tors. theta energy: -190.516
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: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2151.273454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.273454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.273454 (E_RNA)
where:
Base-Base interactions energy: -1525.831
where: short stacking energy: -625.362
Base-Backbone interact. energy: 1.024
local terms energy: -626.466597
where:
bonds (distance) C4'-P energy: -112.646
bonds (distance) P-C4' energy: -101.404
flat angles C4'-P-C4' energy: -140.258
flat angles P-C4'-P energy: -88.820
tors. eta vs tors. theta energy: -183.339
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: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2102.078995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.078995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.078995 (E_RNA)
where:
Base-Base interactions energy: -1439.747
where: short stacking energy: -584.130
Base-Backbone interact. energy: -0.848
local terms energy: -661.483908
where:
bonds (distance) C4'-P energy: -109.100
bonds (distance) P-C4' energy: -128.792
flat angles C4'-P-C4' energy: -140.426
flat angles P-C4'-P energy: -96.234
tors. eta vs tors. theta energy: -186.932
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: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1861.356616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.356616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.356616 (E_RNA)
where:
Base-Base interactions energy: -1288.976
where: short stacking energy: -532.223
Base-Backbone interact. energy: -1.063
local terms energy: -571.317804
where:
bonds (distance) C4'-P energy: -100.862
bonds (distance) P-C4' energy: -104.289
flat angles C4'-P-C4' energy: -126.444
flat angles P-C4'-P energy: -79.922
tors. eta vs tors. theta energy: -159.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1648.715921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.715921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.715921 (E_RNA)
where:
Base-Base interactions energy: -1109.556
where: short stacking energy: -454.523
Base-Backbone interact. energy: 1.198
local terms energy: -540.357970
where:
bonds (distance) C4'-P energy: -111.372
bonds (distance) P-C4' energy: -106.204
flat angles C4'-P-C4' energy: -109.970
flat angles P-C4'-P energy: -81.186
tors. eta vs tors. theta energy: -131.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1282.915975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.915975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.915975 (E_RNA)
where:
Base-Base interactions energy: -803.993
where: short stacking energy: -343.460
Base-Backbone interact. energy: 1.687
local terms energy: -480.610319
where:
bonds (distance) C4'-P energy: -105.824
bonds (distance) P-C4' energy: -110.473
flat angles C4'-P-C4' energy: -97.207
flat angles P-C4'-P energy: -76.235
tors. eta vs tors. theta energy: -90.870
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: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1133.002843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.002843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.002843 (E_RNA)
where:
Base-Base interactions energy: -723.520
where: short stacking energy: -326.520
Base-Backbone interact. energy: -1.707
local terms energy: -407.775994
where:
bonds (distance) C4'-P energy: -84.028
bonds (distance) P-C4' energy: -95.556
flat angles C4'-P-C4' energy: -101.929
flat angles P-C4'-P energy: -56.344
tors. eta vs tors. theta energy: -69.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -455.146343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.146343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.146343 (E_RNA)
where:
Base-Base interactions energy: -135.470
where: short stacking energy: -122.537
Base-Backbone interact. energy: -1.277
local terms energy: -318.400121
where:
bonds (distance) C4'-P energy: -110.391
bonds (distance) P-C4' energy: -97.725
flat angles C4'-P-C4' energy: -77.353
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: 18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2543.181101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.181101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.181101 (E_RNA)
where:
Base-Base interactions energy: -1803.887
where: short stacking energy: -714.616
Base-Backbone interact. energy: -1.538
local terms energy: -737.755718
where:
bonds (distance) C4'-P energy: -126.272
bonds (distance) P-C4' energy: -128.785
flat angles C4'-P-C4' energy: -149.508
flat angles P-C4'-P energy: -104.169
tors. eta vs tors. theta energy: -229.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2341.615965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.615965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.615965 (E_RNA)
where:
Base-Base interactions energy: -1663.102
where: short stacking energy: -623.708
Base-Backbone interact. energy: -2.948
local terms energy: -675.565841
where:
bonds (distance) C4'-P energy: -124.411
bonds (distance) P-C4' energy: -118.682
flat angles C4'-P-C4' energy: -140.369
flat angles P-C4'-P energy: -93.677
tors. eta vs tors. theta energy: -198.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2221.645662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.645662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.645662 (E_RNA)
where:
Base-Base interactions energy: -1582.317
where: short stacking energy: -608.878
Base-Backbone interact. energy: -0.366
local terms energy: -638.961946
where:
bonds (distance) C4'-P energy: -118.164
bonds (distance) P-C4' energy: -119.855
flat angles C4'-P-C4' energy: -127.769
flat angles P-C4'-P energy: -89.193
tors. eta vs tors. theta energy: -183.982
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: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2145.217076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.217076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.217076 (E_RNA)
where:
Base-Base interactions energy: -1515.328
where: short stacking energy: -596.791
Base-Backbone interact. energy: 3.884
local terms energy: -633.773543
where:
bonds (distance) C4'-P energy: -116.769
bonds (distance) P-C4' energy: -110.825
flat angles C4'-P-C4' energy: -130.078
flat angles P-C4'-P energy: -98.863
tors. eta vs tors. theta energy: -177.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2051.477065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.477065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.477065 (E_RNA)
where:
Base-Base interactions energy: -1456.246
where: short stacking energy: -570.282
Base-Backbone interact. energy: -1.272
local terms energy: -593.958737
where:
bonds (distance) C4'-P energy: -88.766
bonds (distance) P-C4' energy: -108.290
flat angles C4'-P-C4' energy: -150.032
flat angles P-C4'-P energy: -77.794
tors. eta vs tors. theta energy: -169.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1790.550255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.550255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.550255 (E_RNA)
where:
Base-Base interactions energy: -1250.753
where: short stacking energy: -498.632
Base-Backbone interact. energy: 0.452
local terms energy: -540.248349
where:
bonds (distance) C4'-P energy: -108.477
bonds (distance) P-C4' energy: -104.955
flat angles C4'-P-C4' energy: -114.353
flat angles P-C4'-P energy: -71.261
tors. eta vs tors. theta energy: -141.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1676.114560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.114560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.114560 (E_RNA)
where:
Base-Base interactions energy: -1136.508
where: short stacking energy: -441.905
Base-Backbone interact. energy: 1.929
local terms energy: -541.534920
where:
bonds (distance) C4'-P energy: -105.277
bonds (distance) P-C4' energy: -108.720
flat angles C4'-P-C4' energy: -109.608
flat angles P-C4'-P energy: -83.100
tors. eta vs tors. theta energy: -134.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1222.752592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.752592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.752592 (E_RNA)
where:
Base-Base interactions energy: -763.901
where: short stacking energy: -309.200
Base-Backbone interact. energy: -0.807
local terms energy: -458.043991
where:
bonds (distance) C4'-P energy: -102.827
bonds (distance) P-C4' energy: -101.093
flat angles C4'-P-C4' energy: -98.135
flat angles P-C4'-P energy: -83.785
tors. eta vs tors. theta energy: -72.205
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: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1151.330123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.330123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.330123 (E_RNA)
where:
Base-Base interactions energy: -724.923
where: short stacking energy: -324.258
Base-Backbone interact. energy: -1.743
local terms energy: -424.664696
where:
bonds (distance) C4'-P energy: -96.747
bonds (distance) P-C4' energy: -108.328
flat angles C4'-P-C4' energy: -100.255
flat angles P-C4'-P energy: -62.838
tors. eta vs tors. theta energy: -56.497
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: 408
Temperature: 1.350000
Total energy: -468.145261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.145261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.145261 (E_RNA)
where:
Base-Base interactions energy: -167.747
where: short stacking energy: -156.384
Base-Backbone interact. energy: -0.429
local terms energy: -299.968976
where:
bonds (distance) C4'-P energy: -106.463
bonds (distance) P-C4' energy: -97.889
flat angles C4'-P-C4' energy: -79.410
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: 20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2523.472104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.472104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.472104 (E_RNA)
where:
Base-Base interactions energy: -1777.114
where: short stacking energy: -703.912
Base-Backbone interact. energy: -0.413
local terms energy: -745.945113
where:
bonds (distance) C4'-P energy: -120.740
bonds (distance) P-C4' energy: -135.591
flat angles C4'-P-C4' energy: -151.457
flat angles P-C4'-P energy: -110.678
tors. eta vs tors. theta energy: -227.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2350.179048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.179048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.179048 (E_RNA)
where:
Base-Base interactions energy: -1668.288
where: short stacking energy: -631.800
Base-Backbone interact. energy: -2.749
local terms energy: -679.141877
where:
bonds (distance) C4'-P energy: -122.768
bonds (distance) P-C4' energy: -117.851
flat angles C4'-P-C4' energy: -144.622
flat angles P-C4'-P energy: -94.549
tors. eta vs tors. theta energy: -199.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2216.593670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.593670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.593670 (E_RNA)
where:
Base-Base interactions energy: -1582.234
where: short stacking energy: -628.734
Base-Backbone interact. energy: -3.123
local terms energy: -631.236816
where:
bonds (distance) C4'-P energy: -112.479
bonds (distance) P-C4' energy: -106.317
flat angles C4'-P-C4' energy: -139.270
flat angles P-C4'-P energy: -85.491
tors. eta vs tors. theta energy: -187.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2181.409818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.409818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.409818 (E_RNA)
where:
Base-Base interactions energy: -1545.254
where: short stacking energy: -621.312
Base-Backbone interact. energy: -1.396
local terms energy: -634.759725
where:
bonds (distance) C4'-P energy: -112.656
bonds (distance) P-C4' energy: -111.390
flat angles C4'-P-C4' energy: -135.347
flat angles P-C4'-P energy: -92.469
tors. eta vs tors. theta energy: -182.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2086.670369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.670369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.670369 (E_RNA)
where:
Base-Base interactions energy: -1471.802
where: short stacking energy: -597.686
Base-Backbone interact. energy: -1.585
local terms energy: -613.283521
where:
bonds (distance) C4'-P energy: -119.898
bonds (distance) P-C4' energy: -86.961
flat angles C4'-P-C4' energy: -136.909
flat angles P-C4'-P energy: -88.345
tors. eta vs tors. theta energy: -181.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1842.366995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.366995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.366995 (E_RNA)
where:
Base-Base interactions energy: -1266.420
where: short stacking energy: -490.756
Base-Backbone interact. energy: 1.742
local terms energy: -577.689402
where:
bonds (distance) C4'-P energy: -112.019
bonds (distance) P-C4' energy: -101.590
flat angles C4'-P-C4' energy: -135.354
flat angles P-C4'-P energy: -80.035
tors. eta vs tors. theta energy: -148.691
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: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1648.663505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.663505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.663505 (E_RNA)
where:
Base-Base interactions energy: -1106.524
where: short stacking energy: -466.446
Base-Backbone interact. energy: -2.452
local terms energy: -539.687593
where:
bonds (distance) C4'-P energy: -109.109
bonds (distance) P-C4' energy: -106.749
flat angles C4'-P-C4' energy: -130.424
flat angles P-C4'-P energy: -73.185
tors. eta vs tors. theta energy: -120.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1244.999222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.999222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.999222 (E_RNA)
where:
Base-Base interactions energy: -758.708
where: short stacking energy: -331.358
Base-Backbone interact. energy: -3.014
local terms energy: -483.277366
where:
bonds (distance) C4'-P energy: -102.914
bonds (distance) P-C4' energy: -110.084
flat angles C4'-P-C4' energy: -120.619
flat angles P-C4'-P energy: -88.511
tors. eta vs tors. theta energy: -61.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1097.167091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.167091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.167091 (E_RNA)
where:
Base-Base interactions energy: -701.079
where: short stacking energy: -311.542
Base-Backbone interact. energy: 2.968
local terms energy: -399.056532
where:
bonds (distance) C4'-P energy: -86.449
bonds (distance) P-C4' energy: -79.956
flat angles C4'-P-C4' energy: -112.637
flat angles P-C4'-P energy: -57.306
tors. eta vs tors. theta energy: -62.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -462.714476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.714476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.714476 (E_RNA)
where:
Base-Base interactions energy: -159.795
where: short stacking energy: -138.393
Base-Backbone interact. energy: 5.359
local terms energy: -308.278578
where:
bonds (distance) C4'-P energy: -94.972
bonds (distance) P-C4' energy: -104.039
flat angles C4'-P-C4' energy: -71.113
flat angles P-C4'-P energy: -51.774
tors. eta vs tors. theta energy: 13.620
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: 410
Temperature: 0.900000
Total energy: -2539.829538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.829538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.829538 (E_RNA)
where:
Base-Base interactions energy: -1788.431
where: short stacking energy: -725.843
Base-Backbone interact. energy: 2.329
local terms energy: -753.727833
where:
bonds (distance) C4'-P energy: -122.809
bonds (distance) P-C4' energy: -135.945
flat angles C4'-P-C4' energy: -159.682
flat angles P-C4'-P energy: -105.182
tors. eta vs tors. theta energy: -230.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2317.355944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.355944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.355944 (E_RNA)
where:
Base-Base interactions energy: -1636.905
where: short stacking energy: -654.096
Base-Backbone interact. energy: -0.983
local terms energy: -679.468656
where:
bonds (distance) C4'-P energy: -121.468
bonds (distance) P-C4' energy: -118.220
flat angles C4'-P-C4' energy: -137.912
flat angles P-C4'-P energy: -96.595
tors. eta vs tors. theta energy: -205.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2253.149405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.149405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.149405 (E_RNA)
where:
Base-Base interactions energy: -1611.203
where: short stacking energy: -632.244
Base-Backbone interact. energy: -3.557
local terms energy: -638.389676
where:
bonds (distance) C4'-P energy: -109.448
bonds (distance) P-C4' energy: -124.936
flat angles C4'-P-C4' energy: -129.435
flat angles P-C4'-P energy: -83.866
tors. eta vs tors. theta energy: -190.704
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: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2150.584579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.584579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.584579 (E_RNA)
where:
Base-Base interactions energy: -1509.550
where: short stacking energy: -598.280
Base-Backbone interact. energy: 2.575
local terms energy: -643.609607
where:
bonds (distance) C4'-P energy: -121.879
bonds (distance) P-C4' energy: -110.495
flat angles C4'-P-C4' energy: -132.448
flat angles P-C4'-P energy: -100.928
tors. eta vs tors. theta energy: -177.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2062.676168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.676168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.676168 (E_RNA)
where:
Base-Base interactions energy: -1457.262
where: short stacking energy: -568.282
Base-Backbone interact. energy: 2.137
local terms energy: -607.551677
where:
bonds (distance) C4'-P energy: -104.796
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -123.792
flat angles P-C4'-P energy: -93.508
tors. eta vs tors. theta energy: -170.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1866.037241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.037241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.037241 (E_RNA)
where:
Base-Base interactions energy: -1313.726
where: short stacking energy: -517.220
Base-Backbone interact. energy: 1.292
local terms energy: -553.603472
where:
bonds (distance) C4'-P energy: -110.130
bonds (distance) P-C4' energy: -98.272
flat angles C4'-P-C4' energy: -124.559
flat angles P-C4'-P energy: -67.932
tors. eta vs tors. theta energy: -152.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1593.854476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.854476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.854476 (E_RNA)
where:
Base-Base interactions energy: -1080.681
where: short stacking energy: -428.723
Base-Backbone interact. energy: 4.627
local terms energy: -517.800975
where:
bonds (distance) C4'-P energy: -119.397
bonds (distance) P-C4' energy: -115.933
flat angles C4'-P-C4' energy: -92.997
flat angles P-C4'-P energy: -75.350
tors. eta vs tors. theta energy: -114.124
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: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1260.775846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.775846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.775846 (E_RNA)
where:
Base-Base interactions energy: -796.006
where: short stacking energy: -334.849
Base-Backbone interact. energy: -2.831
local terms energy: -461.938705
where:
bonds (distance) C4'-P energy: -95.567
bonds (distance) P-C4' energy: -122.145
flat angles C4'-P-C4' energy: -101.397
flat angles P-C4'-P energy: -79.682
tors. eta vs tors. theta energy: -63.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1145.861111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.861111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.861111 (E_RNA)
where:
Base-Base interactions energy: -695.493
where: short stacking energy: -314.277
Base-Backbone interact. energy: 4.128
local terms energy: -454.496809
where:
bonds (distance) C4'-P energy: -107.791
bonds (distance) P-C4' energy: -95.738
flat angles C4'-P-C4' energy: -113.941
flat angles P-C4'-P energy: -72.290
tors. eta vs tors. theta energy: -64.737
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: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -449.181301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.181301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.181301 (E_RNA)
where:
Base-Base interactions energy: -145.826
where: short stacking energy: -110.686
Base-Backbone interact. energy: -2.322
local terms energy: -301.032480
where:
bonds (distance) C4'-P energy: -90.168
bonds (distance) P-C4' energy: -118.253
flat angles C4'-P-C4' energy: -81.000
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: 33.377
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: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2510.802667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.802667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.802667 (E_RNA)
where:
Base-Base interactions energy: -1775.388
where: short stacking energy: -713.651
Base-Backbone interact. energy: -1.732
local terms energy: -733.682446
where:
bonds (distance) C4'-P energy: -114.673
bonds (distance) P-C4' energy: -122.442
flat angles C4'-P-C4' energy: -154.041
flat angles P-C4'-P energy: -113.535
tors. eta vs tors. theta energy: -228.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2314.486271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.486271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.486271 (E_RNA)
where:
Base-Base interactions energy: -1635.139
where: short stacking energy: -629.989
Base-Backbone interact. energy: -3.721
local terms energy: -675.626279
where:
bonds (distance) C4'-P energy: -122.906
bonds (distance) P-C4' energy: -127.550
flat angles C4'-P-C4' energy: -128.903
flat angles P-C4'-P energy: -102.632
tors. eta vs tors. theta energy: -193.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2232.746804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.746804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.746804 (E_RNA)
where:
Base-Base interactions energy: -1554.846
where: short stacking energy: -600.704
Base-Backbone interact. energy: -3.350
local terms energy: -674.551636
where:
bonds (distance) C4'-P energy: -131.240
bonds (distance) P-C4' energy: -109.960
flat angles C4'-P-C4' energy: -144.465
flat angles P-C4'-P energy: -93.284
tors. eta vs tors. theta energy: -195.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2167.557250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.557250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.557250 (E_RNA)
where:
Base-Base interactions energy: -1522.953
where: short stacking energy: -606.801
Base-Backbone interact. energy: -2.272
local terms energy: -642.332211
where:
bonds (distance) C4'-P energy: -100.239
bonds (distance) P-C4' energy: -122.323
flat angles C4'-P-C4' energy: -135.756
flat angles P-C4'-P energy: -98.151
tors. eta vs tors. theta energy: -185.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2063.441682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.441682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.441682 (E_RNA)
where:
Base-Base interactions energy: -1446.941
where: short stacking energy: -575.619
Base-Backbone interact. energy: 0.344
local terms energy: -616.844438
where:
bonds (distance) C4'-P energy: -115.864
bonds (distance) P-C4' energy: -115.076
flat angles C4'-P-C4' energy: -123.717
flat angles P-C4'-P energy: -81.095
tors. eta vs tors. theta energy: -181.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1870.651438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.651438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.651438 (E_RNA)
where:
Base-Base interactions energy: -1285.724
where: short stacking energy: -518.267
Base-Backbone interact. energy: -0.651
local terms energy: -584.276890
where:
bonds (distance) C4'-P energy: -105.074
bonds (distance) P-C4' energy: -114.331
flat angles C4'-P-C4' energy: -136.647
flat angles P-C4'-P energy: -81.834
tors. eta vs tors. theta energy: -146.393
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: 411
Temperature: 1.200000
Total energy: -1640.286488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.286488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.286488 (E_RNA)
where:
Base-Base interactions energy: -1109.109
where: short stacking energy: -438.637
Base-Backbone interact. energy: -0.739
local terms energy: -530.438130
where:
bonds (distance) C4'-P energy: -94.960
bonds (distance) P-C4' energy: -114.573
flat angles C4'-P-C4' energy: -118.927
flat angles P-C4'-P energy: -75.514
tors. eta vs tors. theta energy: -126.464
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: 411
Temperature: 1.250000
Total energy: -1287.043540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.043540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.043540 (E_RNA)
where:
Base-Base interactions energy: -848.840
where: short stacking energy: -341.392
Base-Backbone interact. energy: 2.745
local terms energy: -440.948616
where:
bonds (distance) C4'-P energy: -103.122
bonds (distance) P-C4' energy: -102.425
flat angles C4'-P-C4' energy: -100.754
flat angles P-C4'-P energy: -78.423
tors. eta vs tors. theta energy: -56.225
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: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1116.616610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.616610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.616610 (E_RNA)
where:
Base-Base interactions energy: -692.825
where: short stacking energy: -304.625
Base-Backbone interact. energy: -1.346
local terms energy: -422.445494
where:
bonds (distance) C4'-P energy: -93.342
bonds (distance) P-C4' energy: -107.859
flat angles C4'-P-C4' energy: -92.135
flat angles P-C4'-P energy: -66.559
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: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -465.724625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.724625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.724625 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -129.890
Base-Backbone interact. energy: -0.103
local terms energy: -319.513123
where:
bonds (distance) C4'-P energy: -97.668
bonds (distance) P-C4' energy: -116.660
flat angles C4'-P-C4' energy: -74.430
flat angles P-C4'-P energy: -59.947
tors. eta vs tors. theta energy: 29.192
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: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2529.772573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.772573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.772573 (E_RNA)
where:
Base-Base interactions energy: -1788.372
where: short stacking energy: -721.929
Base-Backbone interact. energy: -1.397
local terms energy: -740.003497
where:
bonds (distance) C4'-P energy: -121.048
bonds (distance) P-C4' energy: -131.991
flat angles C4'-P-C4' energy: -163.663
flat angles P-C4'-P energy: -95.275
tors. eta vs tors. theta energy: -228.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2329.845447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.845447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.845447 (E_RNA)
where:
Base-Base interactions energy: -1653.999
where: short stacking energy: -635.946
Base-Backbone interact. energy: -1.795
local terms energy: -674.050938
where:
bonds (distance) C4'-P energy: -120.527
bonds (distance) P-C4' energy: -118.497
flat angles C4'-P-C4' energy: -147.344
flat angles P-C4'-P energy: -100.435
tors. eta vs tors. theta energy: -187.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2209.593008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.593008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.593008 (E_RNA)
where:
Base-Base interactions energy: -1569.190
where: short stacking energy: -631.671
Base-Backbone interact. energy: -2.254
local terms energy: -638.148261
where:
bonds (distance) C4'-P energy: -118.579
bonds (distance) P-C4' energy: -116.295
flat angles C4'-P-C4' energy: -135.031
flat angles P-C4'-P energy: -79.888
tors. eta vs tors. theta energy: -188.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2168.733266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.733266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.733266 (E_RNA)
where:
Base-Base interactions energy: -1549.167
where: short stacking energy: -590.530
Base-Backbone interact. energy: 5.765
local terms energy: -625.330381
where:
bonds (distance) C4'-P energy: -104.413
bonds (distance) P-C4' energy: -111.399
flat angles C4'-P-C4' energy: -146.037
flat angles P-C4'-P energy: -80.434
tors. eta vs tors. theta energy: -183.047
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: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2076.883803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.883803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.883803 (E_RNA)
where:
Base-Base interactions energy: -1464.814
where: short stacking energy: -574.214
Base-Backbone interact. energy: 2.072
local terms energy: -614.141894
where:
bonds (distance) C4'-P energy: -117.766
bonds (distance) P-C4' energy: -113.223
flat angles C4'-P-C4' energy: -126.396
flat angles P-C4'-P energy: -81.593
tors. eta vs tors. theta energy: -175.164
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: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1865.674681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.674681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.674681 (E_RNA)
where:
Base-Base interactions energy: -1294.085
where: short stacking energy: -535.891
Base-Backbone interact. energy: -1.396
local terms energy: -570.194356
where:
bonds (distance) C4'-P energy: -99.697
bonds (distance) P-C4' energy: -110.598
flat angles C4'-P-C4' energy: -131.351
flat angles P-C4'-P energy: -75.719
tors. eta vs tors. theta energy: -152.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1615.078267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.078267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.078267 (E_RNA)
where:
Base-Base interactions energy: -1097.512
where: short stacking energy: -452.896
Base-Backbone interact. energy: -0.707
local terms energy: -516.859766
where:
bonds (distance) C4'-P energy: -105.867
bonds (distance) P-C4' energy: -91.259
flat angles C4'-P-C4' energy: -108.079
flat angles P-C4'-P energy: -82.733
tors. eta vs tors. theta energy: -128.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1289.796907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.796907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.796907 (E_RNA)
where:
Base-Base interactions energy: -820.345
where: short stacking energy: -341.473
Base-Backbone interact. energy: 2.992
local terms energy: -472.443511
where:
bonds (distance) C4'-P energy: -116.113
bonds (distance) P-C4' energy: -105.599
flat angles C4'-P-C4' energy: -105.501
flat angles P-C4'-P energy: -62.262
tors. eta vs tors. theta energy: -82.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1144.654915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.654915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.654915 (E_RNA)
where:
Base-Base interactions energy: -689.327
where: short stacking energy: -292.551
Base-Backbone interact. energy: -2.115
local terms energy: -453.213279
where:
bonds (distance) C4'-P energy: -88.693
bonds (distance) P-C4' energy: -119.455
flat angles C4'-P-C4' energy: -110.183
flat angles P-C4'-P energy: -75.693
tors. eta vs tors. theta energy: -59.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -453.116225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.116225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.116225 (E_RNA)
where:
Base-Base interactions energy: -153.909
where: short stacking energy: -116.387
Base-Backbone interact. energy: -4.665
local terms energy: -294.541923
where:
bonds (distance) C4'-P energy: -98.479
bonds (distance) P-C4' energy: -100.379
flat angles C4'-P-C4' energy: -81.309
flat angles P-C4'-P energy: -52.623
tors. eta vs tors. theta energy: 38.247
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: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2541.517429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.517429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.517429 (E_RNA)
where:
Base-Base interactions energy: -1792.486
where: short stacking energy: -707.225
Base-Backbone interact. energy: -1.225
local terms energy: -747.806333
where:
bonds (distance) C4'-P energy: -131.301
bonds (distance) P-C4' energy: -128.174
flat angles C4'-P-C4' energy: -153.246
flat angles P-C4'-P energy: -112.808
tors. eta vs tors. theta energy: -222.277
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: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2333.890658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.890658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.890658 (E_RNA)
where:
Base-Base interactions energy: -1637.751
where: short stacking energy: -636.431
Base-Backbone interact. energy: 0.463
local terms energy: -696.602593
where:
bonds (distance) C4'-P energy: -116.238
bonds (distance) P-C4' energy: -130.370
flat angles C4'-P-C4' energy: -153.159
flat angles P-C4'-P energy: -91.584
tors. eta vs tors. theta energy: -205.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2211.919185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.919185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.919185 (E_RNA)
where:
Base-Base interactions energy: -1563.878
where: short stacking energy: -622.389
Base-Backbone interact. energy: -0.765
local terms energy: -647.276022
where:
bonds (distance) C4'-P energy: -99.261
bonds (distance) P-C4' energy: -117.768
flat angles C4'-P-C4' energy: -142.029
flat angles P-C4'-P energy: -92.661
tors. eta vs tors. theta energy: -195.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2133.905977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.905977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.905977 (E_RNA)
where:
Base-Base interactions energy: -1540.312
where: short stacking energy: -592.783
Base-Backbone interact. energy: -1.627
local terms energy: -591.967831
where:
bonds (distance) C4'-P energy: -111.575
bonds (distance) P-C4' energy: -121.596
flat angles C4'-P-C4' energy: -110.371
flat angles P-C4'-P energy: -73.843
tors. eta vs tors. theta energy: -174.584
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: 413
Temperature: 1.100000
Total energy: -2074.141710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.141710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.141710 (E_RNA)
where:
Base-Base interactions energy: -1444.372
where: short stacking energy: -558.226
Base-Backbone interact. energy: -2.194
local terms energy: -627.575239
where:
bonds (distance) C4'-P energy: -112.056
bonds (distance) P-C4' energy: -129.377
flat angles C4'-P-C4' energy: -112.778
flat angles P-C4'-P energy: -92.697
tors. eta vs tors. theta energy: -180.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1860.049283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.049283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.049283 (E_RNA)
where:
Base-Base interactions energy: -1318.206
where: short stacking energy: -509.155
Base-Backbone interact. energy: 0.728
local terms energy: -542.571269
where:
bonds (distance) C4'-P energy: -101.703
bonds (distance) P-C4' energy: -110.809
flat angles C4'-P-C4' energy: -124.608
flat angles P-C4'-P energy: -60.793
tors. eta vs tors. theta energy: -144.657
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: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1604.492154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.492154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.492154 (E_RNA)
where:
Base-Base interactions energy: -1082.861
where: short stacking energy: -421.103
Base-Backbone interact. energy: 0.983
local terms energy: -522.613790
where:
bonds (distance) C4'-P energy: -95.719
bonds (distance) P-C4' energy: -97.127
flat angles C4'-P-C4' energy: -121.511
flat angles P-C4'-P energy: -84.784
tors. eta vs tors. theta energy: -123.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1211.874718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.874718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.874718 (E_RNA)
where:
Base-Base interactions energy: -785.098
where: short stacking energy: -318.633
Base-Backbone interact. energy: -1.032
local terms energy: -425.744747
where:
bonds (distance) C4'-P energy: -83.238
bonds (distance) P-C4' energy: -92.563
flat angles C4'-P-C4' energy: -112.720
flat angles P-C4'-P energy: -72.979
tors. eta vs tors. theta energy: -64.245
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: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1123.655148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.655148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.655148 (E_RNA)
where:
Base-Base interactions energy: -720.383
where: short stacking energy: -311.738
Base-Backbone interact. energy: -0.063
local terms energy: -403.209323
where:
bonds (distance) C4'-P energy: -97.130
bonds (distance) P-C4' energy: -80.518
flat angles C4'-P-C4' energy: -104.698
flat angles P-C4'-P energy: -65.473
tors. eta vs tors. theta energy: -55.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -489.556820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.556820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.556820 (E_RNA)
where:
Base-Base interactions energy: -175.289
where: short stacking energy: -119.851
Base-Backbone interact. energy: 3.758
local terms energy: -318.026040
where:
bonds (distance) C4'-P energy: -84.419
bonds (distance) P-C4' energy: -116.958
flat angles C4'-P-C4' energy: -90.780
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: 24.018
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: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2533.944039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.944039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.944039 (E_RNA)
where:
Base-Base interactions energy: -1785.727
where: short stacking energy: -716.275
Base-Backbone interact. energy: -0.306
local terms energy: -747.910917
where:
bonds (distance) C4'-P energy: -128.273
bonds (distance) P-C4' energy: -125.815
flat angles C4'-P-C4' energy: -152.160
flat angles P-C4'-P energy: -111.209
tors. eta vs tors. theta energy: -230.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2347.813544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.813544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.813544 (E_RNA)
where:
Base-Base interactions energy: -1658.704
where: short stacking energy: -650.469
Base-Backbone interact. energy: -6.284
local terms energy: -682.825241
where:
bonds (distance) C4'-P energy: -117.296
bonds (distance) P-C4' energy: -114.342
flat angles C4'-P-C4' energy: -146.125
flat angles P-C4'-P energy: -99.054
tors. eta vs tors. theta energy: -206.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2189.547659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.547659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.547659 (E_RNA)
where:
Base-Base interactions energy: -1533.992
where: short stacking energy: -609.490
Base-Backbone interact. energy: -4.572
local terms energy: -650.983693
where:
bonds (distance) C4'-P energy: -120.830
bonds (distance) P-C4' energy: -129.171
flat angles C4'-P-C4' energy: -122.529
flat angles P-C4'-P energy: -89.336
tors. eta vs tors. theta energy: -189.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2185.432502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.432502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.432502 (E_RNA)
where:
Base-Base interactions energy: -1545.341
where: short stacking energy: -579.773
Base-Backbone interact. energy: -2.722
local terms energy: -637.369668
where:
bonds (distance) C4'-P energy: -118.755
bonds (distance) P-C4' energy: -115.054
flat angles C4'-P-C4' energy: -133.011
flat angles P-C4'-P energy: -98.959
tors. eta vs tors. theta energy: -171.590
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: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2121.466286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.466286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.466286 (E_RNA)
where:
Base-Base interactions energy: -1512.474
where: short stacking energy: -598.180
Base-Backbone interact. energy: -0.476
local terms energy: -608.515986
where:
bonds (distance) C4'-P energy: -106.242
bonds (distance) P-C4' energy: -99.515
flat angles C4'-P-C4' energy: -140.307
flat angles P-C4'-P energy: -79.284
tors. eta vs tors. theta energy: -183.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1860.730540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.730540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.730540 (E_RNA)
where:
Base-Base interactions energy: -1299.084
where: short stacking energy: -500.713
Base-Backbone interact. energy: -2.478
local terms energy: -559.168473
where:
bonds (distance) C4'-P energy: -98.633
bonds (distance) P-C4' energy: -109.491
flat angles C4'-P-C4' energy: -120.283
flat angles P-C4'-P energy: -75.119
tors. eta vs tors. theta energy: -155.643
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: 414
Temperature: 1.200000
Total energy: -1616.267003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.267003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.267003 (E_RNA)
where:
Base-Base interactions energy: -1100.634
where: short stacking energy: -458.978
Base-Backbone interact. energy: -1.087
local terms energy: -514.546294
where:
bonds (distance) C4'-P energy: -107.998
bonds (distance) P-C4' energy: -101.379
flat angles C4'-P-C4' energy: -102.582
flat angles P-C4'-P energy: -79.995
tors. eta vs tors. theta energy: -122.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1235.122261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.122261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.122261 (E_RNA)
where:
Base-Base interactions energy: -789.130
where: short stacking energy: -352.862
Base-Backbone interact. energy: 3.098
local terms energy: -449.090058
where:
bonds (distance) C4'-P energy: -104.071
bonds (distance) P-C4' energy: -99.872
flat angles C4'-P-C4' energy: -109.359
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: -75.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1147.607743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.607743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.607743 (E_RNA)
where:
Base-Base interactions energy: -716.382
where: short stacking energy: -326.312
Base-Backbone interact. energy: -2.961
local terms energy: -428.264539
where:
bonds (distance) C4'-P energy: -95.553
bonds (distance) P-C4' energy: -102.615
flat angles C4'-P-C4' energy: -100.022
flat angles P-C4'-P energy: -58.240
tors. eta vs tors. theta energy: -71.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -468.656192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.656192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.656192 (E_RNA)
where:
Base-Base interactions energy: -141.922
where: short stacking energy: -113.895
Base-Backbone interact. energy: 1.875
local terms energy: -328.609074
where:
bonds (distance) C4'-P energy: -107.403
bonds (distance) P-C4' energy: -111.126
flat angles C4'-P-C4' energy: -90.365
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: 26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2526.259764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.259764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.259764 (E_RNA)
where:
Base-Base interactions energy: -1795.541
where: short stacking energy: -725.899
Base-Backbone interact. energy: -2.126
local terms energy: -728.592883
where:
bonds (distance) C4'-P energy: -127.781
bonds (distance) P-C4' energy: -120.765
flat angles C4'-P-C4' energy: -151.416
flat angles P-C4'-P energy: -102.551
tors. eta vs tors. theta energy: -226.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2340.168949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.168949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.168949 (E_RNA)
where:
Base-Base interactions energy: -1651.862
where: short stacking energy: -633.125
Base-Backbone interact. energy: -4.475
local terms energy: -683.832416
where:
bonds (distance) C4'-P energy: -111.886
bonds (distance) P-C4' energy: -123.604
flat angles C4'-P-C4' energy: -134.896
flat angles P-C4'-P energy: -108.482
tors. eta vs tors. theta energy: -204.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2207.321195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.321195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.321195 (E_RNA)
where:
Base-Base interactions energy: -1558.571
where: short stacking energy: -607.774
Base-Backbone interact. energy: -1.536
local terms energy: -647.214072
where:
bonds (distance) C4'-P energy: -120.645
bonds (distance) P-C4' energy: -112.287
flat angles C4'-P-C4' energy: -130.645
flat angles P-C4'-P energy: -97.989
tors. eta vs tors. theta energy: -185.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2144.786036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.786036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.786036 (E_RNA)
where:
Base-Base interactions energy: -1535.401
where: short stacking energy: -585.266
Base-Backbone interact. energy: 0.821
local terms energy: -610.206323
where:
bonds (distance) C4'-P energy: -106.173
bonds (distance) P-C4' energy: -103.407
flat angles C4'-P-C4' energy: -134.479
flat angles P-C4'-P energy: -85.946
tors. eta vs tors. theta energy: -180.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2074.781558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.781558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.781558 (E_RNA)
where:
Base-Base interactions energy: -1455.361
where: short stacking energy: -598.349
Base-Backbone interact. energy: -1.050
local terms energy: -618.371257
where:
bonds (distance) C4'-P energy: -103.856
bonds (distance) P-C4' energy: -118.047
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -86.996
tors. eta vs tors. theta energy: -180.417
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: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1862.069829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.069829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.069829 (E_RNA)
where:
Base-Base interactions energy: -1285.638
where: short stacking energy: -509.513
Base-Backbone interact. energy: -0.159
local terms energy: -576.272861
where:
bonds (distance) C4'-P energy: -106.182
bonds (distance) P-C4' energy: -121.494
flat angles C4'-P-C4' energy: -115.564
flat angles P-C4'-P energy: -93.312
tors. eta vs tors. theta energy: -139.721
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: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1645.632907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.632907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.632907 (E_RNA)
where:
Base-Base interactions energy: -1114.990
where: short stacking energy: -498.128
Base-Backbone interact. energy: 0.897
local terms energy: -531.539256
where:
bonds (distance) C4'-P energy: -94.691
bonds (distance) P-C4' energy: -108.065
flat angles C4'-P-C4' energy: -101.771
flat angles P-C4'-P energy: -78.886
tors. eta vs tors. theta energy: -148.125
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: 415
Temperature: 1.250000
Total energy: -1201.445852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.445852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.445852 (E_RNA)
where:
Base-Base interactions energy: -754.361
where: short stacking energy: -348.734
Base-Backbone interact. energy: 6.162
local terms energy: -453.246170
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -104.151
flat angles C4'-P-C4' energy: -124.188
flat angles P-C4'-P energy: -69.728
tors. eta vs tors. theta energy: -74.593
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: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1182.541234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.541234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.541234 (E_RNA)
where:
Base-Base interactions energy: -729.761
where: short stacking energy: -303.103
Base-Backbone interact. energy: -1.551
local terms energy: -451.229362
where:
bonds (distance) C4'-P energy: -105.321
bonds (distance) P-C4' energy: -116.088
flat angles C4'-P-C4' energy: -102.245
flat angles P-C4'-P energy: -67.119
tors. eta vs tors. theta energy: -60.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -499.619148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.619148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.619148 (E_RNA)
where:
Base-Base interactions energy: -187.972
where: short stacking energy: -141.444
Base-Backbone interact. energy: -1.814
local terms energy: -309.832736
where:
bonds (distance) C4'-P energy: -95.735
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -89.275
flat angles P-C4'-P energy: -42.168
tors. eta vs tors. theta energy: 18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2537.562789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.562789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.562789 (E_RNA)
where:
Base-Base interactions energy: -1795.157
where: short stacking energy: -731.662
Base-Backbone interact. energy: 1.638
local terms energy: -744.044218
where:
bonds (distance) C4'-P energy: -130.552
bonds (distance) P-C4' energy: -131.806
flat angles C4'-P-C4' energy: -150.829
flat angles P-C4'-P energy: -103.547
tors. eta vs tors. theta energy: -227.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2318.472587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.472587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.472587 (E_RNA)
where:
Base-Base interactions energy: -1630.050
where: short stacking energy: -635.546
Base-Backbone interact. energy: -6.277
local terms energy: -682.145166
where:
bonds (distance) C4'-P energy: -120.156
bonds (distance) P-C4' energy: -109.681
flat angles C4'-P-C4' energy: -144.346
flat angles P-C4'-P energy: -103.569
tors. eta vs tors. theta energy: -204.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2208.072473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.072473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.072473 (E_RNA)
where:
Base-Base interactions energy: -1527.529
where: short stacking energy: -617.667
Base-Backbone interact. energy: -0.400
local terms energy: -680.143451
where:
bonds (distance) C4'-P energy: -131.527
bonds (distance) P-C4' energy: -129.581
flat angles C4'-P-C4' energy: -128.653
flat angles P-C4'-P energy: -94.857
tors. eta vs tors. theta energy: -195.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2166.001051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.001051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.001051 (E_RNA)
where:
Base-Base interactions energy: -1551.433
where: short stacking energy: -591.595
Base-Backbone interact. energy: 3.632
local terms energy: -618.200080
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -106.870
flat angles C4'-P-C4' energy: -136.389
flat angles P-C4'-P energy: -92.373
tors. eta vs tors. theta energy: -172.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2065.527206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.527206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.527206 (E_RNA)
where:
Base-Base interactions energy: -1456.338
where: short stacking energy: -576.448
Base-Backbone interact. energy: 3.806
local terms energy: -612.994838
where:
bonds (distance) C4'-P energy: -103.132
bonds (distance) P-C4' energy: -113.236
flat angles C4'-P-C4' energy: -128.650
flat angles P-C4'-P energy: -89.078
tors. eta vs tors. theta energy: -178.899
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1863.109224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.109224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.109224 (E_RNA)
where:
Base-Base interactions energy: -1312.051
where: short stacking energy: -525.813
Base-Backbone interact. energy: -1.539
local terms energy: -549.519441
where:
bonds (distance) C4'-P energy: -98.256
bonds (distance) P-C4' energy: -100.302
flat angles C4'-P-C4' energy: -123.102
flat angles P-C4'-P energy: -78.095
tors. eta vs tors. theta energy: -149.764
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: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1644.053646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.053646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.053646 (E_RNA)
where:
Base-Base interactions energy: -1098.253
where: short stacking energy: -477.521
Base-Backbone interact. energy: 0.759
local terms energy: -546.559751
where:
bonds (distance) C4'-P energy: -107.644
bonds (distance) P-C4' energy: -99.132
flat angles C4'-P-C4' energy: -119.812
flat angles P-C4'-P energy: -80.023
tors. eta vs tors. theta energy: -139.949
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: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1144.015619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.015619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.015619 (E_RNA)
where:
Base-Base interactions energy: -706.181
where: short stacking energy: -311.294
Base-Backbone interact. energy: -1.609
local terms energy: -436.225463
where:
bonds (distance) C4'-P energy: -91.175
bonds (distance) P-C4' energy: -97.516
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -67.890
tors. eta vs tors. theta energy: -74.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1136.841901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.841901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.841901 (E_RNA)
where:
Base-Base interactions energy: -758.096
where: short stacking energy: -329.788
Base-Backbone interact. energy: 3.308
local terms energy: -382.053247
where:
bonds (distance) C4'-P energy: -89.675
bonds (distance) P-C4' energy: -84.139
flat angles C4'-P-C4' energy: -97.507
flat angles P-C4'-P energy: -52.952
tors. eta vs tors. theta energy: -57.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -483.710094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.710094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.710094 (E_RNA)
where:
Base-Base interactions energy: -183.901
where: short stacking energy: -131.320
Base-Backbone interact. energy: -1.385
local terms energy: -298.423748
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -91.651
flat angles C4'-P-C4' energy: -91.734
flat angles P-C4'-P energy: -42.102
tors. eta vs tors. theta energy: 20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2538.030094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.030094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.030094 (E_RNA)
where:
Base-Base interactions energy: -1799.548
where: short stacking energy: -721.413
Base-Backbone interact. energy: -1.239
local terms energy: -737.242871
where:
bonds (distance) C4'-P energy: -131.250
bonds (distance) P-C4' energy: -118.538
flat angles C4'-P-C4' energy: -156.525
flat angles P-C4'-P energy: -115.595
tors. eta vs tors. theta energy: -215.336
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: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2332.346898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.346898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.346898 (E_RNA)
where:
Base-Base interactions energy: -1637.074
where: short stacking energy: -634.688
Base-Backbone interact. energy: -5.060
local terms energy: -690.212797
where:
bonds (distance) C4'-P energy: -124.930
bonds (distance) P-C4' energy: -140.488
flat angles C4'-P-C4' energy: -125.771
flat angles P-C4'-P energy: -96.335
tors. eta vs tors. theta energy: -202.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2198.970741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.970741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.970741 (E_RNA)
where:
Base-Base interactions energy: -1558.114
where: short stacking energy: -610.746
Base-Backbone interact. energy: 1.335
local terms energy: -642.191686
where:
bonds (distance) C4'-P energy: -123.703
bonds (distance) P-C4' energy: -127.192
flat angles C4'-P-C4' energy: -123.772
flat angles P-C4'-P energy: -84.225
tors. eta vs tors. theta energy: -183.301
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: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2146.435151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.435151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.435151 (E_RNA)
where:
Base-Base interactions energy: -1511.796
where: short stacking energy: -573.625
Base-Backbone interact. energy: -1.084
local terms energy: -633.555132
where:
bonds (distance) C4'-P energy: -109.965
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -131.020
flat angles P-C4'-P energy: -96.108
tors. eta vs tors. theta energy: -178.145
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: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2050.349129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.349129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.349129 (E_RNA)
where:
Base-Base interactions energy: -1431.916
where: short stacking energy: -600.243
Base-Backbone interact. energy: -0.307
local terms energy: -618.125343
where:
bonds (distance) C4'-P energy: -100.614
bonds (distance) P-C4' energy: -121.893
flat angles C4'-P-C4' energy: -131.790
flat angles P-C4'-P energy: -89.914
tors. eta vs tors. theta energy: -173.915
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: 417
Temperature: 1.150000
Total energy: -1856.058992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.058992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.058992 (E_RNA)
where:
Base-Base interactions energy: -1282.351
where: short stacking energy: -531.710
Base-Backbone interact. energy: 0.785
local terms energy: -574.492593
where:
bonds (distance) C4'-P energy: -106.700
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -128.075
flat angles P-C4'-P energy: -70.254
tors. eta vs tors. theta energy: -165.740
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: 417
Temperature: 1.200000
Total energy: -1627.584114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.584114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.584114 (E_RNA)
where:
Base-Base interactions energy: -1120.864
where: short stacking energy: -442.898
Base-Backbone interact. energy: -3.968
local terms energy: -502.751567
where:
bonds (distance) C4'-P energy: -90.804
bonds (distance) P-C4' energy: -105.612
flat angles C4'-P-C4' energy: -102.613
flat angles P-C4'-P energy: -79.617
tors. eta vs tors. theta energy: -124.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1206.355568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.355568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.355568 (E_RNA)
where:
Base-Base interactions energy: -776.211
where: short stacking energy: -367.772
Base-Backbone interact. energy: 4.412
local terms energy: -434.555805
where:
bonds (distance) C4'-P energy: -87.100
bonds (distance) P-C4' energy: -102.066
flat angles C4'-P-C4' energy: -95.768
flat angles P-C4'-P energy: -73.407
tors. eta vs tors. theta energy: -76.214
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: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1095.038662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.038662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.038662 (E_RNA)
where:
Base-Base interactions energy: -683.799
where: short stacking energy: -296.378
Base-Backbone interact. energy: -0.024
local terms energy: -411.216322
where:
bonds (distance) C4'-P energy: -93.587
bonds (distance) P-C4' energy: -106.365
flat angles C4'-P-C4' energy: -78.007
flat angles P-C4'-P energy: -58.858
tors. eta vs tors. theta energy: -74.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -488.953499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.953499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.953499 (E_RNA)
where:
Base-Base interactions energy: -148.320
where: short stacking energy: -123.185
Base-Backbone interact. energy: -0.030
local terms energy: -340.604364
where:
bonds (distance) C4'-P energy: -97.823
bonds (distance) P-C4' energy: -125.191
flat angles C4'-P-C4' energy: -89.349
flat angles P-C4'-P energy: -52.293
tors. eta vs tors. theta energy: 24.051
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: 418
Temperature: 0.900000
Total energy: -2531.622880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.622880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.622880 (E_RNA)
where:
Base-Base interactions energy: -1800.242
where: short stacking energy: -702.433
Base-Backbone interact. energy: -1.732
local terms energy: -729.648691
where:
bonds (distance) C4'-P energy: -123.456
bonds (distance) P-C4' energy: -129.774
flat angles C4'-P-C4' energy: -147.798
flat angles P-C4'-P energy: -107.284
tors. eta vs tors. theta energy: -221.337
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: 418
Temperature: 0.950000
Total energy: -2329.433177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.433177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.433177 (E_RNA)
where:
Base-Base interactions energy: -1651.886
where: short stacking energy: -629.855
Base-Backbone interact. energy: -4.524
local terms energy: -673.022911
where:
bonds (distance) C4'-P energy: -118.088
bonds (distance) P-C4' energy: -124.536
flat angles C4'-P-C4' energy: -135.503
flat angles P-C4'-P energy: -98.420
tors. eta vs tors. theta energy: -196.475
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: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2207.806638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.806638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.806638 (E_RNA)
where:
Base-Base interactions energy: -1556.682
where: short stacking energy: -609.050
Base-Backbone interact. energy: -3.656
local terms energy: -647.468752
where:
bonds (distance) C4'-P energy: -108.610
bonds (distance) P-C4' energy: -121.072
flat angles C4'-P-C4' energy: -142.543
flat angles P-C4'-P energy: -88.778
tors. eta vs tors. theta energy: -186.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2167.332985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.332985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.332985 (E_RNA)
where:
Base-Base interactions energy: -1548.203
where: short stacking energy: -626.368
Base-Backbone interact. energy: -0.412
local terms energy: -618.717977
where:
bonds (distance) C4'-P energy: -99.037
bonds (distance) P-C4' energy: -114.794
flat angles C4'-P-C4' energy: -125.439
flat angles P-C4'-P energy: -94.259
tors. eta vs tors. theta energy: -185.189
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: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2091.410112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.410112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.410112 (E_RNA)
where:
Base-Base interactions energy: -1448.814
where: short stacking energy: -584.454
Base-Backbone interact. energy: -3.160
local terms energy: -639.436162
where:
bonds (distance) C4'-P energy: -115.319
bonds (distance) P-C4' energy: -116.212
flat angles C4'-P-C4' energy: -137.141
flat angles P-C4'-P energy: -92.707
tors. eta vs tors. theta energy: -178.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1770.422734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.422734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.422734 (E_RNA)
where:
Base-Base interactions energy: -1221.945
where: short stacking energy: -492.947
Base-Backbone interact. energy: 1.277
local terms energy: -549.754196
where:
bonds (distance) C4'-P energy: -112.874
bonds (distance) P-C4' energy: -113.826
flat angles C4'-P-C4' energy: -111.139
flat angles P-C4'-P energy: -75.986
tors. eta vs tors. theta energy: -135.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1605.143172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.143172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.143172 (E_RNA)
where:
Base-Base interactions energy: -1090.851
where: short stacking energy: -460.033
Base-Backbone interact. energy: 3.938
local terms energy: -518.230083
where:
bonds (distance) C4'-P energy: -91.409
bonds (distance) P-C4' energy: -97.456
flat angles C4'-P-C4' energy: -111.953
flat angles P-C4'-P energy: -87.355
tors. eta vs tors. theta energy: -130.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1268.140690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.140690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.140690 (E_RNA)
where:
Base-Base interactions energy: -779.306
where: short stacking energy: -344.994
Base-Backbone interact. energy: -0.082
local terms energy: -488.753168
where:
bonds (distance) C4'-P energy: -97.957
bonds (distance) P-C4' energy: -117.617
flat angles C4'-P-C4' energy: -131.871
flat angles P-C4'-P energy: -75.316
tors. eta vs tors. theta energy: -65.992
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: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1114.078703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.078703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.078703 (E_RNA)
where:
Base-Base interactions energy: -682.432
where: short stacking energy: -299.934
Base-Backbone interact. energy: -2.780
local terms energy: -428.867481
where:
bonds (distance) C4'-P energy: -86.248
bonds (distance) P-C4' energy: -108.245
flat angles C4'-P-C4' energy: -108.761
flat angles P-C4'-P energy: -70.093
tors. eta vs tors. theta energy: -55.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -455.011071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.011071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.011071 (E_RNA)
where:
Base-Base interactions energy: -143.863
where: short stacking energy: -96.735
Base-Backbone interact. energy: -3.322
local terms energy: -307.825656
where:
bonds (distance) C4'-P energy: -92.739
bonds (distance) P-C4' energy: -111.511
flat angles C4'-P-C4' energy: -101.904
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: 25.944
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: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2532.210839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.210839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.210839 (E_RNA)
where:
Base-Base interactions energy: -1807.095
where: short stacking energy: -733.528
Base-Backbone interact. energy: 0.190
local terms energy: -725.305891
where:
bonds (distance) C4'-P energy: -125.969
bonds (distance) P-C4' energy: -117.623
flat angles C4'-P-C4' energy: -147.545
flat angles P-C4'-P energy: -105.881
tors. eta vs tors. theta energy: -228.288
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: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2295.150766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.150766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.150766 (E_RNA)
where:
Base-Base interactions energy: -1631.721
where: short stacking energy: -646.493
Base-Backbone interact. energy: -0.205
local terms energy: -663.225557
where:
bonds (distance) C4'-P energy: -113.693
bonds (distance) P-C4' energy: -116.987
flat angles C4'-P-C4' energy: -139.690
flat angles P-C4'-P energy: -99.971
tors. eta vs tors. theta energy: -192.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2209.365320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.365320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.365320 (E_RNA)
where:
Base-Base interactions energy: -1559.539
where: short stacking energy: -624.554
Base-Backbone interact. energy: 0.208
local terms energy: -650.034722
where:
bonds (distance) C4'-P energy: -111.567
bonds (distance) P-C4' energy: -116.793
flat angles C4'-P-C4' energy: -135.261
flat angles P-C4'-P energy: -96.428
tors. eta vs tors. theta energy: -189.985
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: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2180.783141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.783141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.783141 (E_RNA)
where:
Base-Base interactions energy: -1582.914
where: short stacking energy: -594.471
Base-Backbone interact. energy: 2.021
local terms energy: -599.890353
where:
bonds (distance) C4'-P energy: -99.636
bonds (distance) P-C4' energy: -117.834
flat angles C4'-P-C4' energy: -131.978
flat angles P-C4'-P energy: -77.415
tors. eta vs tors. theta energy: -173.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2075.038028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.038028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.038028 (E_RNA)
where:
Base-Base interactions energy: -1423.889
where: short stacking energy: -573.544
Base-Backbone interact. energy: -2.057
local terms energy: -649.091638
where:
bonds (distance) C4'-P energy: -118.236
bonds (distance) P-C4' energy: -128.010
flat angles C4'-P-C4' energy: -130.753
flat angles P-C4'-P energy: -86.341
tors. eta vs tors. theta energy: -185.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1868.450779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.450779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.450779 (E_RNA)
where:
Base-Base interactions energy: -1311.283
where: short stacking energy: -524.998
Base-Backbone interact. energy: -1.870
local terms energy: -555.298009
where:
bonds (distance) C4'-P energy: -101.870
bonds (distance) P-C4' energy: -111.124
flat angles C4'-P-C4' energy: -128.248
flat angles P-C4'-P energy: -67.506
tors. eta vs tors. theta energy: -146.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1667.485093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.485093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.485093 (E_RNA)
where:
Base-Base interactions energy: -1124.939
where: short stacking energy: -473.067
Base-Backbone interact. energy: -2.269
local terms energy: -540.276966
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -96.183
flat angles C4'-P-C4' energy: -111.899
flat angles P-C4'-P energy: -80.804
tors. eta vs tors. theta energy: -133.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1163.772437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.772437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.772437 (E_RNA)
where:
Base-Base interactions energy: -711.354
where: short stacking energy: -329.329
Base-Backbone interact. energy: -1.702
local terms energy: -450.716364
where:
bonds (distance) C4'-P energy: -103.598
bonds (distance) P-C4' energy: -119.419
flat angles C4'-P-C4' energy: -95.361
flat angles P-C4'-P energy: -65.943
tors. eta vs tors. theta energy: -66.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1125.837141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.837141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.837141 (E_RNA)
where:
Base-Base interactions energy: -693.273
where: short stacking energy: -316.746
Base-Backbone interact. energy: 2.081
local terms energy: -434.645615
where:
bonds (distance) C4'-P energy: -97.903
bonds (distance) P-C4' energy: -99.678
flat angles C4'-P-C4' energy: -104.577
flat angles P-C4'-P energy: -71.929
tors. eta vs tors. theta energy: -60.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -454.586639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.586639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.586639 (E_RNA)
where:
Base-Base interactions energy: -146.974
where: short stacking energy: -123.794
Base-Backbone interact. energy: -3.769
local terms energy: -303.843081
where:
bonds (distance) C4'-P energy: -107.591
bonds (distance) P-C4' energy: -98.488
flat angles C4'-P-C4' energy: -84.349
flat angles P-C4'-P energy: -46.784
tors. eta vs tors. theta energy: 33.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2527.273953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.273953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.273953 (E_RNA)
where:
Base-Base interactions energy: -1810.430
where: short stacking energy: -723.271
Base-Backbone interact. energy: -2.253
local terms energy: -714.591252
where:
bonds (distance) C4'-P energy: -126.279
bonds (distance) P-C4' energy: -111.524
flat angles C4'-P-C4' energy: -149.026
flat angles P-C4'-P energy: -104.496
tors. eta vs tors. theta energy: -223.266
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: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2320.448657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.448657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.448657 (E_RNA)
where:
Base-Base interactions energy: -1621.975
where: short stacking energy: -628.228
Base-Backbone interact. energy: -0.097
local terms energy: -698.375746
where:
bonds (distance) C4'-P energy: -131.936
bonds (distance) P-C4' energy: -125.186
flat angles C4'-P-C4' energy: -145.305
flat angles P-C4'-P energy: -102.044
tors. eta vs tors. theta energy: -193.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2248.338634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.338634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.338634 (E_RNA)
where:
Base-Base interactions energy: -1573.337
where: short stacking energy: -627.172
Base-Backbone interact. energy: -0.078
local terms energy: -674.924286
where:
bonds (distance) C4'-P energy: -125.334
bonds (distance) P-C4' energy: -127.210
flat angles C4'-P-C4' energy: -135.540
flat angles P-C4'-P energy: -95.836
tors. eta vs tors. theta energy: -191.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2154.972471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.972471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.972471 (E_RNA)
where:
Base-Base interactions energy: -1500.089
where: short stacking energy: -594.545
Base-Backbone interact. energy: -3.757
local terms energy: -651.126619
where:
bonds (distance) C4'-P energy: -107.509
bonds (distance) P-C4' energy: -120.578
flat angles C4'-P-C4' energy: -138.587
flat angles P-C4'-P energy: -101.360
tors. eta vs tors. theta energy: -183.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2090.894043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.894043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.894043 (E_RNA)
where:
Base-Base interactions energy: -1468.632
where: short stacking energy: -591.881
Base-Backbone interact. energy: 2.701
local terms energy: -624.963646
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -102.929
flat angles C4'-P-C4' energy: -130.651
flat angles P-C4'-P energy: -92.623
tors. eta vs tors. theta energy: -180.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1816.608048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.608048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.608048 (E_RNA)
where:
Base-Base interactions energy: -1273.282
where: short stacking energy: -494.152
Base-Backbone interact. energy: 2.680
local terms energy: -546.005965
where:
bonds (distance) C4'-P energy: -105.053
bonds (distance) P-C4' energy: -93.866
flat angles C4'-P-C4' energy: -128.491
flat angles P-C4'-P energy: -85.574
tors. eta vs tors. theta energy: -133.021
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: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1646.573943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.573943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.573943 (E_RNA)
where:
Base-Base interactions energy: -1107.409
where: short stacking energy: -449.262
Base-Backbone interact. energy: 2.836
local terms energy: -542.001151
where:
bonds (distance) C4'-P energy: -103.378
bonds (distance) P-C4' energy: -104.481
flat angles C4'-P-C4' energy: -122.967
flat angles P-C4'-P energy: -76.385
tors. eta vs tors. theta energy: -134.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1221.802043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.802043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.802043 (E_RNA)
where:
Base-Base interactions energy: -738.628
where: short stacking energy: -333.738
Base-Backbone interact. energy: -2.714
local terms energy: -480.459681
where:
bonds (distance) C4'-P energy: -109.652
bonds (distance) P-C4' energy: -102.778
flat angles C4'-P-C4' energy: -128.248
flat angles P-C4'-P energy: -58.397
tors. eta vs tors. theta energy: -81.384
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: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1080.459566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.459566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.459566 (E_RNA)
where:
Base-Base interactions energy: -651.493
where: short stacking energy: -295.600
Base-Backbone interact. energy: -0.708
local terms energy: -428.258658
where:
bonds (distance) C4'-P energy: -109.520
bonds (distance) P-C4' energy: -91.917
flat angles C4'-P-C4' energy: -104.104
flat angles P-C4'-P energy: -59.029
tors. eta vs tors. theta energy: -63.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -443.773786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.773786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.773786 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -126.372
Base-Backbone interact. energy: 2.375
local terms energy: -304.328724
where:
bonds (distance) C4'-P energy: -104.983
bonds (distance) P-C4' energy: -94.776
flat angles C4'-P-C4' energy: -89.224
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: 21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2530.420023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.420023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.420023 (E_RNA)
where:
Base-Base interactions energy: -1810.020
where: short stacking energy: -718.930
Base-Backbone interact. energy: -0.262
local terms energy: -720.137997
where:
bonds (distance) C4'-P energy: -114.980
bonds (distance) P-C4' energy: -112.133
flat angles C4'-P-C4' energy: -151.751
flat angles P-C4'-P energy: -109.140
tors. eta vs tors. theta energy: -232.135
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2331.083922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.083922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.083922 (E_RNA)
where:
Base-Base interactions energy: -1645.036
where: short stacking energy: -636.948
Base-Backbone interact. energy: -2.055
local terms energy: -683.993336
where:
bonds (distance) C4'-P energy: -127.529
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -134.677
flat angles P-C4'-P energy: -97.289
tors. eta vs tors. theta energy: -205.226
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: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2243.194204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.194204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.194204 (E_RNA)
where:
Base-Base interactions energy: -1581.115
where: short stacking energy: -620.134
Base-Backbone interact. energy: 2.636
local terms energy: -664.715988
where:
bonds (distance) C4'-P energy: -118.526
bonds (distance) P-C4' energy: -118.382
flat angles C4'-P-C4' energy: -143.386
flat angles P-C4'-P energy: -91.019
tors. eta vs tors. theta energy: -193.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2184.262275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.262275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.262275 (E_RNA)
where:
Base-Base interactions energy: -1548.084
where: short stacking energy: -602.321
Base-Backbone interact. energy: 0.997
local terms energy: -637.175023
where:
bonds (distance) C4'-P energy: -118.512
bonds (distance) P-C4' energy: -118.280
flat angles C4'-P-C4' energy: -139.749
flat angles P-C4'-P energy: -85.551
tors. eta vs tors. theta energy: -175.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2055.636753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.636753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.636753 (E_RNA)
where:
Base-Base interactions energy: -1425.768
where: short stacking energy: -574.554
Base-Backbone interact. energy: -1.627
local terms energy: -628.241693
where:
bonds (distance) C4'-P energy: -128.492
bonds (distance) P-C4' energy: -97.644
flat angles C4'-P-C4' energy: -131.575
flat angles P-C4'-P energy: -90.333
tors. eta vs tors. theta energy: -180.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1799.443678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.443678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.443678 (E_RNA)
where:
Base-Base interactions energy: -1257.243
where: short stacking energy: -507.093
Base-Backbone interact. energy: 4.711
local terms energy: -546.911843
where:
bonds (distance) C4'-P energy: -96.044
bonds (distance) P-C4' energy: -105.866
flat angles C4'-P-C4' energy: -131.912
flat angles P-C4'-P energy: -74.739
tors. eta vs tors. theta energy: -138.351
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: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1580.607484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.607484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.607484 (E_RNA)
where:
Base-Base interactions energy: -1091.592
where: short stacking energy: -467.450
Base-Backbone interact. energy: 2.420
local terms energy: -491.435594
where:
bonds (distance) C4'-P energy: -94.376
bonds (distance) P-C4' energy: -95.656
flat angles C4'-P-C4' energy: -115.204
flat angles P-C4'-P energy: -73.614
tors. eta vs tors. theta energy: -112.586
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: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1271.951516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.951516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.951516 (E_RNA)
where:
Base-Base interactions energy: -805.415
where: short stacking energy: -374.078
Base-Backbone interact. energy: 5.096
local terms energy: -471.632890
where:
bonds (distance) C4'-P energy: -109.121
bonds (distance) P-C4' energy: -94.762
flat angles C4'-P-C4' energy: -115.478
flat angles P-C4'-P energy: -71.669
tors. eta vs tors. theta energy: -80.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1138.515246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.515246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.515246 (E_RNA)
where:
Base-Base interactions energy: -713.487
where: short stacking energy: -316.051
Base-Backbone interact. energy: 4.084
local terms energy: -429.112443
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -119.504
flat angles C4'-P-C4' energy: -104.816
flat angles P-C4'-P energy: -62.271
tors. eta vs tors. theta energy: -58.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -429.433914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.433914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.433914 (E_RNA)
where:
Base-Base interactions energy: -116.399
where: short stacking energy: -86.932
Base-Backbone interact. energy: 3.239
local terms energy: -316.274597
where:
bonds (distance) C4'-P energy: -96.249
bonds (distance) P-C4' energy: -120.556
flat angles C4'-P-C4' energy: -79.764
flat angles P-C4'-P energy: -52.948
tors. eta vs tors. theta energy: 33.242
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: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2542.280026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.280026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.280026 (E_RNA)
where:
Base-Base interactions energy: -1799.294
where: short stacking energy: -706.813
Base-Backbone interact. energy: -1.306
local terms energy: -741.679348
where:
bonds (distance) C4'-P energy: -114.690
bonds (distance) P-C4' energy: -128.202
flat angles C4'-P-C4' energy: -156.379
flat angles P-C4'-P energy: -116.710
tors. eta vs tors. theta energy: -225.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2327.740951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.740951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.740951 (E_RNA)
where:
Base-Base interactions energy: -1638.850
where: short stacking energy: -666.227
Base-Backbone interact. energy: 0.249
local terms energy: -689.139702
where:
bonds (distance) C4'-P energy: -123.676
bonds (distance) P-C4' energy: -119.558
flat angles C4'-P-C4' energy: -142.076
flat angles P-C4'-P energy: -99.592
tors. eta vs tors. theta energy: -204.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2253.001965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.001965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.001965 (E_RNA)
where:
Base-Base interactions energy: -1611.778
where: short stacking energy: -634.377
Base-Backbone interact. energy: -1.917
local terms energy: -639.307161
where:
bonds (distance) C4'-P energy: -98.166
bonds (distance) P-C4' energy: -118.207
flat angles C4'-P-C4' energy: -141.760
flat angles P-C4'-P energy: -94.307
tors. eta vs tors. theta energy: -186.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2173.940149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.940149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.940149 (E_RNA)
where:
Base-Base interactions energy: -1539.479
where: short stacking energy: -605.888
Base-Backbone interact. energy: 1.851
local terms energy: -636.312296
where:
bonds (distance) C4'-P energy: -101.465
bonds (distance) P-C4' energy: -117.142
flat angles C4'-P-C4' energy: -139.663
flat angles P-C4'-P energy: -99.964
tors. eta vs tors. theta energy: -178.079
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: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2055.136020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.136020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.136020 (E_RNA)
where:
Base-Base interactions energy: -1427.567
where: short stacking energy: -568.415
Base-Backbone interact. energy: 0.701
local terms energy: -628.270539
where:
bonds (distance) C4'-P energy: -110.984
bonds (distance) P-C4' energy: -117.897
flat angles C4'-P-C4' energy: -127.994
flat angles P-C4'-P energy: -83.099
tors. eta vs tors. theta energy: -188.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1813.425544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.425544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.425544 (E_RNA)
where:
Base-Base interactions energy: -1277.307
where: short stacking energy: -496.809
Base-Backbone interact. energy: 1.953
local terms energy: -538.071371
where:
bonds (distance) C4'-P energy: -91.759
bonds (distance) P-C4' energy: -100.136
flat angles C4'-P-C4' energy: -109.967
flat angles P-C4'-P energy: -88.194
tors. eta vs tors. theta energy: -148.016
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: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1596.650780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.650780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.650780 (E_RNA)
where:
Base-Base interactions energy: -1074.177
where: short stacking energy: -434.354
Base-Backbone interact. energy: -2.025
local terms energy: -520.448509
where:
bonds (distance) C4'-P energy: -92.747
bonds (distance) P-C4' energy: -116.890
flat angles C4'-P-C4' energy: -123.584
flat angles P-C4'-P energy: -71.099
tors. eta vs tors. theta energy: -116.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1244.963631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.963631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.963631 (E_RNA)
where:
Base-Base interactions energy: -783.125
where: short stacking energy: -339.839
Base-Backbone interact. energy: 0.552
local terms energy: -462.390292
where:
bonds (distance) C4'-P energy: -92.918
bonds (distance) P-C4' energy: -125.828
flat angles C4'-P-C4' energy: -77.485
flat angles P-C4'-P energy: -86.817
tors. eta vs tors. theta energy: -79.343
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: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1078.222007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.222007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.222007 (E_RNA)
where:
Base-Base interactions energy: -666.521
where: short stacking energy: -272.673
Base-Backbone interact. energy: 1.064
local terms energy: -412.765384
where:
bonds (distance) C4'-P energy: -102.689
bonds (distance) P-C4' energy: -109.633
flat angles C4'-P-C4' energy: -116.547
flat angles P-C4'-P energy: -42.612
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: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -460.261318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.261318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.261318 (E_RNA)
where:
Base-Base interactions energy: -145.950
where: short stacking energy: -134.499
Base-Backbone interact. energy: 7.839
local terms energy: -322.150753
where:
bonds (distance) C4'-P energy: -100.484
bonds (distance) P-C4' energy: -110.430
flat angles C4'-P-C4' energy: -79.033
flat angles P-C4'-P energy: -54.167
tors. eta vs tors. theta energy: 21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2543.553933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.553933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.553933 (E_RNA)
where:
Base-Base interactions energy: -1791.321
where: short stacking energy: -721.636
Base-Backbone interact. energy: 1.627
local terms energy: -753.859945
where:
bonds (distance) C4'-P energy: -134.359
bonds (distance) P-C4' energy: -125.453
flat angles C4'-P-C4' energy: -162.039
flat angles P-C4'-P energy: -106.155
tors. eta vs tors. theta energy: -225.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2312.949633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.949633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.949633 (E_RNA)
where:
Base-Base interactions energy: -1624.082
where: short stacking energy: -619.554
Base-Backbone interact. energy: 2.490
local terms energy: -691.358070
where:
bonds (distance) C4'-P energy: -129.162
bonds (distance) P-C4' energy: -106.748
flat angles C4'-P-C4' energy: -148.894
flat angles P-C4'-P energy: -109.711
tors. eta vs tors. theta energy: -196.843
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2258.937452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.937452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.937452 (E_RNA)
where:
Base-Base interactions energy: -1607.758
where: short stacking energy: -627.668
Base-Backbone interact. energy: 2.689
local terms energy: -653.868012
where:
bonds (distance) C4'-P energy: -112.501
bonds (distance) P-C4' energy: -115.857
flat angles C4'-P-C4' energy: -132.504
flat angles P-C4'-P energy: -104.998
tors. eta vs tors. theta energy: -188.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2161.145004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.145004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.145004 (E_RNA)
where:
Base-Base interactions energy: -1553.847
where: short stacking energy: -611.838
Base-Backbone interact. energy: -3.065
local terms energy: -604.232930
where:
bonds (distance) C4'-P energy: -98.580
bonds (distance) P-C4' energy: -111.591
flat angles C4'-P-C4' energy: -134.154
flat angles P-C4'-P energy: -85.285
tors. eta vs tors. theta energy: -174.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2075.476088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.476088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.476088 (E_RNA)
where:
Base-Base interactions energy: -1449.064
where: short stacking energy: -587.372
Base-Backbone interact. energy: -1.271
local terms energy: -625.140386
where:
bonds (distance) C4'-P energy: -116.158
bonds (distance) P-C4' energy: -109.296
flat angles C4'-P-C4' energy: -127.864
flat angles P-C4'-P energy: -91.244
tors. eta vs tors. theta energy: -180.578
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: 423
Temperature: 1.150000
Total energy: -1827.647424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.647424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.647424 (E_RNA)
where:
Base-Base interactions energy: -1271.680
where: short stacking energy: -496.572
Base-Backbone interact. energy: -2.015
local terms energy: -553.951922
where:
bonds (distance) C4'-P energy: -90.671
bonds (distance) P-C4' energy: -116.631
flat angles C4'-P-C4' energy: -127.646
flat angles P-C4'-P energy: -76.081
tors. eta vs tors. theta energy: -142.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1646.789466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.789466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.789466 (E_RNA)
where:
Base-Base interactions energy: -1119.417
where: short stacking energy: -463.633
Base-Backbone interact. energy: 1.068
local terms energy: -528.440144
where:
bonds (distance) C4'-P energy: -113.242
bonds (distance) P-C4' energy: -111.733
flat angles C4'-P-C4' energy: -106.509
flat angles P-C4'-P energy: -76.711
tors. eta vs tors. theta energy: -120.246
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1226.517307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.517307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.517307 (E_RNA)
where:
Base-Base interactions energy: -768.439
where: short stacking energy: -351.099
Base-Backbone interact. energy: -0.659
local terms energy: -457.419455
where:
bonds (distance) C4'-P energy: -106.875
bonds (distance) P-C4' energy: -98.123
flat angles C4'-P-C4' energy: -93.840
flat angles P-C4'-P energy: -72.659
tors. eta vs tors. theta energy: -85.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1064.083356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.083356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.083356 (E_RNA)
where:
Base-Base interactions energy: -655.785
where: short stacking energy: -280.052
Base-Backbone interact. energy: -4.283
local terms energy: -404.015671
where:
bonds (distance) C4'-P energy: -104.462
bonds (distance) P-C4' energy: -97.021
flat angles C4'-P-C4' energy: -91.137
flat angles P-C4'-P energy: -58.856
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: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -461.116771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.116771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.116771 (E_RNA)
where:
Base-Base interactions energy: -149.212
where: short stacking energy: -126.995
Base-Backbone interact. energy: 6.137
local terms energy: -318.040984
where:
bonds (distance) C4'-P energy: -99.392
bonds (distance) P-C4' energy: -111.090
flat angles C4'-P-C4' energy: -84.020
flat angles P-C4'-P energy: -59.143
tors. eta vs tors. theta energy: 35.604
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: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2516.820399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.820399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.820399 (E_RNA)
where:
Base-Base interactions energy: -1784.909
where: short stacking energy: -732.241
Base-Backbone interact. energy: -2.220
local terms energy: -729.691419
where:
bonds (distance) C4'-P energy: -127.239
bonds (distance) P-C4' energy: -122.624
flat angles C4'-P-C4' energy: -149.512
flat angles P-C4'-P energy: -105.288
tors. eta vs tors. theta energy: -225.029
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: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2341.006684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.006684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.006684 (E_RNA)
where:
Base-Base interactions energy: -1688.992
where: short stacking energy: -645.768
Base-Backbone interact. energy: -6.527
local terms energy: -645.486921
where:
bonds (distance) C4'-P energy: -118.100
bonds (distance) P-C4' energy: -101.165
flat angles C4'-P-C4' energy: -141.812
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -202.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2255.290913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.290913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.290913 (E_RNA)
where:
Base-Base interactions energy: -1646.041
where: short stacking energy: -644.663
Base-Backbone interact. energy: 0.817
local terms energy: -610.066951
where:
bonds (distance) C4'-P energy: -101.372
bonds (distance) P-C4' energy: -100.989
flat angles C4'-P-C4' energy: -133.029
flat angles P-C4'-P energy: -86.679
tors. eta vs tors. theta energy: -187.997
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: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2181.973608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.973608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.973608 (E_RNA)
where:
Base-Base interactions energy: -1556.903
where: short stacking energy: -589.362
Base-Backbone interact. energy: -0.794
local terms energy: -624.276435
where:
bonds (distance) C4'-P energy: -97.858
bonds (distance) P-C4' energy: -124.591
flat angles C4'-P-C4' energy: -139.284
flat angles P-C4'-P energy: -89.611
tors. eta vs tors. theta energy: -172.932
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: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2094.681820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.681820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.681820 (E_RNA)
where:
Base-Base interactions energy: -1485.903
where: short stacking energy: -579.359
Base-Backbone interact. energy: -0.184
local terms energy: -608.594971
where:
bonds (distance) C4'-P energy: -97.333
bonds (distance) P-C4' energy: -113.744
flat angles C4'-P-C4' energy: -132.475
flat angles P-C4'-P energy: -83.906
tors. eta vs tors. theta energy: -181.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1785.110806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.110806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.110806 (E_RNA)
where:
Base-Base interactions energy: -1222.737
where: short stacking energy: -489.685
Base-Backbone interact. energy: -0.245
local terms energy: -562.128534
where:
bonds (distance) C4'-P energy: -106.417
bonds (distance) P-C4' energy: -112.479
flat angles C4'-P-C4' energy: -125.569
flat angles P-C4'-P energy: -74.288
tors. eta vs tors. theta energy: -143.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1653.252988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.252988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.252988 (E_RNA)
where:
Base-Base interactions energy: -1118.757
where: short stacking energy: -467.795
Base-Backbone interact. energy: 1.528
local terms energy: -536.023553
where:
bonds (distance) C4'-P energy: -86.775
bonds (distance) P-C4' energy: -112.700
flat angles C4'-P-C4' energy: -120.755
flat angles P-C4'-P energy: -75.706
tors. eta vs tors. theta energy: -140.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1145.514052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.514052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.514052 (E_RNA)
where:
Base-Base interactions energy: -699.774
where: short stacking energy: -290.574
Base-Backbone interact. energy: 0.701
local terms energy: -446.440940
where:
bonds (distance) C4'-P energy: -112.833
bonds (distance) P-C4' energy: -108.589
flat angles C4'-P-C4' energy: -114.501
flat angles P-C4'-P energy: -53.280
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1050.710786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.710786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.710786 (E_RNA)
where:
Base-Base interactions energy: -603.983
where: short stacking energy: -279.123
Base-Backbone interact. energy: -0.162
local terms energy: -446.565987
where:
bonds (distance) C4'-P energy: -99.516
bonds (distance) P-C4' energy: -110.557
flat angles C4'-P-C4' energy: -101.996
flat angles P-C4'-P energy: -85.261
tors. eta vs tors. theta energy: -49.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -434.512312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.512312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.512312 (E_RNA)
where:
Base-Base interactions energy: -127.639
where: short stacking energy: -113.871
Base-Backbone interact. energy: 3.320
local terms energy: -310.193408
where:
bonds (distance) C4'-P energy: -106.414
bonds (distance) P-C4' energy: -114.635
flat angles C4'-P-C4' energy: -80.526
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: 32.609
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: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2536.834440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.834440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.834440 (E_RNA)
where:
Base-Base interactions energy: -1795.221
where: short stacking energy: -726.869
Base-Backbone interact. energy: 4.558
local terms energy: -746.171868
where:
bonds (distance) C4'-P energy: -131.147
bonds (distance) P-C4' energy: -135.843
flat angles C4'-P-C4' energy: -148.766
flat angles P-C4'-P energy: -106.703
tors. eta vs tors. theta energy: -223.713
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: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2278.344425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.344425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.344425 (E_RNA)
where:
Base-Base interactions energy: -1635.011
where: short stacking energy: -606.304
Base-Backbone interact. energy: -2.474
local terms energy: -640.859307
where:
bonds (distance) C4'-P energy: -114.271
bonds (distance) P-C4' energy: -115.612
flat angles C4'-P-C4' energy: -120.314
flat angles P-C4'-P energy: -103.306
tors. eta vs tors. theta energy: -187.356
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: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2289.632403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.632403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.632403 (E_RNA)
where:
Base-Base interactions energy: -1622.234
where: short stacking energy: -632.722
Base-Backbone interact. energy: -6.271
local terms energy: -661.128042
where:
bonds (distance) C4'-P energy: -107.635
bonds (distance) P-C4' energy: -114.861
flat angles C4'-P-C4' energy: -143.538
flat angles P-C4'-P energy: -97.740
tors. eta vs tors. theta energy: -197.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2186.608682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.608682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.608682 (E_RNA)
where:
Base-Base interactions energy: -1558.576
where: short stacking energy: -580.866
Base-Backbone interact. energy: -0.612
local terms energy: -627.420945
where:
bonds (distance) C4'-P energy: -108.267
bonds (distance) P-C4' energy: -114.406
flat angles C4'-P-C4' energy: -139.064
flat angles P-C4'-P energy: -95.271
tors. eta vs tors. theta energy: -170.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2126.305435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.305435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.305435 (E_RNA)
where:
Base-Base interactions energy: -1514.899
where: short stacking energy: -597.388
Base-Backbone interact. energy: -3.350
local terms energy: -608.055892
where:
bonds (distance) C4'-P energy: -96.455
bonds (distance) P-C4' energy: -112.245
flat angles C4'-P-C4' energy: -135.366
flat angles P-C4'-P energy: -81.717
tors. eta vs tors. theta energy: -182.272
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: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1791.073032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.073032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.073032 (E_RNA)
where:
Base-Base interactions energy: -1230.415
where: short stacking energy: -501.504
Base-Backbone interact. energy: 4.581
local terms energy: -565.239014
where:
bonds (distance) C4'-P energy: -117.466
bonds (distance) P-C4' energy: -101.728
flat angles C4'-P-C4' energy: -119.124
flat angles P-C4'-P energy: -93.445
tors. eta vs tors. theta energy: -133.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1621.613080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.613080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.613080 (E_RNA)
where:
Base-Base interactions energy: -1089.122
where: short stacking energy: -446.428
Base-Backbone interact. energy: -2.644
local terms energy: -529.847241
where:
bonds (distance) C4'-P energy: -106.462
bonds (distance) P-C4' energy: -98.437
flat angles C4'-P-C4' energy: -122.221
flat angles P-C4'-P energy: -72.250
tors. eta vs tors. theta energy: -130.477
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: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1155.451102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.451102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.451102 (E_RNA)
where:
Base-Base interactions energy: -707.772
where: short stacking energy: -329.799
Base-Backbone interact. energy: 0.455
local terms energy: -448.134350
where:
bonds (distance) C4'-P energy: -102.385
bonds (distance) P-C4' energy: -103.271
flat angles C4'-P-C4' energy: -110.955
flat angles P-C4'-P energy: -59.836
tors. eta vs tors. theta energy: -71.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1014.598030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.598030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.598030 (E_RNA)
where:
Base-Base interactions energy: -608.391
where: short stacking energy: -296.029
Base-Backbone interact. energy: 0.067
local terms energy: -406.274031
where:
bonds (distance) C4'-P energy: -87.822
bonds (distance) P-C4' energy: -96.121
flat angles C4'-P-C4' energy: -105.966
flat angles P-C4'-P energy: -66.309
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: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -493.765424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.765424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.765424 (E_RNA)
where:
Base-Base interactions energy: -147.692
where: short stacking energy: -134.893
Base-Backbone interact. energy: -2.668
local terms energy: -343.404975
where:
bonds (distance) C4'-P energy: -107.181
bonds (distance) P-C4' energy: -103.940
flat angles C4'-P-C4' energy: -83.672
flat angles P-C4'-P energy: -61.162
tors. eta vs tors. theta energy: 12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2545.343332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.343332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.343332 (E_RNA)
where:
Base-Base interactions energy: -1795.691
where: short stacking energy: -735.989
Base-Backbone interact. energy: -1.569
local terms energy: -748.083004
where:
bonds (distance) C4'-P energy: -121.882
bonds (distance) P-C4' energy: -128.338
flat angles C4'-P-C4' energy: -149.111
flat angles P-C4'-P energy: -115.480
tors. eta vs tors. theta energy: -233.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2307.456325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.456325 (E_RNA)
where:
Base-Base interactions energy: -1657.641
where: short stacking energy: -633.517
Base-Backbone interact. energy: -1.503
local terms energy: -648.312449
where:
bonds (distance) C4'-P energy: -116.916
bonds (distance) P-C4' energy: -121.467
flat angles C4'-P-C4' energy: -127.458
flat angles P-C4'-P energy: -96.125
tors. eta vs tors. theta energy: -186.346
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: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2276.791426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.791426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.791426 (E_RNA)
where:
Base-Base interactions energy: -1617.694
where: short stacking energy: -647.191
Base-Backbone interact. energy: -2.225
local terms energy: -656.872624
where:
bonds (distance) C4'-P energy: -109.722
bonds (distance) P-C4' energy: -115.087
flat angles C4'-P-C4' energy: -142.963
flat angles P-C4'-P energy: -87.792
tors. eta vs tors. theta energy: -201.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2125.791247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.791247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.791247 (E_RNA)
where:
Base-Base interactions energy: -1526.739
where: short stacking energy: -582.147
Base-Backbone interact. energy: 6.339
local terms energy: -605.391646
where:
bonds (distance) C4'-P energy: -109.555
bonds (distance) P-C4' energy: -107.839
flat angles C4'-P-C4' energy: -121.458
flat angles P-C4'-P energy: -92.269
tors. eta vs tors. theta energy: -174.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2118.082634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.082634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.082634 (E_RNA)
where:
Base-Base interactions energy: -1474.919
where: short stacking energy: -590.074
Base-Backbone interact. energy: -0.263
local terms energy: -642.900630
where:
bonds (distance) C4'-P energy: -119.630
bonds (distance) P-C4' energy: -105.812
flat angles C4'-P-C4' energy: -133.636
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -187.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1858.361934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.361934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.361934 (E_RNA)
where:
Base-Base interactions energy: -1286.745
where: short stacking energy: -510.094
Base-Backbone interact. energy: -2.559
local terms energy: -569.057952
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -110.706
flat angles C4'-P-C4' energy: -125.460
flat angles P-C4'-P energy: -84.857
tors. eta vs tors. theta energy: -148.172
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: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1577.723164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.723164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.723164 (E_RNA)
where:
Base-Base interactions energy: -1044.136
where: short stacking energy: -434.689
Base-Backbone interact. energy: 3.925
local terms energy: -537.512673
where:
bonds (distance) C4'-P energy: -109.629
bonds (distance) P-C4' energy: -102.072
flat angles C4'-P-C4' energy: -110.721
flat angles P-C4'-P energy: -79.880
tors. eta vs tors. theta energy: -135.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1174.426408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.426408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.426408 (E_RNA)
where:
Base-Base interactions energy: -698.026
where: short stacking energy: -330.584
Base-Backbone interact. energy: 1.140
local terms energy: -477.539929
where:
bonds (distance) C4'-P energy: -102.119
bonds (distance) P-C4' energy: -91.631
flat angles C4'-P-C4' energy: -111.792
flat angles P-C4'-P energy: -96.585
tors. eta vs tors. theta energy: -75.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1042.372885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.372885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.372885 (E_RNA)
where:
Base-Base interactions energy: -631.497
where: short stacking energy: -296.189
Base-Backbone interact. energy: 1.900
local terms energy: -412.776084
where:
bonds (distance) C4'-P energy: -92.351
bonds (distance) P-C4' energy: -111.918
flat angles C4'-P-C4' energy: -89.628
flat angles P-C4'-P energy: -64.983
tors. eta vs tors. theta energy: -53.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -465.967741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.967741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.967741 (E_RNA)
where:
Base-Base interactions energy: -131.378
where: short stacking energy: -118.569
Base-Backbone interact. energy: 1.142
local terms energy: -335.731652
where:
bonds (distance) C4'-P energy: -103.470
bonds (distance) P-C4' energy: -119.368
flat angles C4'-P-C4' energy: -83.390
flat angles P-C4'-P energy: -34.360
tors. eta vs tors. theta energy: 4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2517.359278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.359278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.359278 (E_RNA)
where:
Base-Base interactions energy: -1792.033
where: short stacking energy: -724.162
Base-Backbone interact. energy: -1.988
local terms energy: -723.338601
where:
bonds (distance) C4'-P energy: -122.110
bonds (distance) P-C4' energy: -110.890
flat angles C4'-P-C4' energy: -158.804
flat angles P-C4'-P energy: -107.364
tors. eta vs tors. theta energy: -224.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2282.513813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.513813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.513813 (E_RNA)
where:
Base-Base interactions energy: -1658.586
where: short stacking energy: -643.752
Base-Backbone interact. energy: 4.648
local terms energy: -628.575938
where:
bonds (distance) C4'-P energy: -107.127
bonds (distance) P-C4' energy: -111.274
flat angles C4'-P-C4' energy: -126.912
flat angles P-C4'-P energy: -84.026
tors. eta vs tors. theta energy: -199.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2321.225617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.225617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.225617 (E_RNA)
where:
Base-Base interactions energy: -1638.482
where: short stacking energy: -644.245
Base-Backbone interact. energy: -3.399
local terms energy: -679.344866
where:
bonds (distance) C4'-P energy: -116.156
bonds (distance) P-C4' energy: -125.784
flat angles C4'-P-C4' energy: -138.046
flat angles P-C4'-P energy: -97.429
tors. eta vs tors. theta energy: -201.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2124.403302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.403302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.403302 (E_RNA)
where:
Base-Base interactions energy: -1518.255
where: short stacking energy: -607.743
Base-Backbone interact. energy: 1.310
local terms energy: -607.458446
where:
bonds (distance) C4'-P energy: -100.083
bonds (distance) P-C4' energy: -101.745
flat angles C4'-P-C4' energy: -135.250
flat angles P-C4'-P energy: -83.160
tors. eta vs tors. theta energy: -187.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2145.972732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.972732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.972732 (E_RNA)
where:
Base-Base interactions energy: -1509.920
where: short stacking energy: -584.525
Base-Backbone interact. energy: -4.141
local terms energy: -631.911909
where:
bonds (distance) C4'-P energy: -110.738
bonds (distance) P-C4' energy: -111.504
flat angles C4'-P-C4' energy: -141.932
flat angles P-C4'-P energy: -97.129
tors. eta vs tors. theta energy: -170.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1840.591089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.591089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.591089 (E_RNA)
where:
Base-Base interactions energy: -1223.431
where: short stacking energy: -485.149
Base-Backbone interact. energy: -1.788
local terms energy: -615.372323
where:
bonds (distance) C4'-P energy: -119.895
bonds (distance) P-C4' energy: -124.842
flat angles C4'-P-C4' energy: -125.750
flat angles P-C4'-P energy: -81.674
tors. eta vs tors. theta energy: -163.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1593.526004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.526004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.526004 (E_RNA)
where:
Base-Base interactions energy: -1080.265
where: short stacking energy: -441.734
Base-Backbone interact. energy: -3.430
local terms energy: -509.830681
where:
bonds (distance) C4'-P energy: -98.800
bonds (distance) P-C4' energy: -107.486
flat angles C4'-P-C4' energy: -119.025
flat angles P-C4'-P energy: -71.229
tors. eta vs tors. theta energy: -113.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1212.449282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.449282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.449282 (E_RNA)
where:
Base-Base interactions energy: -756.147
where: short stacking energy: -318.169
Base-Backbone interact. energy: -4.095
local terms energy: -452.207579
where:
bonds (distance) C4'-P energy: -103.033
bonds (distance) P-C4' energy: -106.727
flat angles C4'-P-C4' energy: -114.370
flat angles P-C4'-P energy: -76.070
tors. eta vs tors. theta energy: -52.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -974.342696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.342696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.342696 (E_RNA)
where:
Base-Base interactions energy: -570.680
where: short stacking energy: -283.187
Base-Backbone interact. energy: -0.088
local terms energy: -403.575383
where:
bonds (distance) C4'-P energy: -93.664
bonds (distance) P-C4' energy: -97.020
flat angles C4'-P-C4' energy: -101.987
flat angles P-C4'-P energy: -59.946
tors. eta vs tors. theta energy: -50.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -502.955669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.955669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.955669 (E_RNA)
where:
Base-Base interactions energy: -198.594
where: short stacking energy: -132.694
Base-Backbone interact. energy: 3.380
local terms energy: -307.741455
where:
bonds (distance) C4'-P energy: -91.940
bonds (distance) P-C4' energy: -113.689
flat angles C4'-P-C4' energy: -68.085
flat angles P-C4'-P energy: -47.827
tors. eta vs tors. theta energy: 13.799
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: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2502.424445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.424445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.424445 (E_RNA)
where:
Base-Base interactions energy: -1788.810
where: short stacking energy: -718.344
Base-Backbone interact. energy: 0.738
local terms energy: -714.352852
where:
bonds (distance) C4'-P energy: -114.352
bonds (distance) P-C4' energy: -119.202
flat angles C4'-P-C4' energy: -149.079
flat angles P-C4'-P energy: -108.627
tors. eta vs tors. theta energy: -223.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2322.701474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.701474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.701474 (E_RNA)
where:
Base-Base interactions energy: -1632.523
where: short stacking energy: -665.013
Base-Backbone interact. energy: -1.365
local terms energy: -688.812773
where:
bonds (distance) C4'-P energy: -128.007
bonds (distance) P-C4' energy: -128.668
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -94.262
tors. eta vs tors. theta energy: -203.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2294.731743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.731743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.731743 (E_RNA)
where:
Base-Base interactions energy: -1611.958
where: short stacking energy: -631.829
Base-Backbone interact. energy: -6.406
local terms energy: -676.367480
where:
bonds (distance) C4'-P energy: -113.218
bonds (distance) P-C4' energy: -122.027
flat angles C4'-P-C4' energy: -148.426
flat angles P-C4'-P energy: -98.508
tors. eta vs tors. theta energy: -194.188
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: 428
Temperature: 1.050000
Total energy: -2145.213684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.213684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.213684 (E_RNA)
where:
Base-Base interactions energy: -1535.502
where: short stacking energy: -591.816
Base-Backbone interact. energy: -1.127
local terms energy: -608.585488
where:
bonds (distance) C4'-P energy: -115.472
bonds (distance) P-C4' energy: -101.444
flat angles C4'-P-C4' energy: -126.774
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -175.718
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: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2128.755616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.755616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.755616 (E_RNA)
where:
Base-Base interactions energy: -1495.578
where: short stacking energy: -578.477
Base-Backbone interact. energy: -5.207
local terms energy: -627.970604
where:
bonds (distance) C4'-P energy: -104.969
bonds (distance) P-C4' energy: -112.514
flat angles C4'-P-C4' energy: -144.991
flat angles P-C4'-P energy: -95.166
tors. eta vs tors. theta energy: -170.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1837.327058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.327058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.327058 (E_RNA)
where:
Base-Base interactions energy: -1261.924
where: short stacking energy: -522.516
Base-Backbone interact. energy: 2.603
local terms energy: -578.006090
where:
bonds (distance) C4'-P energy: -118.302
bonds (distance) P-C4' energy: -93.090
flat angles C4'-P-C4' energy: -124.356
flat angles P-C4'-P energy: -87.927
tors. eta vs tors. theta energy: -154.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1626.222544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.222544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.222544 (E_RNA)
where:
Base-Base interactions energy: -1084.882
where: short stacking energy: -455.162
Base-Backbone interact. energy: -1.356
local terms energy: -539.984287
where:
bonds (distance) C4'-P energy: -99.280
bonds (distance) P-C4' energy: -100.272
flat angles C4'-P-C4' energy: -117.723
flat angles P-C4'-P energy: -79.409
tors. eta vs tors. theta energy: -143.300
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: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1235.696223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.696223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.696223 (E_RNA)
where:
Base-Base interactions energy: -785.995
where: short stacking energy: -359.620
Base-Backbone interact. energy: 1.325
local terms energy: -451.026870
where:
bonds (distance) C4'-P energy: -97.503
bonds (distance) P-C4' energy: -108.126
flat angles C4'-P-C4' energy: -99.386
flat angles P-C4'-P energy: -51.589
tors. eta vs tors. theta energy: -94.422
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: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -971.905707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.905707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.905707 (E_RNA)
where:
Base-Base interactions energy: -569.721
where: short stacking energy: -262.469
Base-Backbone interact. energy: 4.301
local terms energy: -406.485742
where:
bonds (distance) C4'-P energy: -80.686
bonds (distance) P-C4' energy: -105.230
flat angles C4'-P-C4' energy: -99.518
flat angles P-C4'-P energy: -65.297
tors. eta vs tors. theta energy: -55.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -454.286531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.286531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.286531 (E_RNA)
where:
Base-Base interactions energy: -171.424
where: short stacking energy: -119.230
Base-Backbone interact. energy: -0.130
local terms energy: -282.732963
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -109.958
flat angles C4'-P-C4' energy: -89.459
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: 27.887
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: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2486.516863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.516863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.516863 (E_RNA)
where:
Base-Base interactions energy: -1761.634
where: short stacking energy: -702.985
Base-Backbone interact. energy: -3.558
local terms energy: -721.324686
where:
bonds (distance) C4'-P energy: -121.885
bonds (distance) P-C4' energy: -133.286
flat angles C4'-P-C4' energy: -144.516
flat angles P-C4'-P energy: -101.861
tors. eta vs tors. theta energy: -219.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2338.041701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.041701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.041701 (E_RNA)
where:
Base-Base interactions energy: -1666.191
where: short stacking energy: -644.558
Base-Backbone interact. energy: -2.574
local terms energy: -669.277169
where:
bonds (distance) C4'-P energy: -115.539
bonds (distance) P-C4' energy: -118.349
flat angles C4'-P-C4' energy: -136.341
flat angles P-C4'-P energy: -97.558
tors. eta vs tors. theta energy: -201.489
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: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2271.852088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.852088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.852088 (E_RNA)
where:
Base-Base interactions energy: -1592.729
where: short stacking energy: -619.171
Base-Backbone interact. energy: -5.421
local terms energy: -673.701839
where:
bonds (distance) C4'-P energy: -123.193
bonds (distance) P-C4' energy: -115.453
flat angles C4'-P-C4' energy: -136.554
flat angles P-C4'-P energy: -97.258
tors. eta vs tors. theta energy: -201.244
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: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2129.832458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.832458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.832458 (E_RNA)
where:
Base-Base interactions energy: -1498.643
where: short stacking energy: -589.107
Base-Backbone interact. energy: 0.183
local terms energy: -631.372435
where:
bonds (distance) C4'-P energy: -123.663
bonds (distance) P-C4' energy: -108.242
flat angles C4'-P-C4' energy: -134.069
flat angles P-C4'-P energy: -83.827
tors. eta vs tors. theta energy: -181.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2039.450556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.450556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.450556 (E_RNA)
where:
Base-Base interactions energy: -1443.477
where: short stacking energy: -535.290
Base-Backbone interact. energy: 0.619
local terms energy: -596.593079
where:
bonds (distance) C4'-P energy: -109.892
bonds (distance) P-C4' energy: -100.877
flat angles C4'-P-C4' energy: -136.862
flat angles P-C4'-P energy: -77.945
tors. eta vs tors. theta energy: -171.017
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: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1828.008974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.008974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.008974 (E_RNA)
where:
Base-Base interactions energy: -1247.389
where: short stacking energy: -485.175
Base-Backbone interact. energy: -2.123
local terms energy: -578.496981
where:
bonds (distance) C4'-P energy: -121.478
bonds (distance) P-C4' energy: -115.265
flat angles C4'-P-C4' energy: -126.856
flat angles P-C4'-P energy: -76.081
tors. eta vs tors. theta energy: -138.817
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: 429
Temperature: 1.200000
Total energy: -1603.965555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.965555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.965555 (E_RNA)
where:
Base-Base interactions energy: -1076.211
where: short stacking energy: -455.249
Base-Backbone interact. energy: -1.837
local terms energy: -525.917648
where:
bonds (distance) C4'-P energy: -115.611
bonds (distance) P-C4' energy: -97.124
flat angles C4'-P-C4' energy: -122.350
flat angles P-C4'-P energy: -74.013
tors. eta vs tors. theta energy: -116.819
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: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1224.465910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.465910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.465910 (E_RNA)
where:
Base-Base interactions energy: -748.273
where: short stacking energy: -339.941
Base-Backbone interact. energy: -1.513
local terms energy: -474.679926
where:
bonds (distance) C4'-P energy: -114.395
bonds (distance) P-C4' energy: -106.322
flat angles C4'-P-C4' energy: -104.396
flat angles P-C4'-P energy: -70.093
tors. eta vs tors. theta energy: -79.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -954.186643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.186643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.186643 (E_RNA)
where:
Base-Base interactions energy: -535.007
where: short stacking energy: -250.055
Base-Backbone interact. energy: -1.637
local terms energy: -417.542127
where:
bonds (distance) C4'-P energy: -128.744
bonds (distance) P-C4' energy: -102.669
flat angles C4'-P-C4' energy: -104.237
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -30.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -481.930926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.930926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.930926 (E_RNA)
where:
Base-Base interactions energy: -172.496
where: short stacking energy: -140.936
Base-Backbone interact. energy: 7.738
local terms energy: -317.173035
where:
bonds (distance) C4'-P energy: -106.153
bonds (distance) P-C4' energy: -80.707
flat angles C4'-P-C4' energy: -84.832
flat angles P-C4'-P energy: -56.769
tors. eta vs tors. theta energy: 11.288
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: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2502.448974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.448974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.448974 (E_RNA)
where:
Base-Base interactions energy: -1765.217
where: short stacking energy: -711.060
Base-Backbone interact. energy: -0.072
local terms energy: -737.159912
where:
bonds (distance) C4'-P energy: -131.995
bonds (distance) P-C4' energy: -115.750
flat angles C4'-P-C4' energy: -152.393
flat angles P-C4'-P energy: -107.698
tors. eta vs tors. theta energy: -229.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2321.596919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.596919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.596919 (E_RNA)
where:
Base-Base interactions energy: -1639.977
where: short stacking energy: -661.044
Base-Backbone interact. energy: -3.194
local terms energy: -678.426505
where:
bonds (distance) C4'-P energy: -116.538
bonds (distance) P-C4' energy: -125.780
flat angles C4'-P-C4' energy: -151.169
flat angles P-C4'-P energy: -85.644
tors. eta vs tors. theta energy: -199.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2277.939310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.939310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.939310 (E_RNA)
where:
Base-Base interactions energy: -1616.167
where: short stacking energy: -633.236
Base-Backbone interact. energy: 0.724
local terms energy: -662.496278
where:
bonds (distance) C4'-P energy: -117.728
bonds (distance) P-C4' energy: -121.590
flat angles C4'-P-C4' energy: -143.173
flat angles P-C4'-P energy: -85.232
tors. eta vs tors. theta energy: -194.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2169.266722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.266722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.266722 (E_RNA)
where:
Base-Base interactions energy: -1530.487
where: short stacking energy: -596.938
Base-Backbone interact. energy: 6.978
local terms energy: -645.757971
where:
bonds (distance) C4'-P energy: -100.007
bonds (distance) P-C4' energy: -117.378
flat angles C4'-P-C4' energy: -133.219
flat angles P-C4'-P energy: -104.207
tors. eta vs tors. theta energy: -190.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2069.469862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.469862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.469862 (E_RNA)
where:
Base-Base interactions energy: -1472.377
where: short stacking energy: -603.070
Base-Backbone interact. energy: -1.319
local terms energy: -595.773168
where:
bonds (distance) C4'-P energy: -109.697
bonds (distance) P-C4' energy: -102.605
flat angles C4'-P-C4' energy: -134.355
flat angles P-C4'-P energy: -74.228
tors. eta vs tors. theta energy: -174.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1834.056409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.056409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.056409 (E_RNA)
where:
Base-Base interactions energy: -1267.513
where: short stacking energy: -501.822
Base-Backbone interact. energy: -1.102
local terms energy: -565.440787
where:
bonds (distance) C4'-P energy: -109.903
bonds (distance) P-C4' energy: -109.715
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -89.350
tors. eta vs tors. theta energy: -145.804
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: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1692.273772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.273772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.273772 (E_RNA)
where:
Base-Base interactions energy: -1153.271
where: short stacking energy: -470.584
Base-Backbone interact. energy: 1.346
local terms energy: -540.349005
where:
bonds (distance) C4'-P energy: -105.524
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -118.072
flat angles P-C4'-P energy: -71.499
tors. eta vs tors. theta energy: -143.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1199.290982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.290982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.290982 (E_RNA)
where:
Base-Base interactions energy: -757.346
where: short stacking energy: -341.986
Base-Backbone interact. energy: -1.829
local terms energy: -440.115694
where:
bonds (distance) C4'-P energy: -93.198
bonds (distance) P-C4' energy: -100.092
flat angles C4'-P-C4' energy: -104.424
flat angles P-C4'-P energy: -70.794
tors. eta vs tors. theta energy: -71.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -957.996922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.996922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.996922 (E_RNA)
where:
Base-Base interactions energy: -556.623
where: short stacking energy: -264.349
Base-Backbone interact. energy: -1.641
local terms energy: -399.732130
where:
bonds (distance) C4'-P energy: -105.984
bonds (distance) P-C4' energy: -103.199
flat angles C4'-P-C4' energy: -99.270
flat angles P-C4'-P energy: -56.294
tors. eta vs tors. theta energy: -34.985
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: 430
Temperature: 1.350000
Total energy: -451.714805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.714805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.714805 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -126.178
Base-Backbone interact. energy: 0.501
local terms energy: -302.978918
where:
bonds (distance) C4'-P energy: -89.102
bonds (distance) P-C4' energy: -105.687
flat angles C4'-P-C4' energy: -77.176
flat angles P-C4'-P energy: -47.846
tors. eta vs tors. theta energy: 16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2509.922959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.922959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.922959 (E_RNA)
where:
Base-Base interactions energy: -1770.217
where: short stacking energy: -722.866
Base-Backbone interact. energy: -2.205
local terms energy: -737.501337
where:
bonds (distance) C4'-P energy: -126.459
bonds (distance) P-C4' energy: -131.751
flat angles C4'-P-C4' energy: -151.640
flat angles P-C4'-P energy: -103.545
tors. eta vs tors. theta energy: -224.106
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: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2344.219415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.219415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.219415 (E_RNA)
where:
Base-Base interactions energy: -1675.794
where: short stacking energy: -639.836
Base-Backbone interact. energy: -2.725
local terms energy: -665.699751
where:
bonds (distance) C4'-P energy: -118.892
bonds (distance) P-C4' energy: -104.007
flat angles C4'-P-C4' energy: -144.475
flat angles P-C4'-P energy: -96.094
tors. eta vs tors. theta energy: -202.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2308.372873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.372873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.372873 (E_RNA)
where:
Base-Base interactions energy: -1635.932
where: short stacking energy: -678.747
Base-Backbone interact. energy: -1.379
local terms energy: -671.062506
where:
bonds (distance) C4'-P energy: -105.751
bonds (distance) P-C4' energy: -110.595
flat angles C4'-P-C4' energy: -147.796
flat angles P-C4'-P energy: -98.809
tors. eta vs tors. theta energy: -208.111
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: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2141.082485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.082485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.082485 (E_RNA)
where:
Base-Base interactions energy: -1520.148
where: short stacking energy: -598.509
Base-Backbone interact. energy: -0.048
local terms energy: -620.886035
where:
bonds (distance) C4'-P energy: -101.006
bonds (distance) P-C4' energy: -121.012
flat angles C4'-P-C4' energy: -131.978
flat angles P-C4'-P energy: -91.276
tors. eta vs tors. theta energy: -175.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2047.786570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.786570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.786570 (E_RNA)
where:
Base-Base interactions energy: -1444.764
where: short stacking energy: -566.657
Base-Backbone interact. energy: -2.579
local terms energy: -600.443741
where:
bonds (distance) C4'-P energy: -104.078
bonds (distance) P-C4' energy: -118.128
flat angles C4'-P-C4' energy: -125.743
flat angles P-C4'-P energy: -81.764
tors. eta vs tors. theta energy: -170.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1871.263750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.263750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.263750 (E_RNA)
where:
Base-Base interactions energy: -1267.332
where: short stacking energy: -497.833
Base-Backbone interact. energy: -2.197
local terms energy: -601.734854
where:
bonds (distance) C4'-P energy: -122.432
bonds (distance) P-C4' energy: -111.169
flat angles C4'-P-C4' energy: -134.057
flat angles P-C4'-P energy: -86.542
tors. eta vs tors. theta energy: -147.534
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: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1632.835204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.835204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.835204 (E_RNA)
where:
Base-Base interactions energy: -1117.192
where: short stacking energy: -434.605
Base-Backbone interact. energy: 5.793
local terms energy: -521.436236
where:
bonds (distance) C4'-P energy: -90.585
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -115.204
flat angles P-C4'-P energy: -81.967
tors. eta vs tors. theta energy: -131.243
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: 431
Temperature: 1.250000
Total energy: -1190.981125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.981125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.981125 (E_RNA)
where:
Base-Base interactions energy: -720.519
where: short stacking energy: -319.065
Base-Backbone interact. energy: -1.374
local terms energy: -469.088097
where:
bonds (distance) C4'-P energy: -113.590
bonds (distance) P-C4' energy: -101.611
flat angles C4'-P-C4' energy: -110.475
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -69.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -962.611508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.611508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.611508 (E_RNA)
where:
Base-Base interactions energy: -558.467
where: short stacking energy: -262.978
Base-Backbone interact. energy: -2.001
local terms energy: -402.143196
where:
bonds (distance) C4'-P energy: -120.660
bonds (distance) P-C4' energy: -99.385
flat angles C4'-P-C4' energy: -88.823
flat angles P-C4'-P energy: -58.303
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: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -493.014955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.014955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.014955 (E_RNA)
where:
Base-Base interactions energy: -179.242
where: short stacking energy: -138.202
Base-Backbone interact. energy: 5.599
local terms energy: -319.371909
where:
bonds (distance) C4'-P energy: -100.889
bonds (distance) P-C4' energy: -110.577
flat angles C4'-P-C4' energy: -78.254
flat angles P-C4'-P energy: -62.026
tors. eta vs tors. theta energy: 32.374
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: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2501.137184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.137184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.137184 (E_RNA)
where:
Base-Base interactions energy: -1784.081
where: short stacking energy: -720.023
Base-Backbone interact. energy: -0.451
local terms energy: -716.605007
where:
bonds (distance) C4'-P energy: -127.557
bonds (distance) P-C4' energy: -114.644
flat angles C4'-P-C4' energy: -149.908
flat angles P-C4'-P energy: -96.312
tors. eta vs tors. theta energy: -228.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2350.803653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.803653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.803653 (E_RNA)
where:
Base-Base interactions energy: -1673.031
where: short stacking energy: -650.065
Base-Backbone interact. energy: -4.597
local terms energy: -673.175446
where:
bonds (distance) C4'-P energy: -119.706
bonds (distance) P-C4' energy: -109.901
flat angles C4'-P-C4' energy: -146.774
flat angles P-C4'-P energy: -95.393
tors. eta vs tors. theta energy: -201.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2288.983496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.983496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.983496 (E_RNA)
where:
Base-Base interactions energy: -1597.201
where: short stacking energy: -629.562
Base-Backbone interact. energy: -0.073
local terms energy: -691.708778
where:
bonds (distance) C4'-P energy: -124.308
bonds (distance) P-C4' energy: -131.392
flat angles C4'-P-C4' energy: -138.251
flat angles P-C4'-P energy: -101.901
tors. eta vs tors. theta energy: -195.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2130.796082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.796082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.796082 (E_RNA)
where:
Base-Base interactions energy: -1507.618
where: short stacking energy: -605.391
Base-Backbone interact. energy: 2.070
local terms energy: -625.247734
where:
bonds (distance) C4'-P energy: -106.598
bonds (distance) P-C4' energy: -113.254
flat angles C4'-P-C4' energy: -123.863
flat angles P-C4'-P energy: -100.298
tors. eta vs tors. theta energy: -181.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2068.467202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.467202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.467202 (E_RNA)
where:
Base-Base interactions energy: -1443.833
where: short stacking energy: -556.881
Base-Backbone interact. energy: 1.214
local terms energy: -625.847663
where:
bonds (distance) C4'-P energy: -118.495
bonds (distance) P-C4' energy: -122.213
flat angles C4'-P-C4' energy: -135.048
flat angles P-C4'-P energy: -87.193
tors. eta vs tors. theta energy: -162.899
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: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1922.603252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.603252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.603252 (E_RNA)
where:
Base-Base interactions energy: -1335.937
where: short stacking energy: -537.847
Base-Backbone interact. energy: -2.476
local terms energy: -584.191070
where:
bonds (distance) C4'-P energy: -113.161
bonds (distance) P-C4' energy: -100.595
flat angles C4'-P-C4' energy: -125.332
flat angles P-C4'-P energy: -85.903
tors. eta vs tors. theta energy: -159.200
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: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1669.619460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.619460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.619460 (E_RNA)
where:
Base-Base interactions energy: -1143.876
where: short stacking energy: -472.570
Base-Backbone interact. energy: -1.099
local terms energy: -524.644542
where:
bonds (distance) C4'-P energy: -90.716
bonds (distance) P-C4' energy: -103.529
flat angles C4'-P-C4' energy: -112.601
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: -141.429
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: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1182.523374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.523374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.523374 (E_RNA)
where:
Base-Base interactions energy: -752.264
where: short stacking energy: -350.532
Base-Backbone interact. energy: 2.151
local terms energy: -432.410297
where:
bonds (distance) C4'-P energy: -111.341
bonds (distance) P-C4' energy: -88.667
flat angles C4'-P-C4' energy: -98.593
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -71.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1015.520682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.520682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.520682 (E_RNA)
where:
Base-Base interactions energy: -578.392
where: short stacking energy: -260.623
Base-Backbone interact. energy: 2.180
local terms energy: -439.309213
where:
bonds (distance) C4'-P energy: -117.169
bonds (distance) P-C4' energy: -117.084
flat angles C4'-P-C4' energy: -105.646
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -50.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -470.901900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.901900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.901900 (E_RNA)
where:
Base-Base interactions energy: -166.561
where: short stacking energy: -117.751
Base-Backbone interact. energy: -3.016
local terms energy: -301.324674
where:
bonds (distance) C4'-P energy: -115.767
bonds (distance) P-C4' energy: -104.504
flat angles C4'-P-C4' energy: -82.351
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: 37.888
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: 433
Temperature: 0.900000
Total energy: -2522.363264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.363264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.363264 (E_RNA)
where:
Base-Base interactions energy: -1794.809
where: short stacking energy: -714.606
Base-Backbone interact. energy: -0.719
local terms energy: -726.834899
where:
bonds (distance) C4'-P energy: -115.267
bonds (distance) P-C4' energy: -133.437
flat angles C4'-P-C4' energy: -158.178
flat angles P-C4'-P energy: -95.541
tors. eta vs tors. theta energy: -224.412
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: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2322.386249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.386249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.386249 (E_RNA)
where:
Base-Base interactions energy: -1663.192
where: short stacking energy: -638.116
Base-Backbone interact. energy: -0.298
local terms energy: -658.896418
where:
bonds (distance) C4'-P energy: -123.524
bonds (distance) P-C4' energy: -116.307
flat angles C4'-P-C4' energy: -135.103
flat angles P-C4'-P energy: -93.487
tors. eta vs tors. theta energy: -190.476
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2298.440793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.440793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.440793 (E_RNA)
where:
Base-Base interactions energy: -1623.001
where: short stacking energy: -621.857
Base-Backbone interact. energy: 0.522
local terms energy: -675.962001
where:
bonds (distance) C4'-P energy: -102.373
bonds (distance) P-C4' energy: -136.073
flat angles C4'-P-C4' energy: -140.934
flat angles P-C4'-P energy: -95.536
tors. eta vs tors. theta energy: -201.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2141.840786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.840786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.840786 (E_RNA)
where:
Base-Base interactions energy: -1515.431
where: short stacking energy: -575.833
Base-Backbone interact. energy: -0.624
local terms energy: -625.785115
where:
bonds (distance) C4'-P energy: -110.620
bonds (distance) P-C4' energy: -115.466
flat angles C4'-P-C4' energy: -131.202
flat angles P-C4'-P energy: -96.357
tors. eta vs tors. theta energy: -172.141
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: 433
Temperature: 1.100000
Total energy: -2095.046523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.046523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.046523 (E_RNA)
where:
Base-Base interactions energy: -1471.821
where: short stacking energy: -591.416
Base-Backbone interact. energy: -1.662
local terms energy: -621.563959
where:
bonds (distance) C4'-P energy: -103.483
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -139.513
flat angles P-C4'-P energy: -89.081
tors. eta vs tors. theta energy: -176.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1910.926525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.926525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.926525 (E_RNA)
where:
Base-Base interactions energy: -1355.646
where: short stacking energy: -559.565
Base-Backbone interact. energy: 2.912
local terms energy: -558.191830
where:
bonds (distance) C4'-P energy: -100.238
bonds (distance) P-C4' energy: -108.692
flat angles C4'-P-C4' energy: -118.051
flat angles P-C4'-P energy: -80.294
tors. eta vs tors. theta energy: -150.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1679.479909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.479909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.479909 (E_RNA)
where:
Base-Base interactions energy: -1163.828
where: short stacking energy: -474.331
Base-Backbone interact. energy: 0.405
local terms energy: -516.057111
where:
bonds (distance) C4'-P energy: -94.676
bonds (distance) P-C4' energy: -109.594
flat angles C4'-P-C4' energy: -107.537
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -124.997
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: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1240.128357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.128357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.128357 (E_RNA)
where:
Base-Base interactions energy: -768.364
where: short stacking energy: -320.467
Base-Backbone interact. energy: 0.717
local terms energy: -472.481476
where:
bonds (distance) C4'-P energy: -97.243
bonds (distance) P-C4' energy: -109.448
flat angles C4'-P-C4' energy: -109.279
flat angles P-C4'-P energy: -89.488
tors. eta vs tors. theta energy: -67.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -996.098822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.098822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.098822 (E_RNA)
where:
Base-Base interactions energy: -602.962
where: short stacking energy: -281.006
Base-Backbone interact. energy: 2.560
local terms energy: -395.696458
where:
bonds (distance) C4'-P energy: -105.003
bonds (distance) P-C4' energy: -112.479
flat angles C4'-P-C4' energy: -94.267
flat angles P-C4'-P energy: -51.673
tors. eta vs tors. theta energy: -32.274
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -448.115910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.115910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.115910 (E_RNA)
where:
Base-Base interactions energy: -129.552
where: short stacking energy: -105.295
Base-Backbone interact. energy: -3.507
local terms energy: -315.057222
where:
bonds (distance) C4'-P energy: -97.075
bonds (distance) P-C4' energy: -112.683
flat angles C4'-P-C4' energy: -89.036
flat angles P-C4'-P energy: -50.844
tors. eta vs tors. theta energy: 34.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2520.949251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.949251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.949251 (E_RNA)
where:
Base-Base interactions energy: -1789.192
where: short stacking energy: -709.171
Base-Backbone interact. energy: -0.755
local terms energy: -731.002907
where:
bonds (distance) C4'-P energy: -116.798
bonds (distance) P-C4' energy: -136.383
flat angles C4'-P-C4' energy: -154.184
flat angles P-C4'-P energy: -96.589
tors. eta vs tors. theta energy: -227.049
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: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2359.095475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.095475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.095475 (E_RNA)
where:
Base-Base interactions energy: -1684.285
where: short stacking energy: -680.794
Base-Backbone interact. energy: 1.306
local terms energy: -676.116320
where:
bonds (distance) C4'-P energy: -123.629
bonds (distance) P-C4' energy: -111.797
flat angles C4'-P-C4' energy: -131.823
flat angles P-C4'-P energy: -101.570
tors. eta vs tors. theta energy: -207.297
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: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2287.822663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.822663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.822663 (E_RNA)
where:
Base-Base interactions energy: -1612.958
where: short stacking energy: -600.369
Base-Backbone interact. energy: -1.615
local terms energy: -673.249623
where:
bonds (distance) C4'-P energy: -125.444
bonds (distance) P-C4' energy: -116.697
flat angles C4'-P-C4' energy: -138.261
flat angles P-C4'-P energy: -96.468
tors. eta vs tors. theta energy: -196.380
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: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2167.293739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.293739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.293739 (E_RNA)
where:
Base-Base interactions energy: -1556.978
where: short stacking energy: -625.066
Base-Backbone interact. energy: 3.099
local terms energy: -613.414744
where:
bonds (distance) C4'-P energy: -91.433
bonds (distance) P-C4' energy: -102.429
flat angles C4'-P-C4' energy: -131.564
flat angles P-C4'-P energy: -93.574
tors. eta vs tors. theta energy: -194.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2085.023258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.023258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.023258 (E_RNA)
where:
Base-Base interactions energy: -1481.434
where: short stacking energy: -575.206
Base-Backbone interact. energy: 1.949
local terms energy: -605.538599
where:
bonds (distance) C4'-P energy: -112.469
bonds (distance) P-C4' energy: -115.696
flat angles C4'-P-C4' energy: -126.297
flat angles P-C4'-P energy: -89.694
tors. eta vs tors. theta energy: -161.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1893.681753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.681753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.681753 (E_RNA)
where:
Base-Base interactions energy: -1324.225
where: short stacking energy: -508.089
Base-Backbone interact. energy: -2.822
local terms energy: -566.634345
where:
bonds (distance) C4'-P energy: -101.784
bonds (distance) P-C4' energy: -103.030
flat angles C4'-P-C4' energy: -125.602
flat angles P-C4'-P energy: -76.311
tors. eta vs tors. theta energy: -159.907
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: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1678.023079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.023079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.023079 (E_RNA)
where:
Base-Base interactions energy: -1158.694
where: short stacking energy: -486.912
Base-Backbone interact. energy: -1.073
local terms energy: -518.256479
where:
bonds (distance) C4'-P energy: -102.267
bonds (distance) P-C4' energy: -82.442
flat angles C4'-P-C4' energy: -126.931
flat angles P-C4'-P energy: -72.053
tors. eta vs tors. theta energy: -134.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1203.348754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.348754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.348754 (E_RNA)
where:
Base-Base interactions energy: -735.743
where: short stacking energy: -309.295
Base-Backbone interact. energy: -2.154
local terms energy: -465.451870
where:
bonds (distance) C4'-P energy: -114.156
bonds (distance) P-C4' energy: -112.995
flat angles C4'-P-C4' energy: -103.603
flat angles P-C4'-P energy: -57.331
tors. eta vs tors. theta energy: -77.367
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: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -998.882726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.882726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.882726 (E_RNA)
where:
Base-Base interactions energy: -611.547
where: short stacking energy: -281.740
Base-Backbone interact. energy: -0.559
local terms energy: -386.776140
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -113.281
flat angles C4'-P-C4' energy: -88.281
flat angles P-C4'-P energy: -63.691
tors. eta vs tors. theta energy: -28.396
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: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -439.909017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.909017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.909017 (E_RNA)
where:
Base-Base interactions energy: -154.597
where: short stacking energy: -117.145
Base-Backbone interact. energy: 1.703
local terms energy: -287.015747
where:
bonds (distance) C4'-P energy: -95.549
bonds (distance) P-C4' energy: -103.584
flat angles C4'-P-C4' energy: -67.394
flat angles P-C4'-P energy: -54.153
tors. eta vs tors. theta energy: 33.664
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: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2497.881097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.881097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.881097 (E_RNA)
where:
Base-Base interactions energy: -1769.068
where: short stacking energy: -717.002
Base-Backbone interact. energy: 1.279
local terms energy: -730.092333
where:
bonds (distance) C4'-P energy: -127.378
bonds (distance) P-C4' energy: -120.684
flat angles C4'-P-C4' energy: -152.778
flat angles P-C4'-P energy: -102.946
tors. eta vs tors. theta energy: -226.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2354.819884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.819884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.819884 (E_RNA)
where:
Base-Base interactions energy: -1655.863
where: short stacking energy: -666.115
Base-Backbone interact. energy: -1.491
local terms energy: -697.465893
where:
bonds (distance) C4'-P energy: -120.734
bonds (distance) P-C4' energy: -123.598
flat angles C4'-P-C4' energy: -146.245
flat angles P-C4'-P energy: -92.508
tors. eta vs tors. theta energy: -214.381
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: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2279.823302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.823302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.823302 (E_RNA)
where:
Base-Base interactions energy: -1629.133
where: short stacking energy: -641.904
Base-Backbone interact. energy: -4.807
local terms energy: -645.882964
where:
bonds (distance) C4'-P energy: -107.080
bonds (distance) P-C4' energy: -105.249
flat angles C4'-P-C4' energy: -140.177
flat angles P-C4'-P energy: -87.533
tors. eta vs tors. theta energy: -205.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2180.197987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.197987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.197987 (E_RNA)
where:
Base-Base interactions energy: -1520.527
where: short stacking energy: -612.226
Base-Backbone interact. energy: 3.841
local terms energy: -663.511776
where:
bonds (distance) C4'-P energy: -114.883
bonds (distance) P-C4' energy: -112.502
flat angles C4'-P-C4' energy: -153.939
flat angles P-C4'-P energy: -90.258
tors. eta vs tors. theta energy: -191.930
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: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2065.092507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.092507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.092507 (E_RNA)
where:
Base-Base interactions energy: -1444.395
where: short stacking energy: -566.095
Base-Backbone interact. energy: 0.175
local terms energy: -620.872681
where:
bonds (distance) C4'-P energy: -105.282
bonds (distance) P-C4' energy: -115.152
flat angles C4'-P-C4' energy: -143.927
flat angles P-C4'-P energy: -88.145
tors. eta vs tors. theta energy: -168.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1892.772370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.772370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.772370 (E_RNA)
where:
Base-Base interactions energy: -1296.744
where: short stacking energy: -514.326
Base-Backbone interact. energy: -0.847
local terms energy: -595.181151
where:
bonds (distance) C4'-P energy: -119.818
bonds (distance) P-C4' energy: -115.509
flat angles C4'-P-C4' energy: -131.750
flat angles P-C4'-P energy: -89.855
tors. eta vs tors. theta energy: -138.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1679.372747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.372747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.372747 (E_RNA)
where:
Base-Base interactions energy: -1139.406
where: short stacking energy: -462.169
Base-Backbone interact. energy: 0.573
local terms energy: -540.539285
where:
bonds (distance) C4'-P energy: -111.957
bonds (distance) P-C4' energy: -95.023
flat angles C4'-P-C4' energy: -124.616
flat angles P-C4'-P energy: -83.605
tors. eta vs tors. theta energy: -125.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1220.141814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.141814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.141814 (E_RNA)
where:
Base-Base interactions energy: -754.108
where: short stacking energy: -341.460
Base-Backbone interact. energy: 0.818
local terms energy: -466.851996
where:
bonds (distance) C4'-P energy: -115.338
bonds (distance) P-C4' energy: -101.225
flat angles C4'-P-C4' energy: -111.177
flat angles P-C4'-P energy: -65.513
tors. eta vs tors. theta energy: -73.598
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: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -951.597153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.597153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.597153 (E_RNA)
where:
Base-Base interactions energy: -543.135
where: short stacking energy: -243.411
Base-Backbone interact. energy: -0.674
local terms energy: -407.787920
where:
bonds (distance) C4'-P energy: -111.566
bonds (distance) P-C4' energy: -98.609
flat angles C4'-P-C4' energy: -113.524
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -34.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -469.904383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.904383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.904383 (E_RNA)
where:
Base-Base interactions energy: -146.316
where: short stacking energy: -129.148
Base-Backbone interact. energy: 3.082
local terms energy: -326.670600
where:
bonds (distance) C4'-P energy: -90.703
bonds (distance) P-C4' energy: -105.246
flat angles C4'-P-C4' energy: -87.647
flat angles P-C4'-P energy: -55.776
tors. eta vs tors. theta energy: 12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2522.233821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.233821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.233821 (E_RNA)
where:
Base-Base interactions energy: -1820.252
where: short stacking energy: -719.495
Base-Backbone interact. energy: -1.072
local terms energy: -700.910154
where:
bonds (distance) C4'-P energy: -116.804
bonds (distance) P-C4' energy: -102.491
flat angles C4'-P-C4' energy: -136.749
flat angles P-C4'-P energy: -115.243
tors. eta vs tors. theta energy: -229.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2367.650309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.650309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.650309 (E_RNA)
where:
Base-Base interactions energy: -1684.893
where: short stacking energy: -663.890
Base-Backbone interact. energy: 1.908
local terms energy: -684.665846
where:
bonds (distance) C4'-P energy: -126.946
bonds (distance) P-C4' energy: -116.240
flat angles C4'-P-C4' energy: -143.848
flat angles P-C4'-P energy: -99.853
tors. eta vs tors. theta energy: -197.778
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: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2285.814141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.814141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.814141 (E_RNA)
where:
Base-Base interactions energy: -1610.121
where: short stacking energy: -640.029
Base-Backbone interact. energy: -4.062
local terms energy: -671.631150
where:
bonds (distance) C4'-P energy: -116.546
bonds (distance) P-C4' energy: -121.929
flat angles C4'-P-C4' energy: -126.903
flat angles P-C4'-P energy: -99.572
tors. eta vs tors. theta energy: -206.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2152.722868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.722868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.722868 (E_RNA)
where:
Base-Base interactions energy: -1527.056
where: short stacking energy: -612.071
Base-Backbone interact. energy: -0.370
local terms energy: -625.297055
where:
bonds (distance) C4'-P energy: -116.297
bonds (distance) P-C4' energy: -106.434
flat angles C4'-P-C4' energy: -122.378
flat angles P-C4'-P energy: -82.240
tors. eta vs tors. theta energy: -197.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2043.574854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.574854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.574854 (E_RNA)
where:
Base-Base interactions energy: -1448.374
where: short stacking energy: -577.883
Base-Backbone interact. energy: -0.352
local terms energy: -594.849116
where:
bonds (distance) C4'-P energy: -110.216
bonds (distance) P-C4' energy: -106.541
flat angles C4'-P-C4' energy: -123.517
flat angles P-C4'-P energy: -81.394
tors. eta vs tors. theta energy: -173.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1883.211541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.211541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.211541 (E_RNA)
where:
Base-Base interactions energy: -1302.923
where: short stacking energy: -528.677
Base-Backbone interact. energy: 1.044
local terms energy: -581.332129
where:
bonds (distance) C4'-P energy: -108.313
bonds (distance) P-C4' energy: -105.770
flat angles C4'-P-C4' energy: -121.299
flat angles P-C4'-P energy: -82.779
tors. eta vs tors. theta energy: -163.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1678.984500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.984500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.984500 (E_RNA)
where:
Base-Base interactions energy: -1134.446
where: short stacking energy: -448.004
Base-Backbone interact. energy: 4.785
local terms energy: -549.323603
where:
bonds (distance) C4'-P energy: -94.541
bonds (distance) P-C4' energy: -118.068
flat angles C4'-P-C4' energy: -115.459
flat angles P-C4'-P energy: -80.119
tors. eta vs tors. theta energy: -141.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1249.383645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.383645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.383645 (E_RNA)
where:
Base-Base interactions energy: -790.008
where: short stacking energy: -347.986
Base-Backbone interact. energy: -0.189
local terms energy: -459.187113
where:
bonds (distance) C4'-P energy: -85.308
bonds (distance) P-C4' energy: -111.789
flat angles C4'-P-C4' energy: -101.203
flat angles P-C4'-P energy: -71.619
tors. eta vs tors. theta energy: -89.268
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: 436
Temperature: 1.300000
Total energy: -941.338957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.338957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.338957 (E_RNA)
where:
Base-Base interactions energy: -547.307
where: short stacking energy: -254.451
Base-Backbone interact. energy: -2.672
local terms energy: -391.360248
where:
bonds (distance) C4'-P energy: -113.081
bonds (distance) P-C4' energy: -105.398
flat angles C4'-P-C4' energy: -72.787
flat angles P-C4'-P energy: -65.996
tors. eta vs tors. theta energy: -34.098
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: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -471.413422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.413422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.413422 (E_RNA)
where:
Base-Base interactions energy: -125.993
where: short stacking energy: -104.349
Base-Backbone interact. energy: 1.489
local terms energy: -346.909036
where:
bonds (distance) C4'-P energy: -104.080
bonds (distance) P-C4' energy: -107.967
flat angles C4'-P-C4' energy: -92.171
flat angles P-C4'-P energy: -54.259
tors. eta vs tors. theta energy: 11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2533.612068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.612068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.612068 (E_RNA)
where:
Base-Base interactions energy: -1804.075
where: short stacking energy: -714.576
Base-Backbone interact. energy: -1.550
local terms energy: -727.986696
where:
bonds (distance) C4'-P energy: -129.325
bonds (distance) P-C4' energy: -117.216
flat angles C4'-P-C4' energy: -152.535
flat angles P-C4'-P energy: -103.908
tors. eta vs tors. theta energy: -225.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2398.891284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.891284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.891284 (E_RNA)
where:
Base-Base interactions energy: -1685.072
where: short stacking energy: -659.289
Base-Backbone interact. energy: -2.066
local terms energy: -711.753080
where:
bonds (distance) C4'-P energy: -132.878
bonds (distance) P-C4' energy: -117.942
flat angles C4'-P-C4' energy: -149.374
flat angles P-C4'-P energy: -102.728
tors. eta vs tors. theta energy: -208.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2311.780799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.780799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.780799 (E_RNA)
where:
Base-Base interactions energy: -1628.895
where: short stacking energy: -636.795
Base-Backbone interact. energy: -5.254
local terms energy: -677.631367
where:
bonds (distance) C4'-P energy: -131.279
bonds (distance) P-C4' energy: -112.983
flat angles C4'-P-C4' energy: -138.152
flat angles P-C4'-P energy: -92.877
tors. eta vs tors. theta energy: -202.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2144.794687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.794687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.794687 (E_RNA)
where:
Base-Base interactions energy: -1493.649
where: short stacking energy: -589.235
Base-Backbone interact. energy: -2.931
local terms energy: -648.213941
where:
bonds (distance) C4'-P energy: -120.314
bonds (distance) P-C4' energy: -119.535
flat angles C4'-P-C4' energy: -129.068
flat angles P-C4'-P energy: -97.787
tors. eta vs tors. theta energy: -181.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2054.695588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.695588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.695588 (E_RNA)
where:
Base-Base interactions energy: -1457.781
where: short stacking energy: -571.496
Base-Backbone interact. energy: 2.714
local terms energy: -599.628902
where:
bonds (distance) C4'-P energy: -113.705
bonds (distance) P-C4' energy: -111.737
flat angles C4'-P-C4' energy: -139.687
flat angles P-C4'-P energy: -64.563
tors. eta vs tors. theta energy: -169.936
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: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1877.159129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.159129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.159129 (E_RNA)
where:
Base-Base interactions energy: -1310.372
where: short stacking energy: -513.668
Base-Backbone interact. energy: 1.514
local terms energy: -568.300232
where:
bonds (distance) C4'-P energy: -90.496
bonds (distance) P-C4' energy: -110.660
flat angles C4'-P-C4' energy: -134.670
flat angles P-C4'-P energy: -85.431
tors. eta vs tors. theta energy: -147.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1709.032967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.032967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.032967 (E_RNA)
where:
Base-Base interactions energy: -1143.374
where: short stacking energy: -481.541
Base-Backbone interact. energy: -1.714
local terms energy: -563.945784
where:
bonds (distance) C4'-P energy: -113.137
bonds (distance) P-C4' energy: -107.744
flat angles C4'-P-C4' energy: -135.076
flat angles P-C4'-P energy: -83.811
tors. eta vs tors. theta energy: -124.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1334.625712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.625712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.625712 (E_RNA)
where:
Base-Base interactions energy: -875.397
where: short stacking energy: -385.423
Base-Backbone interact. energy: 1.826
local terms energy: -461.054445
where:
bonds (distance) C4'-P energy: -91.568
bonds (distance) P-C4' energy: -116.724
flat angles C4'-P-C4' energy: -98.149
flat angles P-C4'-P energy: -70.022
tors. eta vs tors. theta energy: -84.592
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: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -981.626684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.626684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.626684 (E_RNA)
where:
Base-Base interactions energy: -545.113
where: short stacking energy: -276.165
Base-Backbone interact. energy: 0.812
local terms energy: -437.325560
where:
bonds (distance) C4'-P energy: -92.069
bonds (distance) P-C4' energy: -124.613
flat angles C4'-P-C4' energy: -100.413
flat angles P-C4'-P energy: -58.238
tors. eta vs tors. theta energy: -61.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -481.856725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.856725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.856725 (E_RNA)
where:
Base-Base interactions energy: -150.241
where: short stacking energy: -123.904
Base-Backbone interact. energy: 2.008
local terms energy: -333.623694
where:
bonds (distance) C4'-P energy: -90.909
bonds (distance) P-C4' energy: -115.479
flat angles C4'-P-C4' energy: -88.832
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: 10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2505.672488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.672488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.672488 (E_RNA)
where:
Base-Base interactions energy: -1772.765
where: short stacking energy: -683.905
Base-Backbone interact. energy: -1.887
local terms energy: -731.020957
where:
bonds (distance) C4'-P energy: -117.099
bonds (distance) P-C4' energy: -128.444
flat angles C4'-P-C4' energy: -147.920
flat angles P-C4'-P energy: -113.368
tors. eta vs tors. theta energy: -224.190
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: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2412.483561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.483561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.483561 (E_RNA)
where:
Base-Base interactions energy: -1694.440
where: short stacking energy: -670.166
Base-Backbone interact. energy: -2.252
local terms energy: -715.792044
where:
bonds (distance) C4'-P energy: -108.668
bonds (distance) P-C4' energy: -136.659
flat angles C4'-P-C4' energy: -151.579
flat angles P-C4'-P energy: -110.258
tors. eta vs tors. theta energy: -208.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2303.859583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.859583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.859583 (E_RNA)
where:
Base-Base interactions energy: -1629.198
where: short stacking energy: -644.901
Base-Backbone interact. energy: 2.030
local terms energy: -676.692261
where:
bonds (distance) C4'-P energy: -119.426
bonds (distance) P-C4' energy: -128.062
flat angles C4'-P-C4' energy: -141.900
flat angles P-C4'-P energy: -88.097
tors. eta vs tors. theta energy: -199.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2147.833783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.833783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.833783 (E_RNA)
where:
Base-Base interactions energy: -1486.534
where: short stacking energy: -582.393
Base-Backbone interact. energy: -2.859
local terms energy: -658.441350
where:
bonds (distance) C4'-P energy: -124.042
bonds (distance) P-C4' energy: -122.543
flat angles C4'-P-C4' energy: -131.775
flat angles P-C4'-P energy: -96.817
tors. eta vs tors. theta energy: -183.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2047.899525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.899525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.899525 (E_RNA)
where:
Base-Base interactions energy: -1414.054
where: short stacking energy: -539.721
Base-Backbone interact. energy: -1.926
local terms energy: -631.919648
where:
bonds (distance) C4'-P energy: -111.324
bonds (distance) P-C4' energy: -130.933
flat angles C4'-P-C4' energy: -138.716
flat angles P-C4'-P energy: -93.371
tors. eta vs tors. theta energy: -157.576
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: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1924.338732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.338732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.338732 (E_RNA)
where:
Base-Base interactions energy: -1342.598
where: short stacking energy: -526.763
Base-Backbone interact. energy: -2.108
local terms energy: -579.632558
where:
bonds (distance) C4'-P energy: -105.466
bonds (distance) P-C4' energy: -115.456
flat angles C4'-P-C4' energy: -120.970
flat angles P-C4'-P energy: -80.472
tors. eta vs tors. theta energy: -157.269
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: 438
Temperature: 1.200000
Total energy: -1716.775373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.775373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.775373 (E_RNA)
where:
Base-Base interactions energy: -1151.761
where: short stacking energy: -496.045
Base-Backbone interact. energy: -2.888
local terms energy: -562.125841
where:
bonds (distance) C4'-P energy: -109.516
bonds (distance) P-C4' energy: -95.190
flat angles C4'-P-C4' energy: -132.061
flat angles P-C4'-P energy: -83.027
tors. eta vs tors. theta energy: -142.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1366.955618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.955618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.955618 (E_RNA)
where:
Base-Base interactions energy: -882.496
where: short stacking energy: -393.750
Base-Backbone interact. energy: -0.403
local terms energy: -484.056939
where:
bonds (distance) C4'-P energy: -105.824
bonds (distance) P-C4' energy: -103.651
flat angles C4'-P-C4' energy: -109.370
flat angles P-C4'-P energy: -63.145
tors. eta vs tors. theta energy: -102.068
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: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -913.830596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.830596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.830596 (E_RNA)
where:
Base-Base interactions energy: -555.344
where: short stacking energy: -258.873
Base-Backbone interact. energy: -1.316
local terms energy: -357.171329
where:
bonds (distance) C4'-P energy: -86.524
bonds (distance) P-C4' energy: -105.259
flat angles C4'-P-C4' energy: -87.294
flat angles P-C4'-P energy: -48.733
tors. eta vs tors. theta energy: -29.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -460.958567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.958567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.958567 (E_RNA)
where:
Base-Base interactions energy: -145.773
where: short stacking energy: -124.670
Base-Backbone interact. energy: -1.678
local terms energy: -313.508181
where:
bonds (distance) C4'-P energy: -102.912
bonds (distance) P-C4' energy: -93.842
flat angles C4'-P-C4' energy: -86.447
flat angles P-C4'-P energy: -50.384
tors. eta vs tors. theta energy: 20.078
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: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2493.071993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.071993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.071993 (E_RNA)
where:
Base-Base interactions energy: -1761.021
where: short stacking energy: -693.554
Base-Backbone interact. energy: -1.260
local terms energy: -730.791477
where:
bonds (distance) C4'-P energy: -127.233
bonds (distance) P-C4' energy: -130.409
flat angles C4'-P-C4' energy: -147.454
flat angles P-C4'-P energy: -110.223
tors. eta vs tors. theta energy: -215.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2390.579220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.579220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.579220 (E_RNA)
where:
Base-Base interactions energy: -1699.746
where: short stacking energy: -667.110
Base-Backbone interact. energy: 0.825
local terms energy: -691.658365
where:
bonds (distance) C4'-P energy: -120.304
bonds (distance) P-C4' energy: -127.611
flat angles C4'-P-C4' energy: -142.463
flat angles P-C4'-P energy: -99.194
tors. eta vs tors. theta energy: -202.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2302.351658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.351658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.351658 (E_RNA)
where:
Base-Base interactions energy: -1628.739
where: short stacking energy: -633.511
Base-Backbone interact. energy: -3.557
local terms energy: -670.055214
where:
bonds (distance) C4'-P energy: -123.010
bonds (distance) P-C4' energy: -125.811
flat angles C4'-P-C4' energy: -131.545
flat angles P-C4'-P energy: -89.891
tors. eta vs tors. theta energy: -199.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2165.631745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.631745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.631745 (E_RNA)
where:
Base-Base interactions energy: -1515.125
where: short stacking energy: -634.252
Base-Backbone interact. energy: -1.351
local terms energy: -649.155978
where:
bonds (distance) C4'-P energy: -104.078
bonds (distance) P-C4' energy: -116.981
flat angles C4'-P-C4' energy: -140.191
flat angles P-C4'-P energy: -95.366
tors. eta vs tors. theta energy: -192.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2071.560024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.560024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.560024 (E_RNA)
where:
Base-Base interactions energy: -1465.006
where: short stacking energy: -562.685
Base-Backbone interact. energy: 1.448
local terms energy: -608.001370
where:
bonds (distance) C4'-P energy: -104.017
bonds (distance) P-C4' energy: -115.458
flat angles C4'-P-C4' energy: -123.430
flat angles P-C4'-P energy: -83.551
tors. eta vs tors. theta energy: -181.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1925.246266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.246266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.246266 (E_RNA)
where:
Base-Base interactions energy: -1332.656
where: short stacking energy: -508.507
Base-Backbone interact. energy: -1.789
local terms energy: -590.801684
where:
bonds (distance) C4'-P energy: -126.113
bonds (distance) P-C4' energy: -97.337
flat angles C4'-P-C4' energy: -130.103
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -151.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1658.006799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.006799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.006799 (E_RNA)
where:
Base-Base interactions energy: -1142.596
where: short stacking energy: -475.966
Base-Backbone interact. energy: -1.113
local terms energy: -514.297834
where:
bonds (distance) C4'-P energy: -97.555
bonds (distance) P-C4' energy: -113.088
flat angles C4'-P-C4' energy: -105.995
flat angles P-C4'-P energy: -62.832
tors. eta vs tors. theta energy: -134.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1268.403100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.403100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.403100 (E_RNA)
where:
Base-Base interactions energy: -812.536
where: short stacking energy: -340.701
Base-Backbone interact. energy: -1.225
local terms energy: -454.641980
where:
bonds (distance) C4'-P energy: -105.460
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -99.960
flat angles P-C4'-P energy: -59.379
tors. eta vs tors. theta energy: -81.129
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: 439
Temperature: 1.300000
Total energy: -971.597780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.597780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.597780 (E_RNA)
where:
Base-Base interactions energy: -564.080
where: short stacking energy: -266.081
Base-Backbone interact. energy: -3.474
local terms energy: -404.043889
where:
bonds (distance) C4'-P energy: -99.327
bonds (distance) P-C4' energy: -102.422
flat angles C4'-P-C4' energy: -93.868
flat angles P-C4'-P energy: -58.915
tors. eta vs tors. theta energy: -49.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -473.017924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.017924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.017924 (E_RNA)
where:
Base-Base interactions energy: -154.827
where: short stacking energy: -132.697
Base-Backbone interact. energy: 2.326
local terms energy: -320.516964
where:
bonds (distance) C4'-P energy: -107.219
bonds (distance) P-C4' energy: -92.193
flat angles C4'-P-C4' energy: -82.617
flat angles P-C4'-P energy: -53.233
tors. eta vs tors. theta energy: 14.746
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: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2498.665788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.665788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.665788 (E_RNA)
where:
Base-Base interactions energy: -1771.879
where: short stacking energy: -694.890
Base-Backbone interact. energy: 1.564
local terms energy: -728.349990
where:
bonds (distance) C4'-P energy: -133.914
bonds (distance) P-C4' energy: -128.643
flat angles C4'-P-C4' energy: -140.352
flat angles P-C4'-P energy: -104.121
tors. eta vs tors. theta energy: -221.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2395.688101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.688101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.688101 (E_RNA)
where:
Base-Base interactions energy: -1706.794
where: short stacking energy: -673.595
Base-Backbone interact. energy: -1.405
local terms energy: -687.488760
where:
bonds (distance) C4'-P energy: -111.547
bonds (distance) P-C4' energy: -119.774
flat angles C4'-P-C4' energy: -149.214
flat angles P-C4'-P energy: -97.693
tors. eta vs tors. theta energy: -209.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2298.431644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.431644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.431644 (E_RNA)
where:
Base-Base interactions energy: -1628.347
where: short stacking energy: -649.293
Base-Backbone interact. energy: -4.058
local terms energy: -666.026790
where:
bonds (distance) C4'-P energy: -111.967
bonds (distance) P-C4' energy: -117.850
flat angles C4'-P-C4' energy: -136.707
flat angles P-C4'-P energy: -96.994
tors. eta vs tors. theta energy: -202.509
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: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2144.435931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.435931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.435931 (E_RNA)
where:
Base-Base interactions energy: -1508.854
where: short stacking energy: -596.097
Base-Backbone interact. energy: -1.311
local terms energy: -634.271128
where:
bonds (distance) C4'-P energy: -112.652
bonds (distance) P-C4' energy: -113.588
flat angles C4'-P-C4' energy: -143.809
flat angles P-C4'-P energy: -80.241
tors. eta vs tors. theta energy: -183.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2110.894851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.894851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.894851 (E_RNA)
where:
Base-Base interactions energy: -1499.156
where: short stacking energy: -582.005
Base-Backbone interact. energy: 3.292
local terms energy: -615.031097
where:
bonds (distance) C4'-P energy: -106.690
bonds (distance) P-C4' energy: -109.177
flat angles C4'-P-C4' energy: -139.996
flat angles P-C4'-P energy: -83.811
tors. eta vs tors. theta energy: -175.357
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: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1926.965548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.965548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.965548 (E_RNA)
where:
Base-Base interactions energy: -1354.638
where: short stacking energy: -543.066
Base-Backbone interact. energy: -3.455
local terms energy: -568.873193
where:
bonds (distance) C4'-P energy: -88.703
bonds (distance) P-C4' energy: -123.478
flat angles C4'-P-C4' energy: -116.495
flat angles P-C4'-P energy: -80.422
tors. eta vs tors. theta energy: -159.775
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: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1663.331826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.331826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.331826 (E_RNA)
where:
Base-Base interactions energy: -1119.655
where: short stacking energy: -471.336
Base-Backbone interact. energy: 0.495
local terms energy: -544.172743
where:
bonds (distance) C4'-P energy: -108.033
bonds (distance) P-C4' energy: -106.338
flat angles C4'-P-C4' energy: -124.193
flat angles P-C4'-P energy: -64.126
tors. eta vs tors. theta energy: -141.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1337.542768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.542768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.542768 (E_RNA)
where:
Base-Base interactions energy: -842.266
where: short stacking energy: -367.299
Base-Backbone interact. energy: 0.898
local terms energy: -496.175337
where:
bonds (distance) C4'-P energy: -103.712
bonds (distance) P-C4' energy: -115.881
flat angles C4'-P-C4' energy: -109.481
flat angles P-C4'-P energy: -75.760
tors. eta vs tors. theta energy: -91.343
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: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -964.393958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.393958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.393958 (E_RNA)
where:
Base-Base interactions energy: -542.940
where: short stacking energy: -265.793
Base-Backbone interact. energy: 0.684
local terms energy: -422.138243
where:
bonds (distance) C4'-P energy: -99.650
bonds (distance) P-C4' energy: -116.953
flat angles C4'-P-C4' energy: -114.462
flat angles P-C4'-P energy: -50.135
tors. eta vs tors. theta energy: -40.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -456.027834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.027834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.027834 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -109.656
Base-Backbone interact. energy: -0.229
local terms energy: -329.943578
where:
bonds (distance) C4'-P energy: -108.039
bonds (distance) P-C4' energy: -121.371
flat angles C4'-P-C4' energy: -87.540
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: 26.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2488.927015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.927015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.927015 (E_RNA)
where:
Base-Base interactions energy: -1759.186
where: short stacking energy: -710.537
Base-Backbone interact. energy: -2.471
local terms energy: -727.270009
where:
bonds (distance) C4'-P energy: -124.803
bonds (distance) P-C4' energy: -124.072
flat angles C4'-P-C4' energy: -145.889
flat angles P-C4'-P energy: -108.604
tors. eta vs tors. theta energy: -223.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2434.892763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.892763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.892763 (E_RNA)
where:
Base-Base interactions energy: -1744.943
where: short stacking energy: -687.668
Base-Backbone interact. energy: -1.125
local terms energy: -688.824878
where:
bonds (distance) C4'-P energy: -110.799
bonds (distance) P-C4' energy: -110.274
flat angles C4'-P-C4' energy: -151.664
flat angles P-C4'-P energy: -109.523
tors. eta vs tors. theta energy: -206.564
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2292.680889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.680889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.680889 (E_RNA)
where:
Base-Base interactions energy: -1621.001
where: short stacking energy: -622.134
Base-Backbone interact. energy: 3.742
local terms energy: -675.422044
where:
bonds (distance) C4'-P energy: -117.800
bonds (distance) P-C4' energy: -118.043
flat angles C4'-P-C4' energy: -141.773
flat angles P-C4'-P energy: -103.756
tors. eta vs tors. theta energy: -194.050
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: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2185.986014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.986014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.986014 (E_RNA)
where:
Base-Base interactions energy: -1568.945
where: short stacking energy: -601.815
Base-Backbone interact. energy: 5.472
local terms energy: -622.512189
where:
bonds (distance) C4'-P energy: -103.457
bonds (distance) P-C4' energy: -112.191
flat angles C4'-P-C4' energy: -137.904
flat angles P-C4'-P energy: -91.948
tors. eta vs tors. theta energy: -177.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2065.651738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.651738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.651738 (E_RNA)
where:
Base-Base interactions energy: -1464.564
where: short stacking energy: -601.709
Base-Backbone interact. energy: -0.964
local terms energy: -600.123958
where:
bonds (distance) C4'-P energy: -99.612
bonds (distance) P-C4' energy: -110.628
flat angles C4'-P-C4' energy: -120.788
flat angles P-C4'-P energy: -87.647
tors. eta vs tors. theta energy: -181.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1940.975446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.975446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.975446 (E_RNA)
where:
Base-Base interactions energy: -1343.364
where: short stacking energy: -552.060
Base-Backbone interact. energy: -1.287
local terms energy: -596.324866
where:
bonds (distance) C4'-P energy: -102.016
bonds (distance) P-C4' energy: -115.191
flat angles C4'-P-C4' energy: -119.069
flat angles P-C4'-P energy: -77.069
tors. eta vs tors. theta energy: -182.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1630.399134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.399134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.399134 (E_RNA)
where:
Base-Base interactions energy: -1088.581
where: short stacking energy: -461.771
Base-Backbone interact. energy: -0.155
local terms energy: -541.662736
where:
bonds (distance) C4'-P energy: -111.279
bonds (distance) P-C4' energy: -95.028
flat angles C4'-P-C4' energy: -126.825
flat angles P-C4'-P energy: -71.125
tors. eta vs tors. theta energy: -137.406
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: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1311.888322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.888322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.888322 (E_RNA)
where:
Base-Base interactions energy: -868.920
where: short stacking energy: -377.336
Base-Backbone interact. energy: -0.709
local terms energy: -442.259059
where:
bonds (distance) C4'-P energy: -94.627
bonds (distance) P-C4' energy: -75.282
flat angles C4'-P-C4' energy: -114.161
flat angles P-C4'-P energy: -80.194
tors. eta vs tors. theta energy: -77.996
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: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -967.666978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.666978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.666978 (E_RNA)
where:
Base-Base interactions energy: -568.255
where: short stacking energy: -263.580
Base-Backbone interact. energy: -2.667
local terms energy: -396.744736
where:
bonds (distance) C4'-P energy: -102.868
bonds (distance) P-C4' energy: -108.881
flat angles C4'-P-C4' energy: -89.339
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -38.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -449.018568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.018568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.018568 (E_RNA)
where:
Base-Base interactions energy: -137.192
where: short stacking energy: -117.327
Base-Backbone interact. energy: 6.068
local terms energy: -317.894694
where:
bonds (distance) C4'-P energy: -88.711
bonds (distance) P-C4' energy: -101.635
flat angles C4'-P-C4' energy: -93.051
flat angles P-C4'-P energy: -67.130
tors. eta vs tors. theta energy: 32.631
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: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2498.659352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.659352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.659352 (E_RNA)
where:
Base-Base interactions energy: -1793.383
where: short stacking energy: -721.917
Base-Backbone interact. energy: 3.563
local terms energy: -708.839533
where:
bonds (distance) C4'-P energy: -116.409
bonds (distance) P-C4' energy: -128.318
flat angles C4'-P-C4' energy: -141.435
flat angles P-C4'-P energy: -100.819
tors. eta vs tors. theta energy: -221.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2422.193362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.193362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.193362 (E_RNA)
where:
Base-Base interactions energy: -1702.391
where: short stacking energy: -676.870
Base-Backbone interact. energy: -0.151
local terms energy: -719.650618
where:
bonds (distance) C4'-P energy: -133.892
bonds (distance) P-C4' energy: -120.160
flat angles C4'-P-C4' energy: -140.972
flat angles P-C4'-P energy: -106.295
tors. eta vs tors. theta energy: -218.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2301.765524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.765524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.765524 (E_RNA)
where:
Base-Base interactions energy: -1645.479
where: short stacking energy: -636.551
Base-Backbone interact. energy: -2.160
local terms energy: -654.126690
where:
bonds (distance) C4'-P energy: -120.888
bonds (distance) P-C4' energy: -105.150
flat angles C4'-P-C4' energy: -141.100
flat angles P-C4'-P energy: -86.523
tors. eta vs tors. theta energy: -200.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2164.738824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.738824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.738824 (E_RNA)
where:
Base-Base interactions energy: -1536.788
where: short stacking energy: -600.886
Base-Backbone interact. energy: 2.241
local terms energy: -630.191698
where:
bonds (distance) C4'-P energy: -128.516
bonds (distance) P-C4' energy: -122.437
flat angles C4'-P-C4' energy: -132.313
flat angles P-C4'-P energy: -79.575
tors. eta vs tors. theta energy: -167.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2060.220170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.220170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.220170 (E_RNA)
where:
Base-Base interactions energy: -1462.352
where: short stacking energy: -587.866
Base-Backbone interact. energy: -0.013
local terms energy: -597.855424
where:
bonds (distance) C4'-P energy: -99.276
bonds (distance) P-C4' energy: -104.503
flat angles C4'-P-C4' energy: -142.717
flat angles P-C4'-P energy: -72.018
tors. eta vs tors. theta energy: -179.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1951.035930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.035930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.035930 (E_RNA)
where:
Base-Base interactions energy: -1378.115
where: short stacking energy: -532.915
Base-Backbone interact. energy: 0.399
local terms energy: -573.319558
where:
bonds (distance) C4'-P energy: -106.353
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -82.071
tors. eta vs tors. theta energy: -161.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1640.045460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.045460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.045460 (E_RNA)
where:
Base-Base interactions energy: -1090.119
where: short stacking energy: -459.532
Base-Backbone interact. energy: -1.199
local terms energy: -548.727456
where:
bonds (distance) C4'-P energy: -108.886
bonds (distance) P-C4' energy: -113.174
flat angles C4'-P-C4' energy: -123.475
flat angles P-C4'-P energy: -78.378
tors. eta vs tors. theta energy: -124.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1277.508201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.508201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.508201 (E_RNA)
where:
Base-Base interactions energy: -832.148
where: short stacking energy: -346.491
Base-Backbone interact. energy: -1.067
local terms energy: -444.293151
where:
bonds (distance) C4'-P energy: -102.788
bonds (distance) P-C4' energy: -98.482
flat angles C4'-P-C4' energy: -99.680
flat angles P-C4'-P energy: -64.462
tors. eta vs tors. theta energy: -78.881
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: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -937.466939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.466939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.466939 (E_RNA)
where:
Base-Base interactions energy: -542.784
where: short stacking energy: -258.080
Base-Backbone interact. energy: 0.826
local terms energy: -395.509109
where:
bonds (distance) C4'-P energy: -106.815
bonds (distance) P-C4' energy: -106.960
flat angles C4'-P-C4' energy: -81.196
flat angles P-C4'-P energy: -58.193
tors. eta vs tors. theta energy: -42.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -468.261788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.261788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.261788 (E_RNA)
where:
Base-Base interactions energy: -140.475
where: short stacking energy: -104.730
Base-Backbone interact. energy: -2.101
local terms energy: -325.685309
where:
bonds (distance) C4'-P energy: -76.963
bonds (distance) P-C4' energy: -113.171
flat angles C4'-P-C4' energy: -87.609
flat angles P-C4'-P energy: -44.480
tors. eta vs tors. theta energy: -3.461
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: 443
Temperature: 0.900000
Total energy: -2500.731747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.731747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.731747 (E_RNA)
where:
Base-Base interactions energy: -1775.818
where: short stacking energy: -688.435
Base-Backbone interact. energy: 1.162
local terms energy: -726.075388
where:
bonds (distance) C4'-P energy: -131.437
bonds (distance) P-C4' energy: -122.734
flat angles C4'-P-C4' energy: -146.678
flat angles P-C4'-P energy: -98.112
tors. eta vs tors. theta energy: -227.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2416.612972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.612972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.612972 (E_RNA)
where:
Base-Base interactions energy: -1720.796
where: short stacking energy: -671.573
Base-Backbone interact. energy: -5.805
local terms energy: -690.012210
where:
bonds (distance) C4'-P energy: -125.091
bonds (distance) P-C4' energy: -124.396
flat angles C4'-P-C4' energy: -139.488
flat angles P-C4'-P energy: -89.839
tors. eta vs tors. theta energy: -211.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2314.848157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.848157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.848157 (E_RNA)
where:
Base-Base interactions energy: -1637.795
where: short stacking energy: -643.586
Base-Backbone interact. energy: 0.569
local terms energy: -677.622654
where:
bonds (distance) C4'-P energy: -101.317
bonds (distance) P-C4' energy: -134.523
flat angles C4'-P-C4' energy: -142.437
flat angles P-C4'-P energy: -94.281
tors. eta vs tors. theta energy: -205.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2171.312491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.312491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.312491 (E_RNA)
where:
Base-Base interactions energy: -1525.308
where: short stacking energy: -607.022
Base-Backbone interact. energy: -2.139
local terms energy: -643.866062
where:
bonds (distance) C4'-P energy: -110.327
bonds (distance) P-C4' energy: -111.498
flat angles C4'-P-C4' energy: -134.178
flat angles P-C4'-P energy: -95.802
tors. eta vs tors. theta energy: -192.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2066.632267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.632267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.632267 (E_RNA)
where:
Base-Base interactions energy: -1470.465
where: short stacking energy: -605.396
Base-Backbone interact. energy: 3.257
local terms energy: -599.424497
where:
bonds (distance) C4'-P energy: -91.546
bonds (distance) P-C4' energy: -102.497
flat angles C4'-P-C4' energy: -127.766
flat angles P-C4'-P energy: -93.060
tors. eta vs tors. theta energy: -184.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1968.148389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.148389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.148389 (E_RNA)
where:
Base-Base interactions energy: -1375.205
where: short stacking energy: -540.049
Base-Backbone interact. energy: -1.429
local terms energy: -591.515190
where:
bonds (distance) C4'-P energy: -117.597
bonds (distance) P-C4' energy: -114.379
flat angles C4'-P-C4' energy: -120.797
flat angles P-C4'-P energy: -73.547
tors. eta vs tors. theta energy: -165.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1611.857407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.857407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.857407 (E_RNA)
where:
Base-Base interactions energy: -1051.361
where: short stacking energy: -434.235
Base-Backbone interact. energy: -3.822
local terms energy: -556.674417
where:
bonds (distance) C4'-P energy: -112.165
bonds (distance) P-C4' energy: -116.722
flat angles C4'-P-C4' energy: -125.181
flat angles P-C4'-P energy: -83.919
tors. eta vs tors. theta energy: -118.688
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: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1251.092880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.092880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.092880 (E_RNA)
where:
Base-Base interactions energy: -772.474
where: short stacking energy: -336.366
Base-Backbone interact. energy: -2.244
local terms energy: -476.374601
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -109.089
flat angles C4'-P-C4' energy: -106.224
flat angles P-C4'-P energy: -72.283
tors. eta vs tors. theta energy: -84.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -943.468093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.468093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.468093 (E_RNA)
where:
Base-Base interactions energy: -538.762
where: short stacking energy: -252.633
Base-Backbone interact. energy: 2.322
local terms energy: -407.028209
where:
bonds (distance) C4'-P energy: -108.822
bonds (distance) P-C4' energy: -109.076
flat angles C4'-P-C4' energy: -104.925
flat angles P-C4'-P energy: -51.221
tors. eta vs tors. theta energy: -32.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -503.494732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.494732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.494732 (E_RNA)
where:
Base-Base interactions energy: -205.624
where: short stacking energy: -126.601
Base-Backbone interact. energy: -0.840
local terms energy: -297.029901
where:
bonds (distance) C4'-P energy: -114.138
bonds (distance) P-C4' energy: -110.986
flat angles C4'-P-C4' energy: -62.976
flat angles P-C4'-P energy: -40.495
tors. eta vs tors. theta energy: 31.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2524.135866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.135866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.135866 (E_RNA)
where:
Base-Base interactions energy: -1809.958
where: short stacking energy: -715.089
Base-Backbone interact. energy: -0.679
local terms energy: -713.498834
where:
bonds (distance) C4'-P energy: -120.846
bonds (distance) P-C4' energy: -114.302
flat angles C4'-P-C4' energy: -157.627
flat angles P-C4'-P energy: -94.776
tors. eta vs tors. theta energy: -225.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2421.205022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.205022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.205022 (E_RNA)
where:
Base-Base interactions energy: -1716.701
where: short stacking energy: -683.216
Base-Backbone interact. energy: -1.110
local terms energy: -703.393950
where:
bonds (distance) C4'-P energy: -120.126
bonds (distance) P-C4' energy: -122.406
flat angles C4'-P-C4' energy: -133.968
flat angles P-C4'-P energy: -111.323
tors. eta vs tors. theta energy: -215.571
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2281.774263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.774263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.774263 (E_RNA)
where:
Base-Base interactions energy: -1620.320
where: short stacking energy: -630.719
Base-Backbone interact. energy: -5.059
local terms energy: -656.395929
where:
bonds (distance) C4'-P energy: -125.686
bonds (distance) P-C4' energy: -106.143
flat angles C4'-P-C4' energy: -135.834
flat angles P-C4'-P energy: -88.565
tors. eta vs tors. theta energy: -200.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2161.533644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.533644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.533644 (E_RNA)
where:
Base-Base interactions energy: -1508.820
where: short stacking energy: -588.931
Base-Backbone interact. energy: -2.167
local terms energy: -650.546083
where:
bonds (distance) C4'-P energy: -112.928
bonds (distance) P-C4' energy: -126.956
flat angles C4'-P-C4' energy: -135.220
flat angles P-C4'-P energy: -86.071
tors. eta vs tors. theta energy: -189.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2095.247257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.247257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.247257 (E_RNA)
where:
Base-Base interactions energy: -1472.100
where: short stacking energy: -587.219
Base-Backbone interact. energy: -0.691
local terms energy: -622.456409
where:
bonds (distance) C4'-P energy: -115.436
bonds (distance) P-C4' energy: -109.646
flat angles C4'-P-C4' energy: -127.716
flat angles P-C4'-P energy: -87.018
tors. eta vs tors. theta energy: -182.640
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: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1998.225860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.225860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.225860 (E_RNA)
where:
Base-Base interactions energy: -1384.860
where: short stacking energy: -552.371
Base-Backbone interact. energy: -2.254
local terms energy: -611.112354
where:
bonds (distance) C4'-P energy: -115.219
bonds (distance) P-C4' energy: -126.233
flat angles C4'-P-C4' energy: -129.198
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -159.618
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: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1681.882246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.882246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.882246 (E_RNA)
where:
Base-Base interactions energy: -1162.203
where: short stacking energy: -484.282
Base-Backbone interact. energy: 12.240
local terms energy: -531.919336
where:
bonds (distance) C4'-P energy: -95.376
bonds (distance) P-C4' energy: -97.493
flat angles C4'-P-C4' energy: -117.245
flat angles P-C4'-P energy: -83.711
tors. eta vs tors. theta energy: -138.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1226.702970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.702970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.702970 (E_RNA)
where:
Base-Base interactions energy: -765.478
where: short stacking energy: -343.802
Base-Backbone interact. energy: 0.082
local terms energy: -461.307039
where:
bonds (distance) C4'-P energy: -112.422
bonds (distance) P-C4' energy: -124.948
flat angles C4'-P-C4' energy: -99.014
flat angles P-C4'-P energy: -58.484
tors. eta vs tors. theta energy: -66.439
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: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -911.316697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.316697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.316697 (E_RNA)
where:
Base-Base interactions energy: -529.186
where: short stacking energy: -243.442
Base-Backbone interact. energy: -1.857
local terms energy: -380.273646
where:
bonds (distance) C4'-P energy: -75.727
bonds (distance) P-C4' energy: -109.089
flat angles C4'-P-C4' energy: -106.176
flat angles P-C4'-P energy: -68.385
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -558.798036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.798036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.798036 (E_RNA)
where:
Base-Base interactions energy: -240.411
where: short stacking energy: -144.797
Base-Backbone interact. energy: -1.009
local terms energy: -317.378064
where:
bonds (distance) C4'-P energy: -93.527
bonds (distance) P-C4' energy: -92.598
flat angles C4'-P-C4' energy: -84.872
flat angles P-C4'-P energy: -58.284
tors. eta vs tors. theta energy: 11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2512.750550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.750550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.750550 (E_RNA)
where:
Base-Base interactions energy: -1791.264
where: short stacking energy: -712.641
Base-Backbone interact. energy: 2.358
local terms energy: -723.844082
where:
bonds (distance) C4'-P energy: -132.226
bonds (distance) P-C4' energy: -131.741
flat angles C4'-P-C4' energy: -134.335
flat angles P-C4'-P energy: -102.716
tors. eta vs tors. theta energy: -222.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2416.887603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.887603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.887603 (E_RNA)
where:
Base-Base interactions energy: -1715.556
where: short stacking energy: -689.966
Base-Backbone interact. energy: -3.525
local terms energy: -697.806898
where:
bonds (distance) C4'-P energy: -118.780
bonds (distance) P-C4' energy: -124.749
flat angles C4'-P-C4' energy: -140.232
flat angles P-C4'-P energy: -101.789
tors. eta vs tors. theta energy: -212.257
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: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2300.845494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.845494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.845494 (E_RNA)
where:
Base-Base interactions energy: -1644.154
where: short stacking energy: -627.782
Base-Backbone interact. energy: -3.275
local terms energy: -653.416409
where:
bonds (distance) C4'-P energy: -113.678
bonds (distance) P-C4' energy: -121.401
flat angles C4'-P-C4' energy: -138.901
flat angles P-C4'-P energy: -91.385
tors. eta vs tors. theta energy: -188.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2176.719700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.719700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.719700 (E_RNA)
where:
Base-Base interactions energy: -1520.240
where: short stacking energy: -607.358
Base-Backbone interact. energy: 1.821
local terms energy: -658.300832
where:
bonds (distance) C4'-P energy: -115.716
bonds (distance) P-C4' energy: -111.152
flat angles C4'-P-C4' energy: -138.925
flat angles P-C4'-P energy: -95.963
tors. eta vs tors. theta energy: -196.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2119.167120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.167120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.167120 (E_RNA)
where:
Base-Base interactions energy: -1500.083
where: short stacking energy: -597.778
Base-Backbone interact. energy: 0.167
local terms energy: -619.251309
where:
bonds (distance) C4'-P energy: -114.872
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -134.308
flat angles P-C4'-P energy: -80.209
tors. eta vs tors. theta energy: -189.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1979.115097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.115097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.115097 (E_RNA)
where:
Base-Base interactions energy: -1379.668
where: short stacking energy: -545.586
Base-Backbone interact. energy: 0.948
local terms energy: -600.394843
where:
bonds (distance) C4'-P energy: -116.647
bonds (distance) P-C4' energy: -105.212
flat angles C4'-P-C4' energy: -127.615
flat angles P-C4'-P energy: -79.242
tors. eta vs tors. theta energy: -171.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1689.028250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.028250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.028250 (E_RNA)
where:
Base-Base interactions energy: -1170.989
where: short stacking energy: -483.102
Base-Backbone interact. energy: -0.296
local terms energy: -517.743802
where:
bonds (distance) C4'-P energy: -98.116
bonds (distance) P-C4' energy: -106.448
flat angles C4'-P-C4' energy: -110.584
flat angles P-C4'-P energy: -73.262
tors. eta vs tors. theta energy: -129.334
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: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1274.586166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.586166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.586166 (E_RNA)
where:
Base-Base interactions energy: -799.910
where: short stacking energy: -349.376
Base-Backbone interact. energy: -2.053
local terms energy: -472.623542
where:
bonds (distance) C4'-P energy: -91.918
bonds (distance) P-C4' energy: -93.683
flat angles C4'-P-C4' energy: -127.472
flat angles P-C4'-P energy: -79.605
tors. eta vs tors. theta energy: -79.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -939.167420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.167420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.167420 (E_RNA)
where:
Base-Base interactions energy: -544.035
where: short stacking energy: -258.684
Base-Backbone interact. energy: 0.348
local terms energy: -395.480384
where:
bonds (distance) C4'-P energy: -93.890
bonds (distance) P-C4' energy: -111.816
flat angles C4'-P-C4' energy: -90.421
flat angles P-C4'-P energy: -66.424
tors. eta vs tors. theta energy: -32.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -488.940738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.940738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.940738 (E_RNA)
where:
Base-Base interactions energy: -200.320
where: short stacking energy: -132.928
Base-Backbone interact. energy: 8.021
local terms energy: -296.641371
where:
bonds (distance) C4'-P energy: -103.044
bonds (distance) P-C4' energy: -100.244
flat angles C4'-P-C4' energy: -64.945
flat angles P-C4'-P energy: -53.547
tors. eta vs tors. theta energy: 25.138
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: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2504.449365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.449365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.449365 (E_RNA)
where:
Base-Base interactions energy: -1791.971
where: short stacking energy: -722.031
Base-Backbone interact. energy: 0.441
local terms energy: -712.919399
where:
bonds (distance) C4'-P energy: -126.863
bonds (distance) P-C4' energy: -116.544
flat angles C4'-P-C4' energy: -142.835
flat angles P-C4'-P energy: -103.972
tors. eta vs tors. theta energy: -222.707
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: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2447.324984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.324984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.324984 (E_RNA)
where:
Base-Base interactions energy: -1738.802
where: short stacking energy: -677.046
Base-Backbone interact. energy: -2.312
local terms energy: -706.211161
where:
bonds (distance) C4'-P energy: -122.550
bonds (distance) P-C4' energy: -138.899
flat angles C4'-P-C4' energy: -136.736
flat angles P-C4'-P energy: -95.142
tors. eta vs tors. theta energy: -212.885
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: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2288.013612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.013612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.013612 (E_RNA)
where:
Base-Base interactions energy: -1628.627
where: short stacking energy: -641.065
Base-Backbone interact. energy: -5.251
local terms energy: -654.135908
where:
bonds (distance) C4'-P energy: -116.714
bonds (distance) P-C4' energy: -106.055
flat angles C4'-P-C4' energy: -141.293
flat angles P-C4'-P energy: -93.677
tors. eta vs tors. theta energy: -196.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2158.145090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.145090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.145090 (E_RNA)
where:
Base-Base interactions energy: -1522.535
where: short stacking energy: -602.739
Base-Backbone interact. energy: -1.032
local terms energy: -634.577819
where:
bonds (distance) C4'-P energy: -120.165
bonds (distance) P-C4' energy: -114.534
flat angles C4'-P-C4' energy: -141.195
flat angles P-C4'-P energy: -85.725
tors. eta vs tors. theta energy: -172.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2134.732730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.732730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.732730 (E_RNA)
where:
Base-Base interactions energy: -1504.783
where: short stacking energy: -590.373
Base-Backbone interact. energy: 0.730
local terms energy: -630.679442
where:
bonds (distance) C4'-P energy: -108.636
bonds (distance) P-C4' energy: -118.173
flat angles C4'-P-C4' energy: -133.599
flat angles P-C4'-P energy: -78.246
tors. eta vs tors. theta energy: -192.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1975.389195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.389195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.389195 (E_RNA)
where:
Base-Base interactions energy: -1394.747
where: short stacking energy: -566.282
Base-Backbone interact. energy: 5.882
local terms energy: -586.524109
where:
bonds (distance) C4'-P energy: -102.808
bonds (distance) P-C4' energy: -113.071
flat angles C4'-P-C4' energy: -115.628
flat angles P-C4'-P energy: -87.049
tors. eta vs tors. theta energy: -167.968
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: 446
Temperature: 1.200000
Total energy: -1673.711374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.711374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.711374 (E_RNA)
where:
Base-Base interactions energy: -1127.833
where: short stacking energy: -427.180
Base-Backbone interact. energy: -1.717
local terms energy: -544.161890
where:
bonds (distance) C4'-P energy: -99.417
bonds (distance) P-C4' energy: -118.360
flat angles C4'-P-C4' energy: -131.339
flat angles P-C4'-P energy: -69.104
tors. eta vs tors. theta energy: -125.942
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: 446
Temperature: 1.250000
Total energy: -1304.723330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.723330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.723330 (E_RNA)
where:
Base-Base interactions energy: -843.876
where: short stacking energy: -359.848
Base-Backbone interact. energy: 0.287
local terms energy: -461.134456
where:
bonds (distance) C4'-P energy: -93.102
bonds (distance) P-C4' energy: -113.091
flat angles C4'-P-C4' energy: -112.881
flat angles P-C4'-P energy: -56.117
tors. eta vs tors. theta energy: -85.944
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: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -922.787670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.787670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.787670 (E_RNA)
where:
Base-Base interactions energy: -526.755
where: short stacking energy: -250.524
Base-Backbone interact. energy: 2.223
local terms energy: -398.254949
where:
bonds (distance) C4'-P energy: -92.029
bonds (distance) P-C4' energy: -96.406
flat angles C4'-P-C4' energy: -102.682
flat angles P-C4'-P energy: -59.669
tors. eta vs tors. theta energy: -47.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -503.353570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.353570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.353570 (E_RNA)
where:
Base-Base interactions energy: -199.297
where: short stacking energy: -152.875
Base-Backbone interact. energy: 0.118
local terms energy: -304.174063
where:
bonds (distance) C4'-P energy: -97.453
bonds (distance) P-C4' energy: -106.803
flat angles C4'-P-C4' energy: -79.709
flat angles P-C4'-P energy: -47.874
tors. eta vs tors. theta energy: 27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2520.215318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.215318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.215318 (E_RNA)
where:
Base-Base interactions energy: -1774.355
where: short stacking energy: -712.640
Base-Backbone interact. energy: 1.890
local terms energy: -747.750008
where:
bonds (distance) C4'-P energy: -137.922
bonds (distance) P-C4' energy: -126.330
flat angles C4'-P-C4' energy: -156.572
flat angles P-C4'-P energy: -103.121
tors. eta vs tors. theta energy: -223.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2418.524237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.524237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.524237 (E_RNA)
where:
Base-Base interactions energy: -1752.371
where: short stacking energy: -690.676
Base-Backbone interact. energy: -2.363
local terms energy: -663.789799
where:
bonds (distance) C4'-P energy: -108.382
bonds (distance) P-C4' energy: -107.915
flat angles C4'-P-C4' energy: -134.093
flat angles P-C4'-P energy: -101.330
tors. eta vs tors. theta energy: -212.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2284.895563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.895563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.895563 (E_RNA)
where:
Base-Base interactions energy: -1606.916
where: short stacking energy: -648.770
Base-Backbone interact. energy: -1.004
local terms energy: -676.975794
where:
bonds (distance) C4'-P energy: -117.654
bonds (distance) P-C4' energy: -116.721
flat angles C4'-P-C4' energy: -134.517
flat angles P-C4'-P energy: -100.677
tors. eta vs tors. theta energy: -207.406
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: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2194.648924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.648924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.648924 (E_RNA)
where:
Base-Base interactions energy: -1543.770
where: short stacking energy: -625.413
Base-Backbone interact. energy: -1.433
local terms energy: -649.445793
where:
bonds (distance) C4'-P energy: -103.539
bonds (distance) P-C4' energy: -121.731
flat angles C4'-P-C4' energy: -131.361
flat angles P-C4'-P energy: -96.665
tors. eta vs tors. theta energy: -196.150
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: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2079.133681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.133681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.133681 (E_RNA)
where:
Base-Base interactions energy: -1484.850
where: short stacking energy: -569.889
Base-Backbone interact. energy: -2.258
local terms energy: -592.025749
where:
bonds (distance) C4'-P energy: -104.786
bonds (distance) P-C4' energy: -101.886
flat angles C4'-P-C4' energy: -131.537
flat angles P-C4'-P energy: -81.340
tors. eta vs tors. theta energy: -172.477
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: 447
Temperature: 1.150000
Total energy: -1995.605987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.605987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.605987 (E_RNA)
where:
Base-Base interactions energy: -1394.590
where: short stacking energy: -550.575
Base-Backbone interact. energy: -2.770
local terms energy: -598.245945
where:
bonds (distance) C4'-P energy: -118.511
bonds (distance) P-C4' energy: -79.810
flat angles C4'-P-C4' energy: -138.492
flat angles P-C4'-P energy: -89.782
tors. eta vs tors. theta energy: -171.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1699.948637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.948637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.948637 (E_RNA)
where:
Base-Base interactions energy: -1143.731
where: short stacking energy: -473.010
Base-Backbone interact. energy: -3.076
local terms energy: -553.142468
where:
bonds (distance) C4'-P energy: -104.045
bonds (distance) P-C4' energy: -111.878
flat angles C4'-P-C4' energy: -129.340
flat angles P-C4'-P energy: -82.854
tors. eta vs tors. theta energy: -125.026
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: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1312.196192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.196192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.196192 (E_RNA)
where:
Base-Base interactions energy: -844.612
where: short stacking energy: -352.583
Base-Backbone interact. energy: -1.153
local terms energy: -466.431238
where:
bonds (distance) C4'-P energy: -104.238
bonds (distance) P-C4' energy: -100.613
flat angles C4'-P-C4' energy: -110.717
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -80.870
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: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1013.883635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.883635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.883635 (E_RNA)
where:
Base-Base interactions energy: -603.652
where: short stacking energy: -256.146
Base-Backbone interact. energy: -1.059
local terms energy: -409.173253
where:
bonds (distance) C4'-P energy: -92.689
bonds (distance) P-C4' energy: -114.808
flat angles C4'-P-C4' energy: -98.023
flat angles P-C4'-P energy: -62.677
tors. eta vs tors. theta energy: -40.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -458.490368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.490368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.490368 (E_RNA)
where:
Base-Base interactions energy: -148.229
where: short stacking energy: -116.253
Base-Backbone interact. energy: 3.267
local terms energy: -313.528534
where:
bonds (distance) C4'-P energy: -101.402
bonds (distance) P-C4' energy: -105.427
flat angles C4'-P-C4' energy: -77.040
flat angles P-C4'-P energy: -65.855
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: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2519.219508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.219508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.219508 (E_RNA)
where:
Base-Base interactions energy: -1775.852
where: short stacking energy: -702.883
Base-Backbone interact. energy: -2.891
local terms energy: -740.476221
where:
bonds (distance) C4'-P energy: -120.105
bonds (distance) P-C4' energy: -120.813
flat angles C4'-P-C4' energy: -152.517
flat angles P-C4'-P energy: -123.060
tors. eta vs tors. theta energy: -223.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2436.110042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.110042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.110042 (E_RNA)
where:
Base-Base interactions energy: -1763.267
where: short stacking energy: -701.636
Base-Backbone interact. energy: -2.825
local terms energy: -670.018993
where:
bonds (distance) C4'-P energy: -115.716
bonds (distance) P-C4' energy: -110.428
flat angles C4'-P-C4' energy: -130.736
flat angles P-C4'-P energy: -101.068
tors. eta vs tors. theta energy: -212.072
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: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2293.639963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.639963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.639963 (E_RNA)
where:
Base-Base interactions energy: -1636.270
where: short stacking energy: -614.001
Base-Backbone interact. energy: -5.247
local terms energy: -652.123155
where:
bonds (distance) C4'-P energy: -112.657
bonds (distance) P-C4' energy: -122.282
flat angles C4'-P-C4' energy: -138.008
flat angles P-C4'-P energy: -77.850
tors. eta vs tors. theta energy: -201.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2164.050328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.050328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.050328 (E_RNA)
where:
Base-Base interactions energy: -1531.756
where: short stacking energy: -594.657
Base-Backbone interact. energy: 1.477
local terms energy: -633.771686
where:
bonds (distance) C4'-P energy: -119.161
bonds (distance) P-C4' energy: -124.211
flat angles C4'-P-C4' energy: -124.853
flat angles P-C4'-P energy: -82.905
tors. eta vs tors. theta energy: -182.642
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: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2077.493776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.493776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.493776 (E_RNA)
where:
Base-Base interactions energy: -1454.053
where: short stacking energy: -580.027
Base-Backbone interact. energy: 4.902
local terms energy: -628.342869
where:
bonds (distance) C4'-P energy: -114.666
bonds (distance) P-C4' energy: -116.865
flat angles C4'-P-C4' energy: -138.828
flat angles P-C4'-P energy: -83.600
tors. eta vs tors. theta energy: -174.384
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: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1966.087309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.087309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.087309 (E_RNA)
where:
Base-Base interactions energy: -1377.846
where: short stacking energy: -539.740
Base-Backbone interact. energy: 1.926
local terms energy: -590.166722
where:
bonds (distance) C4'-P energy: -92.026
bonds (distance) P-C4' energy: -112.089
flat angles C4'-P-C4' energy: -130.444
flat angles P-C4'-P energy: -89.283
tors. eta vs tors. theta energy: -166.324
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: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1706.621213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.621213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.621213 (E_RNA)
where:
Base-Base interactions energy: -1155.599
where: short stacking energy: -471.880
Base-Backbone interact. energy: -3.332
local terms energy: -547.690150
where:
bonds (distance) C4'-P energy: -115.308
bonds (distance) P-C4' energy: -114.065
flat angles C4'-P-C4' energy: -101.747
flat angles P-C4'-P energy: -69.059
tors. eta vs tors. theta energy: -147.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1306.751473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.751473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.751473 (E_RNA)
where:
Base-Base interactions energy: -844.803
where: short stacking energy: -366.241
Base-Backbone interact. energy: -1.092
local terms energy: -460.856289
where:
bonds (distance) C4'-P energy: -87.978
bonds (distance) P-C4' energy: -102.543
flat angles C4'-P-C4' energy: -109.957
flat angles P-C4'-P energy: -67.196
tors. eta vs tors. theta energy: -93.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1010.561069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.561069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.561069 (E_RNA)
where:
Base-Base interactions energy: -615.512
where: short stacking energy: -272.148
Base-Backbone interact. energy: -3.242
local terms energy: -391.806620
where:
bonds (distance) C4'-P energy: -86.533
bonds (distance) P-C4' energy: -107.063
flat angles C4'-P-C4' energy: -107.769
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -42.292
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: 448
Temperature: 1.350000
Total energy: -451.036105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.036105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.036105 (E_RNA)
where:
Base-Base interactions energy: -126.692
where: short stacking energy: -95.687
Base-Backbone interact. energy: -4.619
local terms energy: -319.725295
where:
bonds (distance) C4'-P energy: -98.930
bonds (distance) P-C4' energy: -111.885
flat angles C4'-P-C4' energy: -101.935
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: 28.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2512.294682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.294682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.294682 (E_RNA)
where:
Base-Base interactions energy: -1790.227
where: short stacking energy: -719.113
Base-Backbone interact. energy: 1.519
local terms energy: -723.586307
where:
bonds (distance) C4'-P energy: -120.901
bonds (distance) P-C4' energy: -125.734
flat angles C4'-P-C4' energy: -147.182
flat angles P-C4'-P energy: -101.005
tors. eta vs tors. theta energy: -228.763
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: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2438.328671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.328671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.328671 (E_RNA)
where:
Base-Base interactions energy: -1743.187
where: short stacking energy: -683.112
Base-Backbone interact. energy: -1.195
local terms energy: -693.947182
where:
bonds (distance) C4'-P energy: -125.926
bonds (distance) P-C4' energy: -119.607
flat angles C4'-P-C4' energy: -135.035
flat angles P-C4'-P energy: -101.847
tors. eta vs tors. theta energy: -211.531
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: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2296.276434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.276434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.276434 (E_RNA)
where:
Base-Base interactions energy: -1609.463
where: short stacking energy: -641.182
Base-Backbone interact. energy: -2.962
local terms energy: -683.850718
where:
bonds (distance) C4'-P energy: -131.438
bonds (distance) P-C4' energy: -118.498
flat angles C4'-P-C4' energy: -137.801
flat angles P-C4'-P energy: -92.996
tors. eta vs tors. theta energy: -203.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2176.050301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.050301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.050301 (E_RNA)
where:
Base-Base interactions energy: -1561.418
where: short stacking energy: -619.920
Base-Backbone interact. energy: -2.098
local terms energy: -612.534228
where:
bonds (distance) C4'-P energy: -106.145
bonds (distance) P-C4' energy: -106.620
flat angles C4'-P-C4' energy: -133.265
flat angles P-C4'-P energy: -85.359
tors. eta vs tors. theta energy: -181.146
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: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2076.146571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.146571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.146571 (E_RNA)
where:
Base-Base interactions energy: -1460.600
where: short stacking energy: -574.166
Base-Backbone interact. energy: 3.506
local terms energy: -619.053036
where:
bonds (distance) C4'-P energy: -114.359
bonds (distance) P-C4' energy: -105.723
flat angles C4'-P-C4' energy: -150.709
flat angles P-C4'-P energy: -77.267
tors. eta vs tors. theta energy: -170.996
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: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1958.791823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.791823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.791823 (E_RNA)
where:
Base-Base interactions energy: -1361.943
where: short stacking energy: -551.486
Base-Backbone interact. energy: -0.792
local terms energy: -596.057357
where:
bonds (distance) C4'-P energy: -106.833
bonds (distance) P-C4' energy: -124.205
flat angles C4'-P-C4' energy: -118.549
flat angles P-C4'-P energy: -84.130
tors. eta vs tors. theta energy: -162.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1725.461632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.461632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.461632 (E_RNA)
where:
Base-Base interactions energy: -1173.565
where: short stacking energy: -475.291
Base-Backbone interact. energy: -2.139
local terms energy: -549.757307
where:
bonds (distance) C4'-P energy: -105.544
bonds (distance) P-C4' energy: -110.109
flat angles C4'-P-C4' energy: -98.500
flat angles P-C4'-P energy: -98.330
tors. eta vs tors. theta energy: -137.275
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: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1317.240998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.240998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.240998 (E_RNA)
where:
Base-Base interactions energy: -853.300
where: short stacking energy: -366.720
Base-Backbone interact. energy: -1.958
local terms energy: -461.982313
where:
bonds (distance) C4'-P energy: -104.226
bonds (distance) P-C4' energy: -80.074
flat angles C4'-P-C4' energy: -111.626
flat angles P-C4'-P energy: -75.620
tors. eta vs tors. theta energy: -90.436
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: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -985.965459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.965459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.965459 (E_RNA)
where:
Base-Base interactions energy: -585.249
where: short stacking energy: -266.290
Base-Backbone interact. energy: 1.960
local terms energy: -402.676661
where:
bonds (distance) C4'-P energy: -93.701
bonds (distance) P-C4' energy: -100.254
flat angles C4'-P-C4' energy: -105.770
flat angles P-C4'-P energy: -64.402
tors. eta vs tors. theta energy: -38.550
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: 449
Temperature: 1.350000
Total energy: -440.221809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.221809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.221809 (E_RNA)
where:
Base-Base interactions energy: -148.865
where: short stacking energy: -115.135
Base-Backbone interact. energy: 1.627
local terms energy: -292.984157
where:
bonds (distance) C4'-P energy: -99.405
bonds (distance) P-C4' energy: -96.360
flat angles C4'-P-C4' energy: -84.043
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: 31.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2469.338355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.338355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.338355 (E_RNA)
where:
Base-Base interactions energy: -1771.806
where: short stacking energy: -704.189
Base-Backbone interact. energy: -2.376
local terms energy: -695.156312
where:
bonds (distance) C4'-P energy: -116.472
bonds (distance) P-C4' energy: -122.217
flat angles C4'-P-C4' energy: -143.699
flat angles P-C4'-P energy: -103.490
tors. eta vs tors. theta energy: -209.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2452.107345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.107345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.107345 (E_RNA)
where:
Base-Base interactions energy: -1731.464
where: short stacking energy: -689.127
Base-Backbone interact. energy: -1.125
local terms energy: -719.518844
where:
bonds (distance) C4'-P energy: -114.822
bonds (distance) P-C4' energy: -121.728
flat angles C4'-P-C4' energy: -151.997
flat angles P-C4'-P energy: -104.734
tors. eta vs tors. theta energy: -226.238
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: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2325.894870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.894870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.894870 (E_RNA)
where:
Base-Base interactions energy: -1658.120
where: short stacking energy: -647.052
Base-Backbone interact. energy: -0.354
local terms energy: -667.420611
where:
bonds (distance) C4'-P energy: -113.844
bonds (distance) P-C4' energy: -110.152
flat angles C4'-P-C4' energy: -142.994
flat angles P-C4'-P energy: -96.942
tors. eta vs tors. theta energy: -203.488
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: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2247.706104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.706104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.706104 (E_RNA)
where:
Base-Base interactions energy: -1598.216
where: short stacking energy: -642.971
Base-Backbone interact. energy: 4.464
local terms energy: -653.954556
where:
bonds (distance) C4'-P energy: -106.285
bonds (distance) P-C4' energy: -120.073
flat angles C4'-P-C4' energy: -132.259
flat angles P-C4'-P energy: -104.051
tors. eta vs tors. theta energy: -191.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2074.651376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.651376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.651376 (E_RNA)
where:
Base-Base interactions energy: -1456.906
where: short stacking energy: -582.008
Base-Backbone interact. energy: -6.836
local terms energy: -610.909612
where:
bonds (distance) C4'-P energy: -110.993
bonds (distance) P-C4' energy: -114.519
flat angles C4'-P-C4' energy: -135.393
flat angles P-C4'-P energy: -79.680
tors. eta vs tors. theta energy: -170.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1909.201563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.201563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.201563 (E_RNA)
where:
Base-Base interactions energy: -1365.202
where: short stacking energy: -524.485
Base-Backbone interact. energy: -2.143
local terms energy: -541.856861
where:
bonds (distance) C4'-P energy: -106.332
bonds (distance) P-C4' energy: -93.980
flat angles C4'-P-C4' energy: -117.899
flat angles P-C4'-P energy: -71.024
tors. eta vs tors. theta energy: -152.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1631.068108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.068108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.068108 (E_RNA)
where:
Base-Base interactions energy: -1104.568
where: short stacking energy: -435.861
Base-Backbone interact. energy: -0.533
local terms energy: -525.966231
where:
bonds (distance) C4'-P energy: -92.738
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -115.545
flat angles P-C4'-P energy: -73.274
tors. eta vs tors. theta energy: -123.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1333.379633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.379633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.379633 (E_RNA)
where:
Base-Base interactions energy: -845.332
where: short stacking energy: -379.850
Base-Backbone interact. energy: 1.628
local terms energy: -489.675916
where:
bonds (distance) C4'-P energy: -88.630
bonds (distance) P-C4' energy: -109.948
flat angles C4'-P-C4' energy: -118.138
flat angles P-C4'-P energy: -78.072
tors. eta vs tors. theta energy: -94.888
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: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1002.864195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.864195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.864195 (E_RNA)
where:
Base-Base interactions energy: -589.516
where: short stacking energy: -272.387
Base-Backbone interact. energy: 6.826
local terms energy: -420.174373
where:
bonds (distance) C4'-P energy: -115.479
bonds (distance) P-C4' energy: -102.158
flat angles C4'-P-C4' energy: -97.004
flat angles P-C4'-P energy: -50.564
tors. eta vs tors. theta energy: -54.969
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: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -460.880538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.880538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.880538 (E_RNA)
where:
Base-Base interactions energy: -156.084
where: short stacking energy: -128.952
Base-Backbone interact. energy: 4.201
local terms energy: -308.996940
where:
bonds (distance) C4'-P energy: -102.131
bonds (distance) P-C4' energy: -110.480
flat angles C4'-P-C4' energy: -73.852
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: 26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2481.001040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.001040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.001040 (E_RNA)
where:
Base-Base interactions energy: -1771.450
where: short stacking energy: -708.017
Base-Backbone interact. energy: -2.459
local terms energy: -707.092357
where:
bonds (distance) C4'-P energy: -108.572
bonds (distance) P-C4' energy: -130.441
flat angles C4'-P-C4' energy: -147.268
flat angles P-C4'-P energy: -107.652
tors. eta vs tors. theta energy: -213.159
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: 451
Temperature: 0.950000
Total energy: -2453.003123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.003123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.003123 (E_RNA)
where:
Base-Base interactions energy: -1738.107
where: short stacking energy: -685.096
Base-Backbone interact. energy: 0.086
local terms energy: -714.981324
where:
bonds (distance) C4'-P energy: -119.783
bonds (distance) P-C4' energy: -116.639
flat angles C4'-P-C4' energy: -149.260
flat angles P-C4'-P energy: -107.272
tors. eta vs tors. theta energy: -222.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2282.817031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.817031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.817031 (E_RNA)
where:
Base-Base interactions energy: -1616.492
where: short stacking energy: -630.526
Base-Backbone interact. energy: -4.868
local terms energy: -661.457767
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -131.596
flat angles C4'-P-C4' energy: -133.702
flat angles P-C4'-P energy: -94.498
tors. eta vs tors. theta energy: -195.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2234.363581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.363581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.363581 (E_RNA)
where:
Base-Base interactions energy: -1584.969
where: short stacking energy: -626.388
Base-Backbone interact. energy: 2.720
local terms energy: -652.114350
where:
bonds (distance) C4'-P energy: -104.355
bonds (distance) P-C4' energy: -112.932
flat angles C4'-P-C4' energy: -132.458
flat angles P-C4'-P energy: -96.911
tors. eta vs tors. theta energy: -205.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2085.533523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.533523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.533523 (E_RNA)
where:
Base-Base interactions energy: -1454.382
where: short stacking energy: -577.461
Base-Backbone interact. energy: 2.643
local terms energy: -633.794391
where:
bonds (distance) C4'-P energy: -123.340
bonds (distance) P-C4' energy: -112.778
flat angles C4'-P-C4' energy: -136.342
flat angles P-C4'-P energy: -86.330
tors. eta vs tors. theta energy: -175.005
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: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1946.188276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.188276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.188276 (E_RNA)
where:
Base-Base interactions energy: -1374.676
where: short stacking energy: -553.737
Base-Backbone interact. energy: 0.817
local terms energy: -572.329550
where:
bonds (distance) C4'-P energy: -104.224
bonds (distance) P-C4' energy: -120.559
flat angles C4'-P-C4' energy: -122.006
flat angles P-C4'-P energy: -66.094
tors. eta vs tors. theta energy: -159.447
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: 451
Temperature: 1.200000
Total energy: -1719.299486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.299486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.299486 (E_RNA)
where:
Base-Base interactions energy: -1159.007
where: short stacking energy: -468.713
Base-Backbone interact. energy: 2.760
local terms energy: -563.052633
where:
bonds (distance) C4'-P energy: -107.695
bonds (distance) P-C4' energy: -120.603
flat angles C4'-P-C4' energy: -111.557
flat angles P-C4'-P energy: -75.706
tors. eta vs tors. theta energy: -147.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1336.241114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.241114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.241114 (E_RNA)
where:
Base-Base interactions energy: -861.823
where: short stacking energy: -373.263
Base-Backbone interact. energy: 2.820
local terms energy: -477.238452
where:
bonds (distance) C4'-P energy: -96.908
bonds (distance) P-C4' energy: -101.830
flat angles C4'-P-C4' energy: -110.311
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -85.527
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: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1028.345818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.345818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.345818 (E_RNA)
where:
Base-Base interactions energy: -622.127
where: short stacking energy: -268.255
Base-Backbone interact. energy: -1.007
local terms energy: -405.211643
where:
bonds (distance) C4'-P energy: -106.708
bonds (distance) P-C4' energy: -112.352
flat angles C4'-P-C4' energy: -80.609
flat angles P-C4'-P energy: -77.719
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -466.264417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.264417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.264417 (E_RNA)
where:
Base-Base interactions energy: -133.293
where: short stacking energy: -121.193
Base-Backbone interact. energy: 2.192
local terms energy: -335.163362
where:
bonds (distance) C4'-P energy: -108.184
bonds (distance) P-C4' energy: -106.872
flat angles C4'-P-C4' energy: -82.350
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: 8.843
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: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2491.370251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.370251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.370251 (E_RNA)
where:
Base-Base interactions energy: -1780.794
where: short stacking energy: -700.717
Base-Backbone interact. energy: -0.921
local terms energy: -709.654797
where:
bonds (distance) C4'-P energy: -113.804
bonds (distance) P-C4' energy: -131.948
flat angles C4'-P-C4' energy: -143.095
flat angles P-C4'-P energy: -97.185
tors. eta vs tors. theta energy: -223.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2477.454330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.454330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.454330 (E_RNA)
where:
Base-Base interactions energy: -1759.083
where: short stacking energy: -692.623
Base-Backbone interact. energy: 0.181
local terms energy: -718.553149
where:
bonds (distance) C4'-P energy: -120.379
bonds (distance) P-C4' energy: -129.937
flat angles C4'-P-C4' energy: -143.325
flat angles P-C4'-P energy: -106.798
tors. eta vs tors. theta energy: -218.114
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: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2303.972033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.972033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.972033 (E_RNA)
where:
Base-Base interactions energy: -1645.473
where: short stacking energy: -632.068
Base-Backbone interact. energy: -5.126
local terms energy: -653.372905
where:
bonds (distance) C4'-P energy: -110.324
bonds (distance) P-C4' energy: -124.395
flat angles C4'-P-C4' energy: -130.515
flat angles P-C4'-P energy: -92.411
tors. eta vs tors. theta energy: -195.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2158.028840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.028840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.028840 (E_RNA)
where:
Base-Base interactions energy: -1517.720
where: short stacking energy: -610.912
Base-Backbone interact. energy: -1.580
local terms energy: -638.728820
where:
bonds (distance) C4'-P energy: -97.016
bonds (distance) P-C4' energy: -118.738
flat angles C4'-P-C4' energy: -143.779
flat angles P-C4'-P energy: -89.353
tors. eta vs tors. theta energy: -189.842
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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2065.660047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.660047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.660047 (E_RNA)
where:
Base-Base interactions energy: -1459.790
where: short stacking energy: -573.170
Base-Backbone interact. energy: -4.216
local terms energy: -601.654640
where:
bonds (distance) C4'-P energy: -107.482
bonds (distance) P-C4' energy: -109.989
flat angles C4'-P-C4' energy: -122.524
flat angles P-C4'-P energy: -88.930
tors. eta vs tors. theta energy: -172.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1946.117669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.117669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.117669 (E_RNA)
where:
Base-Base interactions energy: -1341.345
where: short stacking energy: -539.508
Base-Backbone interact. energy: -1.070
local terms energy: -603.702261
where:
bonds (distance) C4'-P energy: -110.339
bonds (distance) P-C4' energy: -123.204
flat angles C4'-P-C4' energy: -129.279
flat angles P-C4'-P energy: -74.956
tors. eta vs tors. theta energy: -165.924
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: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1687.086086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.086086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.086086 (E_RNA)
where:
Base-Base interactions energy: -1148.250
where: short stacking energy: -469.217
Base-Backbone interact. energy: 0.139
local terms energy: -538.975449
where:
bonds (distance) C4'-P energy: -91.260
bonds (distance) P-C4' energy: -112.665
flat angles C4'-P-C4' energy: -117.054
flat angles P-C4'-P energy: -81.167
tors. eta vs tors. theta energy: -136.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1333.497197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.497197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.497197 (E_RNA)
where:
Base-Base interactions energy: -865.674
where: short stacking energy: -371.822
Base-Backbone interact. energy: 0.199
local terms energy: -468.022084
where:
bonds (distance) C4'-P energy: -84.093
bonds (distance) P-C4' energy: -114.668
flat angles C4'-P-C4' energy: -96.135
flat angles P-C4'-P energy: -75.296
tors. eta vs tors. theta energy: -97.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1059.600947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.600947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.600947 (E_RNA)
where:
Base-Base interactions energy: -616.803
where: short stacking energy: -290.852
Base-Backbone interact. energy: -0.723
local terms energy: -442.075057
where:
bonds (distance) C4'-P energy: -112.510
bonds (distance) P-C4' energy: -107.673
flat angles C4'-P-C4' energy: -110.081
flat angles P-C4'-P energy: -59.032
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: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -434.560569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.560569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.560569 (E_RNA)
where:
Base-Base interactions energy: -151.511
where: short stacking energy: -135.434
Base-Backbone interact. energy: -1.700
local terms energy: -281.349743
where:
bonds (distance) C4'-P energy: -112.664
bonds (distance) P-C4' energy: -96.409
flat angles C4'-P-C4' energy: -61.493
flat angles P-C4'-P energy: -32.987
tors. eta vs tors. theta energy: 22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2491.188054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.188054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.188054 (E_RNA)
where:
Base-Base interactions energy: -1766.233
where: short stacking energy: -688.757
Base-Backbone interact. energy: -1.545
local terms energy: -723.409218
where:
bonds (distance) C4'-P energy: -126.552
bonds (distance) P-C4' energy: -125.214
flat angles C4'-P-C4' energy: -145.839
flat angles P-C4'-P energy: -108.422
tors. eta vs tors. theta energy: -217.383
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2494.646275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.646275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.646275 (E_RNA)
where:
Base-Base interactions energy: -1769.901
where: short stacking energy: -689.685
Base-Backbone interact. energy: -1.073
local terms energy: -723.672492
where:
bonds (distance) C4'-P energy: -103.791
bonds (distance) P-C4' energy: -129.071
flat angles C4'-P-C4' energy: -148.389
flat angles P-C4'-P energy: -117.980
tors. eta vs tors. theta energy: -224.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2294.747593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.747593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.747593 (E_RNA)
where:
Base-Base interactions energy: -1628.674
where: short stacking energy: -649.140
Base-Backbone interact. energy: -4.066
local terms energy: -662.007071
where:
bonds (distance) C4'-P energy: -114.099
bonds (distance) P-C4' energy: -115.225
flat angles C4'-P-C4' energy: -141.097
flat angles P-C4'-P energy: -95.642
tors. eta vs tors. theta energy: -195.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2192.451029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.451029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.451029 (E_RNA)
where:
Base-Base interactions energy: -1564.098
where: short stacking energy: -625.127
Base-Backbone interact. energy: 1.061
local terms energy: -629.413873
where:
bonds (distance) C4'-P energy: -106.201
bonds (distance) P-C4' energy: -113.528
flat angles C4'-P-C4' energy: -131.911
flat angles P-C4'-P energy: -84.651
tors. eta vs tors. theta energy: -193.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2094.932798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.932798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.932798 (E_RNA)
where:
Base-Base interactions energy: -1485.120
where: short stacking energy: -576.700
Base-Backbone interact. energy: -4.193
local terms energy: -605.620182
where:
bonds (distance) C4'-P energy: -118.118
bonds (distance) P-C4' energy: -116.456
flat angles C4'-P-C4' energy: -124.446
flat angles P-C4'-P energy: -78.887
tors. eta vs tors. theta energy: -167.713
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: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1947.160827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.160827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.160827 (E_RNA)
where:
Base-Base interactions energy: -1364.955
where: short stacking energy: -550.756
Base-Backbone interact. energy: 0.430
local terms energy: -582.636131
where:
bonds (distance) C4'-P energy: -97.367
bonds (distance) P-C4' energy: -116.392
flat angles C4'-P-C4' energy: -134.519
flat angles P-C4'-P energy: -85.795
tors. eta vs tors. theta energy: -148.563
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: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1655.375740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.375740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.375740 (E_RNA)
where:
Base-Base interactions energy: -1141.814
where: short stacking energy: -470.375
Base-Backbone interact. energy: -4.061
local terms energy: -509.501299
where:
bonds (distance) C4'-P energy: -81.021
bonds (distance) P-C4' energy: -104.255
flat angles C4'-P-C4' energy: -113.180
flat angles P-C4'-P energy: -79.852
tors. eta vs tors. theta energy: -131.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1400.253303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.253303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.253303 (E_RNA)
where:
Base-Base interactions energy: -924.898
where: short stacking energy: -403.574
Base-Backbone interact. energy: -0.715
local terms energy: -474.640352
where:
bonds (distance) C4'-P energy: -93.522
bonds (distance) P-C4' energy: -110.161
flat angles C4'-P-C4' energy: -119.009
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -93.941
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: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1008.553092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.553092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.553092 (E_RNA)
where:
Base-Base interactions energy: -605.651
where: short stacking energy: -267.487
Base-Backbone interact. energy: -3.750
local terms energy: -399.152270
where:
bonds (distance) C4'-P energy: -89.415
bonds (distance) P-C4' energy: -98.302
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -65.240
tors. eta vs tors. theta energy: -50.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -458.974465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.974465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.974465 (E_RNA)
where:
Base-Base interactions energy: -139.890
where: short stacking energy: -115.609
Base-Backbone interact. energy: 2.940
local terms energy: -322.023964
where:
bonds (distance) C4'-P energy: -111.968
bonds (distance) P-C4' energy: -97.335
flat angles C4'-P-C4' energy: -79.287
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: 22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2502.321396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.321396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.321396 (E_RNA)
where:
Base-Base interactions energy: -1775.227
where: short stacking energy: -710.108
Base-Backbone interact. energy: -1.864
local terms energy: -725.230089
where:
bonds (distance) C4'-P energy: -123.673
bonds (distance) P-C4' energy: -125.101
flat angles C4'-P-C4' energy: -147.362
flat angles P-C4'-P energy: -108.524
tors. eta vs tors. theta energy: -220.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2498.716565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.716565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.716565 (E_RNA)
where:
Base-Base interactions energy: -1772.509
where: short stacking energy: -712.407
Base-Backbone interact. energy: -3.586
local terms energy: -722.621767
where:
bonds (distance) C4'-P energy: -117.568
bonds (distance) P-C4' energy: -118.849
flat angles C4'-P-C4' energy: -154.308
flat angles P-C4'-P energy: -104.123
tors. eta vs tors. theta energy: -227.773
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: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2327.385284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.385284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.385284 (E_RNA)
where:
Base-Base interactions energy: -1651.981
where: short stacking energy: -649.225
Base-Backbone interact. energy: -1.509
local terms energy: -673.894643
where:
bonds (distance) C4'-P energy: -125.806
bonds (distance) P-C4' energy: -112.538
flat angles C4'-P-C4' energy: -141.848
flat angles P-C4'-P energy: -89.181
tors. eta vs tors. theta energy: -204.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2135.159423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.159423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.159423 (E_RNA)
where:
Base-Base interactions energy: -1522.733
where: short stacking energy: -623.058
Base-Backbone interact. energy: 2.149
local terms energy: -614.576012
where:
bonds (distance) C4'-P energy: -99.726
bonds (distance) P-C4' energy: -120.601
flat angles C4'-P-C4' energy: -114.036
flat angles P-C4'-P energy: -91.037
tors. eta vs tors. theta energy: -189.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2120.211545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.211545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.211545 (E_RNA)
where:
Base-Base interactions energy: -1484.500
where: short stacking energy: -579.826
Base-Backbone interact. energy: -4.358
local terms energy: -631.354336
where:
bonds (distance) C4'-P energy: -123.569
bonds (distance) P-C4' energy: -111.958
flat angles C4'-P-C4' energy: -124.991
flat angles P-C4'-P energy: -91.873
tors. eta vs tors. theta energy: -178.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1947.112943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.112943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.112943 (E_RNA)
where:
Base-Base interactions energy: -1371.956
where: short stacking energy: -542.248
Base-Backbone interact. energy: -1.628
local terms energy: -573.528914
where:
bonds (distance) C4'-P energy: -97.833
bonds (distance) P-C4' energy: -103.055
flat angles C4'-P-C4' energy: -125.836
flat angles P-C4'-P energy: -86.929
tors. eta vs tors. theta energy: -159.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1689.886630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.886630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.886630 (E_RNA)
where:
Base-Base interactions energy: -1155.489
where: short stacking energy: -475.453
Base-Backbone interact. energy: -1.963
local terms energy: -532.434797
where:
bonds (distance) C4'-P energy: -99.148
bonds (distance) P-C4' energy: -92.047
flat angles C4'-P-C4' energy: -128.553
flat angles P-C4'-P energy: -79.550
tors. eta vs tors. theta energy: -133.137
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: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1432.719227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.719227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.719227 (E_RNA)
where:
Base-Base interactions energy: -930.733
where: short stacking energy: -372.466
Base-Backbone interact. energy: -0.542
local terms energy: -501.443896
where:
bonds (distance) C4'-P energy: -98.856
bonds (distance) P-C4' energy: -100.528
flat angles C4'-P-C4' energy: -125.690
flat angles P-C4'-P energy: -72.650
tors. eta vs tors. theta energy: -103.720
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: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1005.006541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.006541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.006541 (E_RNA)
where:
Base-Base interactions energy: -598.121
where: short stacking energy: -273.992
Base-Backbone interact. energy: 5.621
local terms energy: -412.506104
where:
bonds (distance) C4'-P energy: -105.404
bonds (distance) P-C4' energy: -98.789
flat angles C4'-P-C4' energy: -106.964
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -44.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -444.733487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.733487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.733487 (E_RNA)
where:
Base-Base interactions energy: -152.920
where: short stacking energy: -120.012
Base-Backbone interact. energy: 6.111
local terms energy: -297.924755
where:
bonds (distance) C4'-P energy: -109.510
bonds (distance) P-C4' energy: -90.929
flat angles C4'-P-C4' energy: -72.753
flat angles P-C4'-P energy: -59.776
tors. eta vs tors. theta energy: 35.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2496.914646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.914646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.914646 (E_RNA)
where:
Base-Base interactions energy: -1786.856
where: short stacking energy: -715.327
Base-Backbone interact. energy: -2.130
local terms energy: -707.929057
where:
bonds (distance) C4'-P energy: -120.709
bonds (distance) P-C4' energy: -129.984
flat angles C4'-P-C4' energy: -135.874
flat angles P-C4'-P energy: -102.737
tors. eta vs tors. theta energy: -218.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2453.850136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.850136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.850136 (E_RNA)
where:
Base-Base interactions energy: -1768.865
where: short stacking energy: -702.236
Base-Backbone interact. energy: -0.458
local terms energy: -684.526894
where:
bonds (distance) C4'-P energy: -112.956
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -143.119
flat angles P-C4'-P energy: -105.281
tors. eta vs tors. theta energy: -227.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2310.977714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.977714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.977714 (E_RNA)
where:
Base-Base interactions energy: -1626.710
where: short stacking energy: -627.882
Base-Backbone interact. energy: -1.658
local terms energy: -682.609421
where:
bonds (distance) C4'-P energy: -128.306
bonds (distance) P-C4' energy: -125.262
flat angles C4'-P-C4' energy: -134.920
flat angles P-C4'-P energy: -86.660
tors. eta vs tors. theta energy: -207.461
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: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2162.587900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.587900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.587900 (E_RNA)
where:
Base-Base interactions energy: -1508.159
where: short stacking energy: -607.683
Base-Backbone interact. energy: -1.799
local terms energy: -652.630322
where:
bonds (distance) C4'-P energy: -110.838
bonds (distance) P-C4' energy: -122.241
flat angles C4'-P-C4' energy: -133.965
flat angles P-C4'-P energy: -101.339
tors. eta vs tors. theta energy: -184.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2106.070002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.070002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.070002 (E_RNA)
where:
Base-Base interactions energy: -1477.063
where: short stacking energy: -580.369
Base-Backbone interact. energy: -0.572
local terms energy: -628.435629
where:
bonds (distance) C4'-P energy: -115.814
bonds (distance) P-C4' energy: -110.119
flat angles C4'-P-C4' energy: -127.344
flat angles P-C4'-P energy: -102.971
tors. eta vs tors. theta energy: -172.187
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: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1954.009005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.009005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.009005 (E_RNA)
where:
Base-Base interactions energy: -1378.832
where: short stacking energy: -561.741
Base-Backbone interact. energy: -0.023
local terms energy: -575.153785
where:
bonds (distance) C4'-P energy: -89.269
bonds (distance) P-C4' energy: -113.886
flat angles C4'-P-C4' energy: -127.347
flat angles P-C4'-P energy: -86.237
tors. eta vs tors. theta energy: -158.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1726.759665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.759665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.759665 (E_RNA)
where:
Base-Base interactions energy: -1171.789
where: short stacking energy: -443.338
Base-Backbone interact. energy: -3.293
local terms energy: -551.677338
where:
bonds (distance) C4'-P energy: -105.369
bonds (distance) P-C4' energy: -101.486
flat angles C4'-P-C4' energy: -131.345
flat angles P-C4'-P energy: -80.786
tors. eta vs tors. theta energy: -132.691
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: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1378.139545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.139545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.139545 (E_RNA)
where:
Base-Base interactions energy: -881.855
where: short stacking energy: -365.964
Base-Backbone interact. energy: 3.765
local terms energy: -500.049144
where:
bonds (distance) C4'-P energy: -98.471
bonds (distance) P-C4' energy: -124.664
flat angles C4'-P-C4' energy: -113.206
flat angles P-C4'-P energy: -64.414
tors. eta vs tors. theta energy: -99.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -946.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.477198 (E_RNA)
where:
Base-Base interactions energy: -556.192
where: short stacking energy: -240.518
Base-Backbone interact. energy: -1.051
local terms energy: -389.234314
where:
bonds (distance) C4'-P energy: -95.838
bonds (distance) P-C4' energy: -117.158
flat angles C4'-P-C4' energy: -92.321
flat angles P-C4'-P energy: -58.846
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -434.769652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.769652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.769652 (E_RNA)
where:
Base-Base interactions energy: -135.233
where: short stacking energy: -119.778
Base-Backbone interact. energy: 2.828
local terms energy: -302.364937
where:
bonds (distance) C4'-P energy: -86.929
bonds (distance) P-C4' energy: -101.297
flat angles C4'-P-C4' energy: -94.599
flat angles P-C4'-P energy: -50.753
tors. eta vs tors. theta energy: 31.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2497.410511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.410511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.410511 (E_RNA)
where:
Base-Base interactions energy: -1779.761
where: short stacking energy: -705.483
Base-Backbone interact. energy: -1.798
local terms energy: -715.851454
where:
bonds (distance) C4'-P energy: -115.126
bonds (distance) P-C4' energy: -116.795
flat angles C4'-P-C4' energy: -140.009
flat angles P-C4'-P energy: -112.607
tors. eta vs tors. theta energy: -231.315
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: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2463.763368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.763368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.763368 (E_RNA)
where:
Base-Base interactions energy: -1776.610
where: short stacking energy: -692.538
Base-Backbone interact. energy: -2.074
local terms energy: -685.078997
where:
bonds (distance) C4'-P energy: -112.487
bonds (distance) P-C4' energy: -118.788
flat angles C4'-P-C4' energy: -138.172
flat angles P-C4'-P energy: -102.565
tors. eta vs tors. theta energy: -213.067
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: 456
Temperature: 1.000000
Total energy: -2319.673895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.673895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.673895 (E_RNA)
where:
Base-Base interactions energy: -1650.499
where: short stacking energy: -637.478
Base-Backbone interact. energy: -3.816
local terms energy: -665.358202
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -121.983
flat angles C4'-P-C4' energy: -139.387
flat angles P-C4'-P energy: -90.686
tors. eta vs tors. theta energy: -207.104
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: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2179.766710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.766710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.766710 (E_RNA)
where:
Base-Base interactions energy: -1531.555
where: short stacking energy: -619.738
Base-Backbone interact. energy: -1.561
local terms energy: -646.650335
where:
bonds (distance) C4'-P energy: -125.043
bonds (distance) P-C4' energy: -105.319
flat angles C4'-P-C4' energy: -127.943
flat angles P-C4'-P energy: -106.312
tors. eta vs tors. theta energy: -182.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2107.157423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.157423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.157423 (E_RNA)
where:
Base-Base interactions energy: -1495.199
where: short stacking energy: -604.504
Base-Backbone interact. energy: -3.144
local terms energy: -608.814172
where:
bonds (distance) C4'-P energy: -101.750
bonds (distance) P-C4' energy: -114.642
flat angles C4'-P-C4' energy: -132.114
flat angles P-C4'-P energy: -85.216
tors. eta vs tors. theta energy: -175.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1938.756375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.756375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.756375 (E_RNA)
where:
Base-Base interactions energy: -1349.197
where: short stacking energy: -522.360
Base-Backbone interact. energy: -0.724
local terms energy: -588.835116
where:
bonds (distance) C4'-P energy: -119.973
bonds (distance) P-C4' energy: -120.839
flat angles C4'-P-C4' energy: -117.340
flat angles P-C4'-P energy: -65.676
tors. eta vs tors. theta energy: -165.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1735.696125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.696125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.696125 (E_RNA)
where:
Base-Base interactions energy: -1179.158
where: short stacking energy: -478.423
Base-Backbone interact. energy: 2.336
local terms energy: -558.874576
where:
bonds (distance) C4'-P energy: -107.573
bonds (distance) P-C4' energy: -124.606
flat angles C4'-P-C4' energy: -120.446
flat angles P-C4'-P energy: -80.323
tors. eta vs tors. theta energy: -125.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1426.945010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.945010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.945010 (E_RNA)
where:
Base-Base interactions energy: -942.962
where: short stacking energy: -383.460
Base-Backbone interact. energy: -1.861
local terms energy: -482.122119
where:
bonds (distance) C4'-P energy: -98.928
bonds (distance) P-C4' energy: -97.977
flat angles C4'-P-C4' energy: -115.104
flat angles P-C4'-P energy: -57.404
tors. eta vs tors. theta energy: -112.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -944.727881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.727881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.727881 (E_RNA)
where:
Base-Base interactions energy: -531.517
where: short stacking energy: -269.197
Base-Backbone interact. energy: 0.772
local terms energy: -413.982127
where:
bonds (distance) C4'-P energy: -103.886
bonds (distance) P-C4' energy: -118.888
flat angles C4'-P-C4' energy: -91.840
flat angles P-C4'-P energy: -54.770
tors. eta vs tors. theta energy: -44.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -438.675263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.675263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.675263 (E_RNA)
where:
Base-Base interactions energy: -132.752
where: short stacking energy: -107.647
Base-Backbone interact. energy: 0.718
local terms energy: -306.641275
where:
bonds (distance) C4'-P energy: -93.543
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -94.651
flat angles P-C4'-P energy: -49.425
tors. eta vs tors. theta energy: 40.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2500.150302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.150302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.150302 (E_RNA)
where:
Base-Base interactions energy: -1799.243
where: short stacking energy: -717.133
Base-Backbone interact. energy: 4.815
local terms energy: -705.722367
where:
bonds (distance) C4'-P energy: -119.532
bonds (distance) P-C4' energy: -111.478
flat angles C4'-P-C4' energy: -146.964
flat angles P-C4'-P energy: -108.993
tors. eta vs tors. theta energy: -218.756
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: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2467.700610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.700610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.700610 (E_RNA)
where:
Base-Base interactions energy: -1762.354
where: short stacking energy: -684.419
Base-Backbone interact. energy: 0.584
local terms energy: -705.930943
where:
bonds (distance) C4'-P energy: -124.280
bonds (distance) P-C4' energy: -121.039
flat angles C4'-P-C4' energy: -143.368
flat angles P-C4'-P energy: -102.465
tors. eta vs tors. theta energy: -214.779
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: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2310.526634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.526634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.526634 (E_RNA)
where:
Base-Base interactions energy: -1644.383
where: short stacking energy: -654.687
Base-Backbone interact. energy: -4.842
local terms energy: -661.301615
where:
bonds (distance) C4'-P energy: -117.943
bonds (distance) P-C4' energy: -111.775
flat angles C4'-P-C4' energy: -137.225
flat angles P-C4'-P energy: -88.850
tors. eta vs tors. theta energy: -205.509
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: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2200.073424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.073424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.073424 (E_RNA)
where:
Base-Base interactions energy: -1569.193
where: short stacking energy: -617.672
Base-Backbone interact. energy: -2.420
local terms energy: -628.460099
where:
bonds (distance) C4'-P energy: -104.992
bonds (distance) P-C4' energy: -111.509
flat angles C4'-P-C4' energy: -145.072
flat angles P-C4'-P energy: -77.332
tors. eta vs tors. theta energy: -189.555
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: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2088.748377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.748377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.748377 (E_RNA)
where:
Base-Base interactions energy: -1465.202
where: short stacking energy: -576.598
Base-Backbone interact. energy: 3.749
local terms energy: -627.295595
where:
bonds (distance) C4'-P energy: -103.707
bonds (distance) P-C4' energy: -121.388
flat angles C4'-P-C4' energy: -133.809
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -174.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2054.736065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.736065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.736065 (E_RNA)
where:
Base-Base interactions energy: -1425.418
where: short stacking energy: -572.832
Base-Backbone interact. energy: -2.155
local terms energy: -627.162313
where:
bonds (distance) C4'-P energy: -107.135
bonds (distance) P-C4' energy: -127.056
flat angles C4'-P-C4' energy: -135.674
flat angles P-C4'-P energy: -77.447
tors. eta vs tors. theta energy: -179.851
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: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1719.307388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.307388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.307388 (E_RNA)
where:
Base-Base interactions energy: -1187.753
where: short stacking energy: -486.142
Base-Backbone interact. energy: 0.383
local terms energy: -531.937286
where:
bonds (distance) C4'-P energy: -106.280
bonds (distance) P-C4' energy: -87.323
flat angles C4'-P-C4' energy: -114.378
flat angles P-C4'-P energy: -88.744
tors. eta vs tors. theta energy: -135.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1427.815843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.815843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.815843 (E_RNA)
where:
Base-Base interactions energy: -950.651
where: short stacking energy: -391.112
Base-Backbone interact. energy: -2.311
local terms energy: -474.854255
where:
bonds (distance) C4'-P energy: -106.012
bonds (distance) P-C4' energy: -104.411
flat angles C4'-P-C4' energy: -112.176
flat angles P-C4'-P energy: -54.967
tors. eta vs tors. theta energy: -97.288
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: 457
Temperature: 1.300000
Total energy: -950.810413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.810413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.810413 (E_RNA)
where:
Base-Base interactions energy: -561.364
where: short stacking energy: -263.700
Base-Backbone interact. energy: -0.219
local terms energy: -389.227432
where:
bonds (distance) C4'-P energy: -104.423
bonds (distance) P-C4' energy: -92.914
flat angles C4'-P-C4' energy: -90.991
flat angles P-C4'-P energy: -62.954
tors. eta vs tors. theta energy: -37.946
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: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -448.012688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.012688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.012688 (E_RNA)
where:
Base-Base interactions energy: -127.185
where: short stacking energy: -114.740
Base-Backbone interact. energy: -0.652
local terms energy: -320.176386
where:
bonds (distance) C4'-P energy: -97.414
bonds (distance) P-C4' energy: -81.844
flat angles C4'-P-C4' energy: -97.778
flat angles P-C4'-P energy: -71.207
tors. eta vs tors. theta energy: 28.067
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: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2531.768345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.768345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.768345 (E_RNA)
where:
Base-Base interactions energy: -1802.962
where: short stacking energy: -718.252
Base-Backbone interact. energy: 1.097
local terms energy: -729.903767
where:
bonds (distance) C4'-P energy: -124.292
bonds (distance) P-C4' energy: -119.693
flat angles C4'-P-C4' energy: -150.867
flat angles P-C4'-P energy: -107.196
tors. eta vs tors. theta energy: -227.856
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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2435.681541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.681541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.681541 (E_RNA)
where:
Base-Base interactions energy: -1757.701
where: short stacking energy: -691.059
Base-Backbone interact. energy: -2.494
local terms energy: -675.486866
where:
bonds (distance) C4'-P energy: -110.480
bonds (distance) P-C4' energy: -117.727
flat angles C4'-P-C4' energy: -138.716
flat angles P-C4'-P energy: -92.805
tors. eta vs tors. theta energy: -215.759
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: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2346.662779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.662779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.662779 (E_RNA)
where:
Base-Base interactions energy: -1656.339
where: short stacking energy: -661.246
Base-Backbone interact. energy: -0.611
local terms energy: -689.712360
where:
bonds (distance) C4'-P energy: -126.862
bonds (distance) P-C4' energy: -121.337
flat angles C4'-P-C4' energy: -129.891
flat angles P-C4'-P energy: -101.505
tors. eta vs tors. theta energy: -210.118
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: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2192.892635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.892635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.892635 (E_RNA)
where:
Base-Base interactions energy: -1546.506
where: short stacking energy: -612.535
Base-Backbone interact. energy: 3.988
local terms energy: -650.374187
where:
bonds (distance) C4'-P energy: -123.626
bonds (distance) P-C4' energy: -120.169
flat angles C4'-P-C4' energy: -137.116
flat angles P-C4'-P energy: -79.928
tors. eta vs tors. theta energy: -189.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2075.473078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.473078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.473078 (E_RNA)
where:
Base-Base interactions energy: -1472.549
where: short stacking energy: -602.365
Base-Backbone interact. energy: -3.409
local terms energy: -599.514943
where:
bonds (distance) C4'-P energy: -109.923
bonds (distance) P-C4' energy: -97.303
flat angles C4'-P-C4' energy: -122.528
flat angles P-C4'-P energy: -98.179
tors. eta vs tors. theta energy: -171.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2008.607599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.607599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.607599 (E_RNA)
where:
Base-Base interactions energy: -1424.668
where: short stacking energy: -551.012
Base-Backbone interact. energy: -3.052
local terms energy: -580.887886
where:
bonds (distance) C4'-P energy: -106.105
bonds (distance) P-C4' energy: -94.134
flat angles C4'-P-C4' energy: -135.217
flat angles P-C4'-P energy: -76.397
tors. eta vs tors. theta energy: -169.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1717.752561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.752561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.752561 (E_RNA)
where:
Base-Base interactions energy: -1180.064
where: short stacking energy: -471.553
Base-Backbone interact. energy: -0.306
local terms energy: -537.382184
where:
bonds (distance) C4'-P energy: -112.762
bonds (distance) P-C4' energy: -107.404
flat angles C4'-P-C4' energy: -112.246
flat angles P-C4'-P energy: -72.503
tors. eta vs tors. theta energy: -132.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1403.242011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.242011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.242011 (E_RNA)
where:
Base-Base interactions energy: -902.621
where: short stacking energy: -393.292
Base-Backbone interact. energy: -2.645
local terms energy: -497.975620
where:
bonds (distance) C4'-P energy: -91.465
bonds (distance) P-C4' energy: -94.317
flat angles C4'-P-C4' energy: -133.489
flat angles P-C4'-P energy: -79.725
tors. eta vs tors. theta energy: -98.979
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: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -902.792096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.792096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.792096 (E_RNA)
where:
Base-Base interactions energy: -495.932
where: short stacking energy: -240.700
Base-Backbone interact. energy: -1.416
local terms energy: -405.443312
where:
bonds (distance) C4'-P energy: -97.530
bonds (distance) P-C4' energy: -111.916
flat angles C4'-P-C4' energy: -92.336
flat angles P-C4'-P energy: -61.663
tors. eta vs tors. theta energy: -41.998
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: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -446.824574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.824574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.824574 (E_RNA)
where:
Base-Base interactions energy: -155.188
where: short stacking energy: -119.074
Base-Backbone interact. energy: 6.941
local terms energy: -298.577503
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -107.892
flat angles C4'-P-C4' energy: -91.971
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: 44.461
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: 459
Temperature: 0.900000
Total energy: -2543.077389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.077389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.077389 (E_RNA)
where:
Base-Base interactions energy: -1807.979
where: short stacking energy: -707.087
Base-Backbone interact. energy: 3.576
local terms energy: -738.673440
where:
bonds (distance) C4'-P energy: -132.830
bonds (distance) P-C4' energy: -121.306
flat angles C4'-P-C4' energy: -147.261
flat angles P-C4'-P energy: -110.427
tors. eta vs tors. theta energy: -226.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2425.199672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.199672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.199672 (E_RNA)
where:
Base-Base interactions energy: -1712.350
where: short stacking energy: -660.514
Base-Backbone interact. energy: 0.237
local terms energy: -713.086377
where:
bonds (distance) C4'-P energy: -138.182
bonds (distance) P-C4' energy: -116.705
flat angles C4'-P-C4' energy: -137.745
flat angles P-C4'-P energy: -99.129
tors. eta vs tors. theta energy: -221.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2309.258264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.258264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.258264 (E_RNA)
where:
Base-Base interactions energy: -1640.528
where: short stacking energy: -637.710
Base-Backbone interact. energy: -1.571
local terms energy: -667.159182
where:
bonds (distance) C4'-P energy: -114.032
bonds (distance) P-C4' energy: -123.378
flat angles C4'-P-C4' energy: -137.899
flat angles P-C4'-P energy: -86.447
tors. eta vs tors. theta energy: -205.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2150.083990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.083990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.083990 (E_RNA)
where:
Base-Base interactions energy: -1515.802
where: short stacking energy: -619.333
Base-Backbone interact. energy: -0.383
local terms energy: -633.899074
where:
bonds (distance) C4'-P energy: -111.672
bonds (distance) P-C4' energy: -117.355
flat angles C4'-P-C4' energy: -134.197
flat angles P-C4'-P energy: -88.683
tors. eta vs tors. theta energy: -181.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2120.318024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.318024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.318024 (E_RNA)
where:
Base-Base interactions energy: -1494.909
where: short stacking energy: -590.122
Base-Backbone interact. energy: -2.070
local terms energy: -623.338814
where:
bonds (distance) C4'-P energy: -94.229
bonds (distance) P-C4' energy: -116.061
flat angles C4'-P-C4' energy: -143.919
flat angles P-C4'-P energy: -81.753
tors. eta vs tors. theta energy: -187.376
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: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2000.749147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.749147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.749147 (E_RNA)
where:
Base-Base interactions energy: -1423.073
where: short stacking energy: -555.384
Base-Backbone interact. energy: -5.881
local terms energy: -571.795798
where:
bonds (distance) C4'-P energy: -106.970
bonds (distance) P-C4' energy: -113.955
flat angles C4'-P-C4' energy: -113.437
flat angles P-C4'-P energy: -72.054
tors. eta vs tors. theta energy: -165.379
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: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1703.897984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.897984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.897984 (E_RNA)
where:
Base-Base interactions energy: -1182.396
where: short stacking energy: -492.769
Base-Backbone interact. energy: -1.443
local terms energy: -520.058817
where:
bonds (distance) C4'-P energy: -91.177
bonds (distance) P-C4' energy: -91.112
flat angles C4'-P-C4' energy: -114.389
flat angles P-C4'-P energy: -77.185
tors. eta vs tors. theta energy: -146.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1399.251917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.251917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.251917 (E_RNA)
where:
Base-Base interactions energy: -931.771
where: short stacking energy: -392.648
Base-Backbone interact. energy: 0.493
local terms energy: -467.973162
where:
bonds (distance) C4'-P energy: -86.985
bonds (distance) P-C4' energy: -111.207
flat angles C4'-P-C4' energy: -116.052
flat angles P-C4'-P energy: -66.739
tors. eta vs tors. theta energy: -86.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -929.299542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.299542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.299542 (E_RNA)
where:
Base-Base interactions energy: -527.052
where: short stacking energy: -251.901
Base-Backbone interact. energy: 0.152
local terms energy: -402.399546
where:
bonds (distance) C4'-P energy: -96.408
bonds (distance) P-C4' energy: -104.234
flat angles C4'-P-C4' energy: -99.966
flat angles P-C4'-P energy: -57.272
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: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -484.615958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.615958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.615958 (E_RNA)
where:
Base-Base interactions energy: -169.964
where: short stacking energy: -149.390
Base-Backbone interact. energy: 0.495
local terms energy: -315.147340
where:
bonds (distance) C4'-P energy: -90.342
bonds (distance) P-C4' energy: -88.256
flat angles C4'-P-C4' energy: -97.864
flat angles P-C4'-P energy: -55.641
tors. eta vs tors. theta energy: 16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2551.557037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.557037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.557037 (E_RNA)
where:
Base-Base interactions energy: -1819.507
where: short stacking energy: -721.933
Base-Backbone interact. energy: -1.347
local terms energy: -730.703272
where:
bonds (distance) C4'-P energy: -130.647
bonds (distance) P-C4' energy: -128.892
flat angles C4'-P-C4' energy: -147.116
flat angles P-C4'-P energy: -99.615
tors. eta vs tors. theta energy: -224.433
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: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2441.959125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.959125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.959125 (E_RNA)
where:
Base-Base interactions energy: -1754.367
where: short stacking energy: -679.115
Base-Backbone interact. energy: -0.473
local terms energy: -687.119226
where:
bonds (distance) C4'-P energy: -126.755
bonds (distance) P-C4' energy: -113.513
flat angles C4'-P-C4' energy: -136.297
flat angles P-C4'-P energy: -102.499
tors. eta vs tors. theta energy: -208.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2326.688757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.688757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.688757 (E_RNA)
where:
Base-Base interactions energy: -1634.543
where: short stacking energy: -643.809
Base-Backbone interact. energy: -1.332
local terms energy: -690.813053
where:
bonds (distance) C4'-P energy: -105.829
bonds (distance) P-C4' energy: -118.224
flat angles C4'-P-C4' energy: -150.132
flat angles P-C4'-P energy: -106.521
tors. eta vs tors. theta energy: -210.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2138.501700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.501700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.501700 (E_RNA)
where:
Base-Base interactions energy: -1500.907
where: short stacking energy: -581.595
Base-Backbone interact. energy: -0.145
local terms energy: -637.449323
where:
bonds (distance) C4'-P energy: -131.717
bonds (distance) P-C4' energy: -107.045
flat angles C4'-P-C4' energy: -138.796
flat angles P-C4'-P energy: -79.690
tors. eta vs tors. theta energy: -180.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2110.989841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.989841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.989841 (E_RNA)
where:
Base-Base interactions energy: -1462.926
where: short stacking energy: -595.337
Base-Backbone interact. energy: -0.083
local terms energy: -647.980358
where:
bonds (distance) C4'-P energy: -121.994
bonds (distance) P-C4' energy: -119.574
flat angles C4'-P-C4' energy: -128.409
flat angles P-C4'-P energy: -88.555
tors. eta vs tors. theta energy: -189.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2017.065511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.065511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.065511 (E_RNA)
where:
Base-Base interactions energy: -1427.122
where: short stacking energy: -585.025
Base-Backbone interact. energy: 0.414
local terms energy: -590.357381
where:
bonds (distance) C4'-P energy: -105.801
bonds (distance) P-C4' energy: -109.509
flat angles C4'-P-C4' energy: -131.213
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -171.798
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: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1691.814719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.814719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.814719 (E_RNA)
where:
Base-Base interactions energy: -1144.421
where: short stacking energy: -479.232
Base-Backbone interact. energy: -3.016
local terms energy: -544.377277
where:
bonds (distance) C4'-P energy: -95.278
bonds (distance) P-C4' energy: -101.537
flat angles C4'-P-C4' energy: -117.108
flat angles P-C4'-P energy: -92.270
tors. eta vs tors. theta energy: -138.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1399.739174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.739174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.739174 (E_RNA)
where:
Base-Base interactions energy: -925.580
where: short stacking energy: -381.699
Base-Backbone interact. energy: 3.371
local terms energy: -477.530882
where:
bonds (distance) C4'-P energy: -87.712
bonds (distance) P-C4' energy: -93.591
flat angles C4'-P-C4' energy: -122.398
flat angles P-C4'-P energy: -76.007
tors. eta vs tors. theta energy: -97.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -862.367385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.367385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.367385 (E_RNA)
where:
Base-Base interactions energy: -479.490
where: short stacking energy: -235.316
Base-Backbone interact. energy: -2.344
local terms energy: -380.533271
where:
bonds (distance) C4'-P energy: -91.250
bonds (distance) P-C4' energy: -107.747
flat angles C4'-P-C4' energy: -95.872
flat angles P-C4'-P energy: -67.213
tors. eta vs tors. theta energy: -18.451
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: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -434.131898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.131898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.131898 (E_RNA)
where:
Base-Base interactions energy: -123.251
where: short stacking energy: -109.334
Base-Backbone interact. energy: -0.842
local terms energy: -310.038103
where:
bonds (distance) C4'-P energy: -102.170
bonds (distance) P-C4' energy: -104.762
flat angles C4'-P-C4' energy: -93.263
flat angles P-C4'-P energy: -56.945
tors. eta vs tors. theta energy: 47.102
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: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2534.121926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.121926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.121926 (E_RNA)
where:
Base-Base interactions energy: -1796.684
where: short stacking energy: -705.783
Base-Backbone interact. energy: -0.872
local terms energy: -736.565901
where:
bonds (distance) C4'-P energy: -129.262
bonds (distance) P-C4' energy: -121.739
flat angles C4'-P-C4' energy: -156.956
flat angles P-C4'-P energy: -101.914
tors. eta vs tors. theta energy: -226.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2468.871763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.871763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.871763 (E_RNA)
where:
Base-Base interactions energy: -1769.892
where: short stacking energy: -696.455
Base-Backbone interact. energy: -1.662
local terms energy: -697.318129
where:
bonds (distance) C4'-P energy: -105.782
bonds (distance) P-C4' energy: -129.600
flat angles C4'-P-C4' energy: -147.030
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -218.391
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: 461
Temperature: 1.000000
Total energy: -2290.442299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.442299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.442299 (E_RNA)
where:
Base-Base interactions energy: -1622.477
where: short stacking energy: -632.365
Base-Backbone interact. energy: -3.685
local terms energy: -664.279860
where:
bonds (distance) C4'-P energy: -109.646
bonds (distance) P-C4' energy: -115.697
flat angles C4'-P-C4' energy: -146.385
flat angles P-C4'-P energy: -98.338
tors. eta vs tors. theta energy: -194.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2188.114423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.114423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.114423 (E_RNA)
where:
Base-Base interactions energy: -1540.963
where: short stacking energy: -613.530
Base-Backbone interact. energy: -1.838
local terms energy: -645.313939
where:
bonds (distance) C4'-P energy: -115.694
bonds (distance) P-C4' energy: -115.836
flat angles C4'-P-C4' energy: -136.491
flat angles P-C4'-P energy: -84.813
tors. eta vs tors. theta energy: -192.479
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: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2090.392821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.392821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.392821 (E_RNA)
where:
Base-Base interactions energy: -1469.280
where: short stacking energy: -591.778
Base-Backbone interact. energy: -2.122
local terms energy: -618.990825
where:
bonds (distance) C4'-P energy: -105.710
bonds (distance) P-C4' energy: -121.922
flat angles C4'-P-C4' energy: -135.549
flat angles P-C4'-P energy: -81.712
tors. eta vs tors. theta energy: -174.097
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2051.524940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.524940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.524940 (E_RNA)
where:
Base-Base interactions energy: -1441.766
where: short stacking energy: -567.263
Base-Backbone interact. energy: -0.856
local terms energy: -608.902954
where:
bonds (distance) C4'-P energy: -103.765
bonds (distance) P-C4' energy: -122.374
flat angles C4'-P-C4' energy: -116.133
flat angles P-C4'-P energy: -84.991
tors. eta vs tors. theta energy: -181.641
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: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1692.215267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.215267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.215267 (E_RNA)
where:
Base-Base interactions energy: -1133.987
where: short stacking energy: -482.919
Base-Backbone interact. energy: 1.651
local terms energy: -559.878698
where:
bonds (distance) C4'-P energy: -116.286
bonds (distance) P-C4' energy: -102.105
flat angles C4'-P-C4' energy: -117.965
flat angles P-C4'-P energy: -86.450
tors. eta vs tors. theta energy: -137.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1422.657464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.657464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.657464 (E_RNA)
where:
Base-Base interactions energy: -935.573
where: short stacking energy: -402.345
Base-Backbone interact. energy: 2.288
local terms energy: -489.373059
where:
bonds (distance) C4'-P energy: -100.776
bonds (distance) P-C4' energy: -104.936
flat angles C4'-P-C4' energy: -104.554
flat angles P-C4'-P energy: -71.663
tors. eta vs tors. theta energy: -107.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -817.447202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.447202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.447202 (E_RNA)
where:
Base-Base interactions energy: -422.736
where: short stacking energy: -204.180
Base-Backbone interact. energy: 0.548
local terms energy: -395.259641
where:
bonds (distance) C4'-P energy: -103.684
bonds (distance) P-C4' energy: -112.884
flat angles C4'-P-C4' energy: -85.491
flat angles P-C4'-P energy: -65.001
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -450.625460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.625460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.625460 (E_RNA)
where:
Base-Base interactions energy: -103.321
where: short stacking energy: -86.346
Base-Backbone interact. energy: -2.366
local terms energy: -344.938304
where:
bonds (distance) C4'-P energy: -104.222
bonds (distance) P-C4' energy: -119.450
flat angles C4'-P-C4' energy: -99.277
flat angles P-C4'-P energy: -51.084
tors. eta vs tors. theta energy: 29.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2558.542399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.542399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.542399 (E_RNA)
where:
Base-Base interactions energy: -1812.215
where: short stacking energy: -712.035
Base-Backbone interact. energy: -1.422
local terms energy: -744.905885
where:
bonds (distance) C4'-P energy: -131.752
bonds (distance) P-C4' energy: -123.302
flat angles C4'-P-C4' energy: -156.902
flat angles P-C4'-P energy: -102.110
tors. eta vs tors. theta energy: -230.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2461.150225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.150225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.150225 (E_RNA)
where:
Base-Base interactions energy: -1771.864
where: short stacking energy: -702.577
Base-Backbone interact. energy: -0.905
local terms energy: -688.380694
where:
bonds (distance) C4'-P energy: -110.896
bonds (distance) P-C4' energy: -125.167
flat angles C4'-P-C4' energy: -136.087
flat angles P-C4'-P energy: -96.846
tors. eta vs tors. theta energy: -219.385
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: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2277.968257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.968257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.968257 (E_RNA)
where:
Base-Base interactions energy: -1590.260
where: short stacking energy: -641.134
Base-Backbone interact. energy: -0.176
local terms energy: -687.533054
where:
bonds (distance) C4'-P energy: -129.774
bonds (distance) P-C4' energy: -115.180
flat angles C4'-P-C4' energy: -143.979
flat angles P-C4'-P energy: -97.778
tors. eta vs tors. theta energy: -200.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2219.519048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.519048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.519048 (E_RNA)
where:
Base-Base interactions energy: -1594.954
where: short stacking energy: -624.518
Base-Backbone interact. energy: -1.027
local terms energy: -623.538450
where:
bonds (distance) C4'-P energy: -96.076
bonds (distance) P-C4' energy: -108.538
flat angles C4'-P-C4' energy: -139.421
flat angles P-C4'-P energy: -84.129
tors. eta vs tors. theta energy: -195.375
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: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2105.862909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.862909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.862909 (E_RNA)
where:
Base-Base interactions energy: -1493.061
where: short stacking energy: -586.371
Base-Backbone interact. energy: -3.107
local terms energy: -609.694446
where:
bonds (distance) C4'-P energy: -98.189
bonds (distance) P-C4' energy: -102.368
flat angles C4'-P-C4' energy: -142.930
flat angles P-C4'-P energy: -84.745
tors. eta vs tors. theta energy: -181.462
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: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2052.654615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.654615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.654615 (E_RNA)
where:
Base-Base interactions energy: -1427.006
where: short stacking energy: -572.433
Base-Backbone interact. energy: -1.322
local terms energy: -624.326684
where:
bonds (distance) C4'-P energy: -119.457
bonds (distance) P-C4' energy: -112.915
flat angles C4'-P-C4' energy: -139.308
flat angles P-C4'-P energy: -72.444
tors. eta vs tors. theta energy: -180.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1694.209669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.209669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.209669 (E_RNA)
where:
Base-Base interactions energy: -1128.821
where: short stacking energy: -467.960
Base-Backbone interact. energy: 4.389
local terms energy: -569.777474
where:
bonds (distance) C4'-P energy: -119.388
bonds (distance) P-C4' energy: -98.428
flat angles C4'-P-C4' energy: -120.630
flat angles P-C4'-P energy: -79.280
tors. eta vs tors. theta energy: -152.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1421.154365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.154365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.154365 (E_RNA)
where:
Base-Base interactions energy: -904.877
where: short stacking energy: -394.563
Base-Backbone interact. energy: 2.384
local terms energy: -518.661252
where:
bonds (distance) C4'-P energy: -108.779
bonds (distance) P-C4' energy: -124.721
flat angles C4'-P-C4' energy: -110.354
flat angles P-C4'-P energy: -81.658
tors. eta vs tors. theta energy: -93.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -821.535343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.535343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.535343 (E_RNA)
where:
Base-Base interactions energy: -472.012
where: short stacking energy: -243.854
Base-Backbone interact. energy: 2.840
local terms energy: -352.363907
where:
bonds (distance) C4'-P energy: -93.525
bonds (distance) P-C4' energy: -104.895
flat angles C4'-P-C4' energy: -90.134
flat angles P-C4'-P energy: -51.122
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -449.650264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.650264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.650264 (E_RNA)
where:
Base-Base interactions energy: -134.141
where: short stacking energy: -107.821
Base-Backbone interact. energy: 5.951
local terms energy: -321.460448
where:
bonds (distance) C4'-P energy: -86.452
bonds (distance) P-C4' energy: -120.030
flat angles C4'-P-C4' energy: -74.763
flat angles P-C4'-P energy: -62.920
tors. eta vs tors. theta energy: 22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2540.160693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.160693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.160693 (E_RNA)
where:
Base-Base interactions energy: -1819.284
where: short stacking energy: -729.525
Base-Backbone interact. energy: -1.247
local terms energy: -719.629539
where:
bonds (distance) C4'-P energy: -117.142
bonds (distance) P-C4' energy: -121.273
flat angles C4'-P-C4' energy: -149.980
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -230.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2468.248711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.248711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.248711 (E_RNA)
where:
Base-Base interactions energy: -1764.530
where: short stacking energy: -693.357
Base-Backbone interact. energy: -1.905
local terms energy: -701.812815
where:
bonds (distance) C4'-P energy: -118.764
bonds (distance) P-C4' energy: -123.459
flat angles C4'-P-C4' energy: -138.384
flat angles P-C4'-P energy: -101.342
tors. eta vs tors. theta energy: -219.864
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: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2291.946267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.946267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.946267 (E_RNA)
where:
Base-Base interactions energy: -1619.692
where: short stacking energy: -618.234
Base-Backbone interact. energy: -4.650
local terms energy: -667.604496
where:
bonds (distance) C4'-P energy: -114.555
bonds (distance) P-C4' energy: -117.268
flat angles C4'-P-C4' energy: -137.666
flat angles P-C4'-P energy: -88.587
tors. eta vs tors. theta energy: -209.528
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: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2193.789809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.789809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.789809 (E_RNA)
where:
Base-Base interactions energy: -1548.164
where: short stacking energy: -603.286
Base-Backbone interact. energy: 0.625
local terms energy: -646.250960
where:
bonds (distance) C4'-P energy: -108.628
bonds (distance) P-C4' energy: -115.241
flat angles C4'-P-C4' energy: -138.189
flat angles P-C4'-P energy: -90.297
tors. eta vs tors. theta energy: -193.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2136.351898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.351898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.351898 (E_RNA)
where:
Base-Base interactions energy: -1490.865
where: short stacking energy: -569.362
Base-Backbone interact. energy: 0.874
local terms energy: -646.361207
where:
bonds (distance) C4'-P energy: -128.598
bonds (distance) P-C4' energy: -119.860
flat angles C4'-P-C4' energy: -129.802
flat angles P-C4'-P energy: -88.769
tors. eta vs tors. theta energy: -179.332
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: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2024.426852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.426852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.426852 (E_RNA)
where:
Base-Base interactions energy: -1439.664
where: short stacking energy: -561.609
Base-Backbone interact. energy: -1.939
local terms energy: -582.823262
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -101.722
flat angles C4'-P-C4' energy: -130.308
flat angles P-C4'-P energy: -74.884
tors. eta vs tors. theta energy: -167.427
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: 463
Temperature: 1.200000
Total energy: -1725.576100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.576100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.576100 (E_RNA)
where:
Base-Base interactions energy: -1200.194
where: short stacking energy: -491.867
Base-Backbone interact. energy: -6.026
local terms energy: -519.356053
where:
bonds (distance) C4'-P energy: -82.823
bonds (distance) P-C4' energy: -96.813
flat angles C4'-P-C4' energy: -130.854
flat angles P-C4'-P energy: -67.281
tors. eta vs tors. theta energy: -141.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1445.850229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.850229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.850229 (E_RNA)
where:
Base-Base interactions energy: -924.308
where: short stacking energy: -381.675
Base-Backbone interact. energy: -0.296
local terms energy: -521.246013
where:
bonds (distance) C4'-P energy: -106.181
bonds (distance) P-C4' energy: -121.867
flat angles C4'-P-C4' energy: -113.533
flat angles P-C4'-P energy: -70.956
tors. eta vs tors. theta energy: -108.709
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: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -828.777669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.777669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.777669 (E_RNA)
where:
Base-Base interactions energy: -456.123
where: short stacking energy: -215.002
Base-Backbone interact. energy: -0.004
local terms energy: -372.651028
where:
bonds (distance) C4'-P energy: -101.357
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -80.068
flat angles P-C4'-P energy: -58.432
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -460.683890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.683890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.683890 (E_RNA)
where:
Base-Base interactions energy: -162.951
where: short stacking energy: -133.343
Base-Backbone interact. energy: 2.387
local terms energy: -300.119581
where:
bonds (distance) C4'-P energy: -82.421
bonds (distance) P-C4' energy: -96.673
flat angles C4'-P-C4' energy: -81.216
flat angles P-C4'-P energy: -56.703
tors. eta vs tors. theta energy: 16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2527.033114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.033114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.033114 (E_RNA)
where:
Base-Base interactions energy: -1794.693
where: short stacking energy: -721.580
Base-Backbone interact. energy: 1.050
local terms energy: -733.390333
where:
bonds (distance) C4'-P energy: -119.757
bonds (distance) P-C4' energy: -116.753
flat angles C4'-P-C4' energy: -156.032
flat angles P-C4'-P energy: -115.047
tors. eta vs tors. theta energy: -225.802
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: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2470.569153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.569153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.569153 (E_RNA)
where:
Base-Base interactions energy: -1761.232
where: short stacking energy: -706.539
Base-Backbone interact. energy: 2.653
local terms energy: -711.990312
where:
bonds (distance) C4'-P energy: -115.250
bonds (distance) P-C4' energy: -132.264
flat angles C4'-P-C4' energy: -148.087
flat angles P-C4'-P energy: -104.511
tors. eta vs tors. theta energy: -211.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2283.988080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.988080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.988080 (E_RNA)
where:
Base-Base interactions energy: -1618.212
where: short stacking energy: -634.609
Base-Backbone interact. energy: -0.245
local terms energy: -665.530683
where:
bonds (distance) C4'-P energy: -125.750
bonds (distance) P-C4' energy: -107.033
flat angles C4'-P-C4' energy: -140.597
flat angles P-C4'-P energy: -88.473
tors. eta vs tors. theta energy: -203.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2225.628651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.628651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.628651 (E_RNA)
where:
Base-Base interactions energy: -1568.236
where: short stacking energy: -621.656
Base-Backbone interact. energy: -1.135
local terms energy: -656.257865
where:
bonds (distance) C4'-P energy: -108.215
bonds (distance) P-C4' energy: -118.341
flat angles C4'-P-C4' energy: -141.351
flat angles P-C4'-P energy: -87.968
tors. eta vs tors. theta energy: -200.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2099.683082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.683082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.683082 (E_RNA)
where:
Base-Base interactions energy: -1464.995
where: short stacking energy: -562.278
Base-Backbone interact. energy: -1.290
local terms energy: -633.398168
where:
bonds (distance) C4'-P energy: -99.838
bonds (distance) P-C4' energy: -120.845
flat angles C4'-P-C4' energy: -137.481
flat angles P-C4'-P energy: -97.719
tors. eta vs tors. theta energy: -177.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2036.964700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.964700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.964700 (E_RNA)
where:
Base-Base interactions energy: -1456.676
where: short stacking energy: -578.607
Base-Backbone interact. energy: 0.124
local terms energy: -580.412864
where:
bonds (distance) C4'-P energy: -97.024
bonds (distance) P-C4' energy: -100.912
flat angles C4'-P-C4' energy: -128.083
flat angles P-C4'-P energy: -81.440
tors. eta vs tors. theta energy: -172.953
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: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1724.515040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.515040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.515040 (E_RNA)
where:
Base-Base interactions energy: -1162.849
where: short stacking energy: -483.445
Base-Backbone interact. energy: -0.061
local terms energy: -561.604951
where:
bonds (distance) C4'-P energy: -120.352
bonds (distance) P-C4' energy: -108.878
flat angles C4'-P-C4' energy: -111.727
flat angles P-C4'-P energy: -84.469
tors. eta vs tors. theta energy: -136.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1374.849741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.849741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.849741 (E_RNA)
where:
Base-Base interactions energy: -909.070
where: short stacking energy: -369.585
Base-Backbone interact. energy: -1.557
local terms energy: -464.223423
where:
bonds (distance) C4'-P energy: -93.649
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -98.592
flat angles P-C4'-P energy: -68.003
tors. eta vs tors. theta energy: -91.265
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: 464
Temperature: 1.300000
Total energy: -893.228666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.228666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.228666 (E_RNA)
where:
Base-Base interactions energy: -524.545
where: short stacking energy: -259.434
Base-Backbone interact. energy: 0.976
local terms energy: -369.660120
where:
bonds (distance) C4'-P energy: -95.773
bonds (distance) P-C4' energy: -99.619
flat angles C4'-P-C4' energy: -80.813
flat angles P-C4'-P energy: -50.556
tors. eta vs tors. theta energy: -42.900
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: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -495.986731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.986731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.986731 (E_RNA)
where:
Base-Base interactions energy: -168.888
where: short stacking energy: -132.020
Base-Backbone interact. energy: 0.268
local terms energy: -327.367350
where:
bonds (distance) C4'-P energy: -93.314
bonds (distance) P-C4' energy: -121.671
flat angles C4'-P-C4' energy: -94.245
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: 20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2537.431057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.431057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.431057 (E_RNA)
where:
Base-Base interactions energy: -1806.382
where: short stacking energy: -729.869
Base-Backbone interact. energy: 9.388
local terms energy: -740.437659
where:
bonds (distance) C4'-P energy: -123.292
bonds (distance) P-C4' energy: -131.547
flat angles C4'-P-C4' energy: -142.053
flat angles P-C4'-P energy: -102.836
tors. eta vs tors. theta energy: -240.710
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: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2427.248042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.248042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.248042 (E_RNA)
where:
Base-Base interactions energy: -1725.197
where: short stacking energy: -671.628
Base-Backbone interact. energy: 0.528
local terms energy: -702.578967
where:
bonds (distance) C4'-P energy: -122.414
bonds (distance) P-C4' energy: -129.573
flat angles C4'-P-C4' energy: -148.631
flat angles P-C4'-P energy: -96.282
tors. eta vs tors. theta energy: -205.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2337.129154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.129154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.129154 (E_RNA)
where:
Base-Base interactions energy: -1650.165
where: short stacking energy: -652.094
Base-Backbone interact. energy: -1.163
local terms energy: -685.801276
where:
bonds (distance) C4'-P energy: -121.868
bonds (distance) P-C4' energy: -122.531
flat angles C4'-P-C4' energy: -139.977
flat angles P-C4'-P energy: -99.481
tors. eta vs tors. theta energy: -201.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2180.192983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.192983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.192983 (E_RNA)
where:
Base-Base interactions energy: -1580.996
where: short stacking energy: -631.229
Base-Backbone interact. energy: -1.942
local terms energy: -597.254910
where:
bonds (distance) C4'-P energy: -94.706
bonds (distance) P-C4' energy: -98.721
flat angles C4'-P-C4' energy: -129.124
flat angles P-C4'-P energy: -90.383
tors. eta vs tors. theta energy: -184.321
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: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2057.912282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.912282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.912282 (E_RNA)
where:
Base-Base interactions energy: -1464.863
where: short stacking energy: -539.560
Base-Backbone interact. energy: -2.865
local terms energy: -590.184642
where:
bonds (distance) C4'-P energy: -97.583
bonds (distance) P-C4' energy: -100.940
flat angles C4'-P-C4' energy: -133.183
flat angles P-C4'-P energy: -87.825
tors. eta vs tors. theta energy: -170.653
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: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1977.372257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.372257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.372257 (E_RNA)
where:
Base-Base interactions energy: -1406.016
where: short stacking energy: -568.971
Base-Backbone interact. energy: -1.383
local terms energy: -569.972831
where:
bonds (distance) C4'-P energy: -101.850
bonds (distance) P-C4' energy: -104.789
flat angles C4'-P-C4' energy: -130.004
flat angles P-C4'-P energy: -67.282
tors. eta vs tors. theta energy: -166.047
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: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1669.462981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.462981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.462981 (E_RNA)
where:
Base-Base interactions energy: -1102.240
where: short stacking energy: -455.567
Base-Backbone interact. energy: -1.282
local terms energy: -565.940722
where:
bonds (distance) C4'-P energy: -122.802
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -123.773
flat angles P-C4'-P energy: -63.232
tors. eta vs tors. theta energy: -132.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1410.614761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.614761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.614761 (E_RNA)
where:
Base-Base interactions energy: -916.157
where: short stacking energy: -381.435
Base-Backbone interact. energy: 2.273
local terms energy: -496.731090
where:
bonds (distance) C4'-P energy: -110.275
bonds (distance) P-C4' energy: -99.675
flat angles C4'-P-C4' energy: -108.478
flat angles P-C4'-P energy: -73.983
tors. eta vs tors. theta energy: -104.320
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: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -855.570198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.570198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.570198 (E_RNA)
where:
Base-Base interactions energy: -443.616
where: short stacking energy: -217.971
Base-Backbone interact. energy: 5.979
local terms energy: -417.933436
where:
bonds (distance) C4'-P energy: -100.556
bonds (distance) P-C4' energy: -111.187
flat angles C4'-P-C4' energy: -93.462
flat angles P-C4'-P energy: -70.842
tors. eta vs tors. theta energy: -41.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -504.017853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.017853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.017853 (E_RNA)
where:
Base-Base interactions energy: -152.211
where: short stacking energy: -133.864
Base-Backbone interact. energy: 0.967
local terms energy: -352.774028
where:
bonds (distance) C4'-P energy: -97.688
bonds (distance) P-C4' energy: -111.406
flat angles C4'-P-C4' energy: -90.294
flat angles P-C4'-P energy: -60.498
tors. eta vs tors. theta energy: 7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2527.730826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.730826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.730826 (E_RNA)
where:
Base-Base interactions energy: -1816.023
where: short stacking energy: -715.347
Base-Backbone interact. energy: -0.990
local terms energy: -710.718375
where:
bonds (distance) C4'-P energy: -121.558
bonds (distance) P-C4' energy: -115.373
flat angles C4'-P-C4' energy: -150.987
flat angles P-C4'-P energy: -94.811
tors. eta vs tors. theta energy: -227.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2447.769843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.769843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.769843 (E_RNA)
where:
Base-Base interactions energy: -1755.437
where: short stacking energy: -672.321
Base-Backbone interact. energy: -1.869
local terms energy: -690.463962
where:
bonds (distance) C4'-P energy: -115.232
bonds (distance) P-C4' energy: -116.713
flat angles C4'-P-C4' energy: -143.339
flat angles P-C4'-P energy: -97.876
tors. eta vs tors. theta energy: -217.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2329.743574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.743574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.743574 (E_RNA)
where:
Base-Base interactions energy: -1658.768
where: short stacking energy: -637.167
Base-Backbone interact. energy: -2.922
local terms energy: -668.053560
where:
bonds (distance) C4'-P energy: -130.656
bonds (distance) P-C4' energy: -118.318
flat angles C4'-P-C4' energy: -136.091
flat angles P-C4'-P energy: -85.512
tors. eta vs tors. theta energy: -197.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2192.370774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.370774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.370774 (E_RNA)
where:
Base-Base interactions energy: -1540.488
where: short stacking energy: -607.429
Base-Backbone interact. energy: -3.586
local terms energy: -648.296191
where:
bonds (distance) C4'-P energy: -110.173
bonds (distance) P-C4' energy: -126.436
flat angles C4'-P-C4' energy: -135.458
flat angles P-C4'-P energy: -89.184
tors. eta vs tors. theta energy: -187.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2050.504123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.504123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.504123 (E_RNA)
where:
Base-Base interactions energy: -1435.655
where: short stacking energy: -566.588
Base-Backbone interact. energy: -4.171
local terms energy: -610.677387
where:
bonds (distance) C4'-P energy: -111.309
bonds (distance) P-C4' energy: -101.700
flat angles C4'-P-C4' energy: -130.821
flat angles P-C4'-P energy: -94.223
tors. eta vs tors. theta energy: -172.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2025.998794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.998794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.998794 (E_RNA)
where:
Base-Base interactions energy: -1439.152
where: short stacking energy: -549.522
Base-Backbone interact. energy: 1.221
local terms energy: -588.067491
where:
bonds (distance) C4'-P energy: -93.378
bonds (distance) P-C4' energy: -115.739
flat angles C4'-P-C4' energy: -130.404
flat angles P-C4'-P energy: -85.659
tors. eta vs tors. theta energy: -162.886
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: 466
Temperature: 1.200000
Total energy: -1697.534015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.534015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.534015 (E_RNA)
where:
Base-Base interactions energy: -1161.559
where: short stacking energy: -478.529
Base-Backbone interact. energy: 3.177
local terms energy: -539.151939
where:
bonds (distance) C4'-P energy: -108.450
bonds (distance) P-C4' energy: -94.667
flat angles C4'-P-C4' energy: -122.489
flat angles P-C4'-P energy: -85.168
tors. eta vs tors. theta energy: -128.377
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: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1428.469260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.469260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.469260 (E_RNA)
where:
Base-Base interactions energy: -908.424
where: short stacking energy: -364.323
Base-Backbone interact. energy: -2.131
local terms energy: -517.914488
where:
bonds (distance) C4'-P energy: -103.677
bonds (distance) P-C4' energy: -123.672
flat angles C4'-P-C4' energy: -121.527
flat angles P-C4'-P energy: -66.434
tors. eta vs tors. theta energy: -102.604
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: 466
Temperature: 1.300000
Total energy: -825.632877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.632877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.632877 (E_RNA)
where:
Base-Base interactions energy: -464.465
where: short stacking energy: -200.467
Base-Backbone interact. energy: -1.946
local terms energy: -359.222323
where:
bonds (distance) C4'-P energy: -114.676
bonds (distance) P-C4' energy: -108.932
flat angles C4'-P-C4' energy: -72.270
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -468.947171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.947171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.947171 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -141.990
Base-Backbone interact. energy: 3.538
local terms energy: -319.378245
where:
bonds (distance) C4'-P energy: -108.454
bonds (distance) P-C4' energy: -103.044
flat angles C4'-P-C4' energy: -72.150
flat angles P-C4'-P energy: -50.184
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: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2525.955724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.955724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.955724 (E_RNA)
where:
Base-Base interactions energy: -1801.869
where: short stacking energy: -716.356
Base-Backbone interact. energy: 0.987
local terms energy: -725.073815
where:
bonds (distance) C4'-P energy: -122.262
bonds (distance) P-C4' energy: -135.413
flat angles C4'-P-C4' energy: -150.245
flat angles P-C4'-P energy: -90.206
tors. eta vs tors. theta energy: -226.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2465.047745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.047745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.047745 (E_RNA)
where:
Base-Base interactions energy: -1773.793
where: short stacking energy: -677.706
Base-Backbone interact. energy: -0.007
local terms energy: -691.248158
where:
bonds (distance) C4'-P energy: -110.137
bonds (distance) P-C4' energy: -120.266
flat angles C4'-P-C4' energy: -145.344
flat angles P-C4'-P energy: -102.146
tors. eta vs tors. theta energy: -213.355
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: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2307.230853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.230853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.230853 (E_RNA)
where:
Base-Base interactions energy: -1623.407
where: short stacking energy: -657.982
Base-Backbone interact. energy: -0.065
local terms energy: -683.759337
where:
bonds (distance) C4'-P energy: -111.224
bonds (distance) P-C4' energy: -131.746
flat angles C4'-P-C4' energy: -152.409
flat angles P-C4'-P energy: -91.961
tors. eta vs tors. theta energy: -196.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2163.763273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.763273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.763273 (E_RNA)
where:
Base-Base interactions energy: -1532.035
where: short stacking energy: -609.133
Base-Backbone interact. energy: -2.649
local terms energy: -629.078715
where:
bonds (distance) C4'-P energy: -109.176
bonds (distance) P-C4' energy: -126.234
flat angles C4'-P-C4' energy: -124.558
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -186.894
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: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2111.853593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.853593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.853593 (E_RNA)
where:
Base-Base interactions energy: -1488.756
where: short stacking energy: -574.197
Base-Backbone interact. energy: -0.506
local terms energy: -622.591614
where:
bonds (distance) C4'-P energy: -111.834
bonds (distance) P-C4' energy: -123.212
flat angles C4'-P-C4' energy: -120.340
flat angles P-C4'-P energy: -88.978
tors. eta vs tors. theta energy: -178.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2043.114556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.114556 (E_RNA)
where:
Base-Base interactions energy: -1456.093
where: short stacking energy: -561.211
Base-Backbone interact. energy: -1.990
local terms energy: -585.031795
where:
bonds (distance) C4'-P energy: -94.248
bonds (distance) P-C4' energy: -102.330
flat angles C4'-P-C4' energy: -127.316
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -176.200
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: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1666.412444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.412444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.412444 (E_RNA)
where:
Base-Base interactions energy: -1141.176
where: short stacking energy: -456.090
Base-Backbone interact. energy: -2.738
local terms energy: -522.498563
where:
bonds (distance) C4'-P energy: -74.037
bonds (distance) P-C4' energy: -126.210
flat angles C4'-P-C4' energy: -105.574
flat angles P-C4'-P energy: -78.610
tors. eta vs tors. theta energy: -138.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1447.618922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.618922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.618922 (E_RNA)
where:
Base-Base interactions energy: -943.459
where: short stacking energy: -392.843
Base-Backbone interact. energy: 0.762
local terms energy: -504.921785
where:
bonds (distance) C4'-P energy: -105.766
bonds (distance) P-C4' energy: -109.684
flat angles C4'-P-C4' energy: -111.411
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -103.478
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: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -853.054303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.054303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.054303 (E_RNA)
where:
Base-Base interactions energy: -464.195
where: short stacking energy: -233.297
Base-Backbone interact. energy: -3.106
local terms energy: -385.753391
where:
bonds (distance) C4'-P energy: -115.261
bonds (distance) P-C4' energy: -95.295
flat angles C4'-P-C4' energy: -99.851
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -440.319216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.319216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.319216 (E_RNA)
where:
Base-Base interactions energy: -134.549
where: short stacking energy: -111.739
Base-Backbone interact. energy: 3.858
local terms energy: -309.628300
where:
bonds (distance) C4'-P energy: -97.158
bonds (distance) P-C4' energy: -120.585
flat angles C4'-P-C4' energy: -97.571
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: 47.891
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: 6
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2535.134730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.134730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.134730 (E_RNA)
where:
Base-Base interactions energy: -1789.127
where: short stacking energy: -704.500
Base-Backbone interact. energy: -0.142
local terms energy: -745.865002
where:
bonds (distance) C4'-P energy: -129.330
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -151.837
flat angles P-C4'-P energy: -100.166
tors. eta vs tors. theta energy: -235.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2467.003906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.003906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.003906 (E_RNA)
where:
Base-Base interactions energy: -1778.457
where: short stacking energy: -697.924
Base-Backbone interact. energy: -1.719
local terms energy: -686.828503
where:
bonds (distance) C4'-P energy: -105.919
bonds (distance) P-C4' energy: -113.685
flat angles C4'-P-C4' energy: -142.240
flat angles P-C4'-P energy: -112.162
tors. eta vs tors. theta energy: -212.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2300.281504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.281504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.281504 (E_RNA)
where:
Base-Base interactions energy: -1634.306
where: short stacking energy: -646.630
Base-Backbone interact. energy: -3.000
local terms energy: -662.976125
where:
bonds (distance) C4'-P energy: -121.581
bonds (distance) P-C4' energy: -96.692
flat angles C4'-P-C4' energy: -144.540
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -204.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2171.836106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.836106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.836106 (E_RNA)
where:
Base-Base interactions energy: -1526.170
where: short stacking energy: -598.220
Base-Backbone interact. energy: -4.165
local terms energy: -641.500382
where:
bonds (distance) C4'-P energy: -116.393
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -136.784
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -193.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2121.834672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.834672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.834672 (E_RNA)
where:
Base-Base interactions energy: -1481.416
where: short stacking energy: -584.812
Base-Backbone interact. energy: -1.673
local terms energy: -638.746317
where:
bonds (distance) C4'-P energy: -115.293
bonds (distance) P-C4' energy: -119.906
flat angles C4'-P-C4' energy: -129.461
flat angles P-C4'-P energy: -90.051
tors. eta vs tors. theta energy: -184.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2073.155214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.155214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.155214 (E_RNA)
where:
Base-Base interactions energy: -1470.257
where: short stacking energy: -570.840
Base-Backbone interact. energy: 6.279
local terms energy: -609.177021
where:
bonds (distance) C4'-P energy: -100.333
bonds (distance) P-C4' energy: -108.902
flat angles C4'-P-C4' energy: -134.091
flat angles P-C4'-P energy: -83.911
tors. eta vs tors. theta energy: -181.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1669.665189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.665189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.665189 (E_RNA)
where:
Base-Base interactions energy: -1151.821
where: short stacking energy: -472.448
Base-Backbone interact. energy: -4.648
local terms energy: -513.196136
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -87.989
flat angles C4'-P-C4' energy: -119.979
flat angles P-C4'-P energy: -79.288
tors. eta vs tors. theta energy: -138.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1393.749299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.749299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.749299 (E_RNA)
where:
Base-Base interactions energy: -935.370
where: short stacking energy: -396.499
Base-Backbone interact. energy: -2.122
local terms energy: -456.257073
where:
bonds (distance) C4'-P energy: -106.539
bonds (distance) P-C4' energy: -111.399
flat angles C4'-P-C4' energy: -97.357
flat angles P-C4'-P energy: -52.399
tors. eta vs tors. theta energy: -88.563
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: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -841.905032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.905032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.905032 (E_RNA)
where:
Base-Base interactions energy: -462.006
where: short stacking energy: -225.578
Base-Backbone interact. energy: -1.149
local terms energy: -378.749334
where:
bonds (distance) C4'-P energy: -100.952
bonds (distance) P-C4' energy: -107.437
flat angles C4'-P-C4' energy: -93.367
flat angles P-C4'-P energy: -55.186
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -454.017121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.017121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.017121 (E_RNA)
where:
Base-Base interactions energy: -137.297
where: short stacking energy: -106.560
Base-Backbone interact. energy: 0.800
local terms energy: -317.520606
where:
bonds (distance) C4'-P energy: -107.458
bonds (distance) P-C4' energy: -101.784
flat angles C4'-P-C4' energy: -88.886
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: 26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2523.354867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.354867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.354867 (E_RNA)
where:
Base-Base interactions energy: -1779.997
where: short stacking energy: -722.669
Base-Backbone interact. energy: -0.189
local terms energy: -743.168187
where:
bonds (distance) C4'-P energy: -121.034
bonds (distance) P-C4' energy: -130.822
flat angles C4'-P-C4' energy: -147.519
flat angles P-C4'-P energy: -109.254
tors. eta vs tors. theta energy: -234.539
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: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2433.528347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.528347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.528347 (E_RNA)
where:
Base-Base interactions energy: -1724.347
where: short stacking energy: -683.741
Base-Backbone interact. energy: -1.438
local terms energy: -707.743708
where:
bonds (distance) C4'-P energy: -110.344
bonds (distance) P-C4' energy: -117.802
flat angles C4'-P-C4' energy: -151.050
flat angles P-C4'-P energy: -110.851
tors. eta vs tors. theta energy: -217.697
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: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2292.880357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.880357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.880357 (E_RNA)
where:
Base-Base interactions energy: -1597.190
where: short stacking energy: -618.851
Base-Backbone interact. energy: -5.920
local terms energy: -689.770511
where:
bonds (distance) C4'-P energy: -126.971
bonds (distance) P-C4' energy: -120.539
flat angles C4'-P-C4' energy: -136.501
flat angles P-C4'-P energy: -98.100
tors. eta vs tors. theta energy: -207.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2200.633871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.633871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.633871 (E_RNA)
where:
Base-Base interactions energy: -1550.337
where: short stacking energy: -621.034
Base-Backbone interact. energy: -3.403
local terms energy: -646.893933
where:
bonds (distance) C4'-P energy: -111.198
bonds (distance) P-C4' energy: -120.698
flat angles C4'-P-C4' energy: -138.218
flat angles P-C4'-P energy: -79.919
tors. eta vs tors. theta energy: -196.860
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: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2129.084399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.084399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.084399 (E_RNA)
where:
Base-Base interactions energy: -1523.742
where: short stacking energy: -597.195
Base-Backbone interact. energy: -2.441
local terms energy: -602.901754
where:
bonds (distance) C4'-P energy: -92.172
bonds (distance) P-C4' energy: -104.568
flat angles C4'-P-C4' energy: -137.242
flat angles P-C4'-P energy: -86.020
tors. eta vs tors. theta energy: -182.898
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: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2048.749891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.749891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.749891 (E_RNA)
where:
Base-Base interactions energy: -1426.985
where: short stacking energy: -551.417
Base-Backbone interact. energy: -3.636
local terms energy: -618.129024
where:
bonds (distance) C4'-P energy: -99.013
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -137.276
flat angles P-C4'-P energy: -93.697
tors. eta vs tors. theta energy: -180.170
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: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1709.519476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.519476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.519476 (E_RNA)
where:
Base-Base interactions energy: -1174.239
where: short stacking energy: -475.558
Base-Backbone interact. energy: -0.460
local terms energy: -534.820580
where:
bonds (distance) C4'-P energy: -107.036
bonds (distance) P-C4' energy: -100.048
flat angles C4'-P-C4' energy: -108.076
flat angles P-C4'-P energy: -76.052
tors. eta vs tors. theta energy: -143.609
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: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1410.947100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.947100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.947100 (E_RNA)
where:
Base-Base interactions energy: -915.749
where: short stacking energy: -400.741
Base-Backbone interact. energy: 3.473
local terms energy: -498.670898
where:
bonds (distance) C4'-P energy: -98.182
bonds (distance) P-C4' energy: -117.098
flat angles C4'-P-C4' energy: -107.576
flat angles P-C4'-P energy: -69.109
tors. eta vs tors. theta energy: -106.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -859.966048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.966048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.966048 (E_RNA)
where:
Base-Base interactions energy: -476.482
where: short stacking energy: -218.893
Base-Backbone interact. energy: 2.734
local terms energy: -386.218426
where:
bonds (distance) C4'-P energy: -107.413
bonds (distance) P-C4' energy: -105.432
flat angles C4'-P-C4' energy: -87.422
flat angles P-C4'-P energy: -56.824
tors. eta vs tors. theta energy: -29.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -475.601147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.601147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.601147 (E_RNA)
where:
Base-Base interactions energy: -160.006
where: short stacking energy: -151.372
Base-Backbone interact. energy: 0.578
local terms energy: -316.172621
where:
bonds (distance) C4'-P energy: -95.736
bonds (distance) P-C4' energy: -111.304
flat angles C4'-P-C4' energy: -77.606
flat angles P-C4'-P energy: -40.479
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: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2534.596032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.596032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.596032 (E_RNA)
where:
Base-Base interactions energy: -1788.941
where: short stacking energy: -713.765
Base-Backbone interact. energy: -1.268
local terms energy: -744.386735
where:
bonds (distance) C4'-P energy: -130.464
bonds (distance) P-C4' energy: -127.040
flat angles C4'-P-C4' energy: -148.980
flat angles P-C4'-P energy: -106.974
tors. eta vs tors. theta energy: -230.929
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: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2436.694290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.694290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.694290 (E_RNA)
where:
Base-Base interactions energy: -1763.515
where: short stacking energy: -699.147
Base-Backbone interact. energy: 3.897
local terms energy: -677.076658
where:
bonds (distance) C4'-P energy: -116.269
bonds (distance) P-C4' energy: -112.270
flat angles C4'-P-C4' energy: -143.584
flat angles P-C4'-P energy: -95.136
tors. eta vs tors. theta energy: -209.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2298.017991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.017991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.017991 (E_RNA)
where:
Base-Base interactions energy: -1624.011
where: short stacking energy: -642.175
Base-Backbone interact. energy: -1.327
local terms energy: -672.679683
where:
bonds (distance) C4'-P energy: -121.978
bonds (distance) P-C4' energy: -117.656
flat angles C4'-P-C4' energy: -144.418
flat angles P-C4'-P energy: -87.187
tors. eta vs tors. theta energy: -201.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2165.104261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.104261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.104261 (E_RNA)
where:
Base-Base interactions energy: -1523.801
where: short stacking energy: -622.782
Base-Backbone interact. energy: -0.950
local terms energy: -640.352834
where:
bonds (distance) C4'-P energy: -114.166
bonds (distance) P-C4' energy: -98.357
flat angles C4'-P-C4' energy: -139.993
flat angles P-C4'-P energy: -98.245
tors. eta vs tors. theta energy: -189.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2100.674351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.674351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.674351 (E_RNA)
where:
Base-Base interactions energy: -1490.665
where: short stacking energy: -597.819
Base-Backbone interact. energy: 1.326
local terms energy: -611.336023
where:
bonds (distance) C4'-P energy: -110.497
bonds (distance) P-C4' energy: -110.288
flat angles C4'-P-C4' energy: -124.724
flat angles P-C4'-P energy: -78.268
tors. eta vs tors. theta energy: -187.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2056.562660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.562660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.562660 (E_RNA)
where:
Base-Base interactions energy: -1452.730
where: short stacking energy: -554.416
Base-Backbone interact. energy: -0.518
local terms energy: -603.315011
where:
bonds (distance) C4'-P energy: -110.984
bonds (distance) P-C4' energy: -111.251
flat angles C4'-P-C4' energy: -127.150
flat angles P-C4'-P energy: -86.618
tors. eta vs tors. theta energy: -167.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1700.038462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.038462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.038462 (E_RNA)
where:
Base-Base interactions energy: -1198.006
where: short stacking energy: -480.024
Base-Backbone interact. energy: -0.283
local terms energy: -501.749257
where:
bonds (distance) C4'-P energy: -83.870
bonds (distance) P-C4' energy: -93.546
flat angles C4'-P-C4' energy: -108.457
flat angles P-C4'-P energy: -85.141
tors. eta vs tors. theta energy: -130.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1372.142785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.142785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.142785 (E_RNA)
where:
Base-Base interactions energy: -865.997
where: short stacking energy: -356.604
Base-Backbone interact. energy: -2.302
local terms energy: -503.842884
where:
bonds (distance) C4'-P energy: -113.972
bonds (distance) P-C4' energy: -111.566
flat angles C4'-P-C4' energy: -122.809
flat angles P-C4'-P energy: -75.506
tors. eta vs tors. theta energy: -79.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -881.407142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.407142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.407142 (E_RNA)
where:
Base-Base interactions energy: -486.106
where: short stacking energy: -236.944
Base-Backbone interact. energy: 3.659
local terms energy: -398.959980
where:
bonds (distance) C4'-P energy: -110.938
bonds (distance) P-C4' energy: -116.253
flat angles C4'-P-C4' energy: -98.993
flat angles P-C4'-P energy: -51.642
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -474.283032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.283032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.283032 (E_RNA)
where:
Base-Base interactions energy: -162.327
where: short stacking energy: -146.395
Base-Backbone interact. energy: -1.976
local terms energy: -309.980505
where:
bonds (distance) C4'-P energy: -99.888
bonds (distance) P-C4' energy: -96.981
flat angles C4'-P-C4' energy: -79.110
flat angles P-C4'-P energy: -56.179
tors. eta vs tors. theta energy: 22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2537.014438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.014438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.014438 (E_RNA)
where:
Base-Base interactions energy: -1804.367
where: short stacking energy: -725.926
Base-Backbone interact. energy: 1.386
local terms energy: -734.033175
where:
bonds (distance) C4'-P energy: -122.318
bonds (distance) P-C4' energy: -120.250
flat angles C4'-P-C4' energy: -146.243
flat angles P-C4'-P energy: -107.970
tors. eta vs tors. theta energy: -237.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2456.429133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.429133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.429133 (E_RNA)
where:
Base-Base interactions energy: -1750.984
where: short stacking energy: -685.958
Base-Backbone interact. energy: -3.727
local terms energy: -701.718279
where:
bonds (distance) C4'-P energy: -126.125
bonds (distance) P-C4' energy: -114.738
flat angles C4'-P-C4' energy: -136.002
flat angles P-C4'-P energy: -101.172
tors. eta vs tors. theta energy: -223.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2260.717298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.717298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.717298 (E_RNA)
where:
Base-Base interactions energy: -1594.090
where: short stacking energy: -634.406
Base-Backbone interact. energy: -3.821
local terms energy: -662.806494
where:
bonds (distance) C4'-P energy: -110.134
bonds (distance) P-C4' energy: -121.445
flat angles C4'-P-C4' energy: -140.754
flat angles P-C4'-P energy: -92.341
tors. eta vs tors. theta energy: -198.132
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: 471
Temperature: 1.050000
Total energy: -2191.258419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.258419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.258419 (E_RNA)
where:
Base-Base interactions energy: -1552.727
where: short stacking energy: -629.562
Base-Backbone interact. energy: -1.520
local terms energy: -637.012029
where:
bonds (distance) C4'-P energy: -115.618
bonds (distance) P-C4' energy: -105.089
flat angles C4'-P-C4' energy: -138.050
flat angles P-C4'-P energy: -91.998
tors. eta vs tors. theta energy: -186.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2118.654330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.654330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.654330 (E_RNA)
where:
Base-Base interactions energy: -1491.456
where: short stacking energy: -588.015
Base-Backbone interact. energy: 4.618
local terms energy: -631.816839
where:
bonds (distance) C4'-P energy: -125.786
bonds (distance) P-C4' energy: -109.527
flat angles C4'-P-C4' energy: -128.800
flat angles P-C4'-P energy: -85.778
tors. eta vs tors. theta energy: -181.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2005.696278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.696278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.696278 (E_RNA)
where:
Base-Base interactions energy: -1410.734
where: short stacking energy: -543.679
Base-Backbone interact. energy: -0.945
local terms energy: -594.017247
where:
bonds (distance) C4'-P energy: -98.792
bonds (distance) P-C4' energy: -119.890
flat angles C4'-P-C4' energy: -128.276
flat angles P-C4'-P energy: -93.140
tors. eta vs tors. theta energy: -153.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1743.045429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.045429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.045429 (E_RNA)
where:
Base-Base interactions energy: -1210.329
where: short stacking energy: -482.526
Base-Backbone interact. energy: -2.465
local terms energy: -530.251456
where:
bonds (distance) C4'-P energy: -94.909
bonds (distance) P-C4' energy: -115.509
flat angles C4'-P-C4' energy: -108.264
flat angles P-C4'-P energy: -76.917
tors. eta vs tors. theta energy: -134.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1402.943187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.943187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.943187 (E_RNA)
where:
Base-Base interactions energy: -914.715
where: short stacking energy: -388.040
Base-Backbone interact. energy: 1.002
local terms energy: -489.230283
where:
bonds (distance) C4'-P energy: -100.055
bonds (distance) P-C4' energy: -90.186
flat angles C4'-P-C4' energy: -116.245
flat angles P-C4'-P energy: -78.934
tors. eta vs tors. theta energy: -103.810
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: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -816.858278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.858278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.858278 (E_RNA)
where:
Base-Base interactions energy: -460.893
where: short stacking energy: -225.571
Base-Backbone interact. energy: 0.990
local terms energy: -356.954722
where:
bonds (distance) C4'-P energy: -73.861
bonds (distance) P-C4' energy: -102.186
flat angles C4'-P-C4' energy: -116.521
flat angles P-C4'-P energy: -44.892
tors. eta vs tors. theta energy: -19.494
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: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -471.621948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.621948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.621948 (E_RNA)
where:
Base-Base interactions energy: -174.871
where: short stacking energy: -155.096
Base-Backbone interact. energy: -1.112
local terms energy: -295.638438
where:
bonds (distance) C4'-P energy: -91.617
bonds (distance) P-C4' energy: -95.386
flat angles C4'-P-C4' energy: -68.961
flat angles P-C4'-P energy: -46.343
tors. eta vs tors. theta energy: 6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2524.930751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.930751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.930751 (E_RNA)
where:
Base-Base interactions energy: -1793.370
where: short stacking energy: -716.694
Base-Backbone interact. energy: -2.204
local terms energy: -729.356877
where:
bonds (distance) C4'-P energy: -122.643
bonds (distance) P-C4' energy: -121.361
flat angles C4'-P-C4' energy: -154.586
flat angles P-C4'-P energy: -93.258
tors. eta vs tors. theta energy: -237.508
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: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2439.986537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.986537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.986537 (E_RNA)
where:
Base-Base interactions energy: -1745.360
where: short stacking energy: -692.715
Base-Backbone interact. energy: -2.352
local terms energy: -692.274603
where:
bonds (distance) C4'-P energy: -111.288
bonds (distance) P-C4' energy: -118.202
flat angles C4'-P-C4' energy: -143.910
flat angles P-C4'-P energy: -101.837
tors. eta vs tors. theta energy: -217.038
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: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2276.176677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.176677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.176677 (E_RNA)
where:
Base-Base interactions energy: -1588.913
where: short stacking energy: -632.484
Base-Backbone interact. energy: -2.158
local terms energy: -685.105998
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -131.865
flat angles C4'-P-C4' energy: -137.880
flat angles P-C4'-P energy: -100.323
tors. eta vs tors. theta energy: -197.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2176.525324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.525324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.525324 (E_RNA)
where:
Base-Base interactions energy: -1572.880
where: short stacking energy: -634.488
Base-Backbone interact. energy: 6.963
local terms energy: -610.608658
where:
bonds (distance) C4'-P energy: -109.232
bonds (distance) P-C4' energy: -95.497
flat angles C4'-P-C4' energy: -126.449
flat angles P-C4'-P energy: -95.603
tors. eta vs tors. theta energy: -183.827
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: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2184.465594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.465594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.465594 (E_RNA)
where:
Base-Base interactions energy: -1531.486
where: short stacking energy: -615.704
Base-Backbone interact. energy: -1.269
local terms energy: -651.709726
where:
bonds (distance) C4'-P energy: -125.558
bonds (distance) P-C4' energy: -114.890
flat angles C4'-P-C4' energy: -130.300
flat angles P-C4'-P energy: -94.143
tors. eta vs tors. theta energy: -186.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2004.765887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.765887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.765887 (E_RNA)
where:
Base-Base interactions energy: -1416.879
where: short stacking energy: -546.370
Base-Backbone interact. energy: 2.821
local terms energy: -590.707453
where:
bonds (distance) C4'-P energy: -103.635
bonds (distance) P-C4' energy: -113.214
flat angles C4'-P-C4' energy: -127.456
flat angles P-C4'-P energy: -83.896
tors. eta vs tors. theta energy: -162.507
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: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1723.706850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.706850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.706850 (E_RNA)
where:
Base-Base interactions energy: -1173.504
where: short stacking energy: -492.326
Base-Backbone interact. energy: -2.845
local terms energy: -547.357461
where:
bonds (distance) C4'-P energy: -102.265
bonds (distance) P-C4' energy: -105.150
flat angles C4'-P-C4' energy: -115.379
flat angles P-C4'-P energy: -79.663
tors. eta vs tors. theta energy: -144.901
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: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1385.030677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.030677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.030677 (E_RNA)
where:
Base-Base interactions energy: -893.255
where: short stacking energy: -391.695
Base-Backbone interact. energy: -1.432
local terms energy: -490.343590
where:
bonds (distance) C4'-P energy: -126.360
bonds (distance) P-C4' energy: -109.389
flat angles C4'-P-C4' energy: -108.358
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: -93.886
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: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -820.952995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.952995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.952995 (E_RNA)
where:
Base-Base interactions energy: -434.961
where: short stacking energy: -213.802
Base-Backbone interact. energy: 2.176
local terms energy: -388.168456
where:
bonds (distance) C4'-P energy: -111.363
bonds (distance) P-C4' energy: -117.185
flat angles C4'-P-C4' energy: -80.047
flat angles P-C4'-P energy: -64.639
tors. eta vs tors. theta energy: -14.935
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: 472
Temperature: 1.350000
Total energy: -455.944040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.944040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.944040 (E_RNA)
where:
Base-Base interactions energy: -151.976
where: short stacking energy: -121.780
Base-Backbone interact. energy: -1.019
local terms energy: -302.949625
where:
bonds (distance) C4'-P energy: -99.281
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -70.720
flat angles P-C4'-P energy: -46.914
tors. eta vs tors. theta energy: 8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2540.502818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.502818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.502818 (E_RNA)
where:
Base-Base interactions energy: -1785.570
where: short stacking energy: -704.152
Base-Backbone interact. energy: -1.508
local terms energy: -753.424942
where:
bonds (distance) C4'-P energy: -135.402
bonds (distance) P-C4' energy: -135.826
flat angles C4'-P-C4' energy: -142.506
flat angles P-C4'-P energy: -110.166
tors. eta vs tors. theta energy: -229.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2463.482327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.482327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.482327 (E_RNA)
where:
Base-Base interactions energy: -1756.276
where: short stacking energy: -691.190
Base-Backbone interact. energy: -2.775
local terms energy: -704.431653
where:
bonds (distance) C4'-P energy: -111.532
bonds (distance) P-C4' energy: -116.102
flat angles C4'-P-C4' energy: -147.886
flat angles P-C4'-P energy: -115.014
tors. eta vs tors. theta energy: -213.898
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: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2271.700856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.700856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.700856 (E_RNA)
where:
Base-Base interactions energy: -1607.007
where: short stacking energy: -635.973
Base-Backbone interact. energy: -1.506
local terms energy: -663.188379
where:
bonds (distance) C4'-P energy: -116.830
bonds (distance) P-C4' energy: -118.706
flat angles C4'-P-C4' energy: -142.775
flat angles P-C4'-P energy: -85.326
tors. eta vs tors. theta energy: -199.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2241.303630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.303630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.303630 (E_RNA)
where:
Base-Base interactions energy: -1597.565
where: short stacking energy: -640.275
Base-Backbone interact. energy: -1.626
local terms energy: -642.112617
where:
bonds (distance) C4'-P energy: -112.049
bonds (distance) P-C4' energy: -122.571
flat angles C4'-P-C4' energy: -131.618
flat angles P-C4'-P energy: -84.265
tors. eta vs tors. theta energy: -191.609
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: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2153.359465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.359465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.359465 (E_RNA)
where:
Base-Base interactions energy: -1511.460
where: short stacking energy: -613.110
Base-Backbone interact. energy: 4.127
local terms energy: -646.025882
where:
bonds (distance) C4'-P energy: -115.321
bonds (distance) P-C4' energy: -119.453
flat angles C4'-P-C4' energy: -133.771
flat angles P-C4'-P energy: -91.905
tors. eta vs tors. theta energy: -185.576
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: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2018.040100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.040100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.040100 (E_RNA)
where:
Base-Base interactions energy: -1443.984
where: short stacking energy: -561.451
Base-Backbone interact. energy: -2.303
local terms energy: -571.752940
where:
bonds (distance) C4'-P energy: -102.139
bonds (distance) P-C4' energy: -110.290
flat angles C4'-P-C4' energy: -117.480
flat angles P-C4'-P energy: -74.903
tors. eta vs tors. theta energy: -166.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1730.093898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.093898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.093898 (E_RNA)
where:
Base-Base interactions energy: -1196.383
where: short stacking energy: -477.507
Base-Backbone interact. energy: -3.206
local terms energy: -530.505262
where:
bonds (distance) C4'-P energy: -85.907
bonds (distance) P-C4' energy: -105.659
flat angles C4'-P-C4' energy: -119.002
flat angles P-C4'-P energy: -70.512
tors. eta vs tors. theta energy: -149.426
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: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1388.309965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.309965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.309965 (E_RNA)
where:
Base-Base interactions energy: -887.605
where: short stacking energy: -381.767
Base-Backbone interact. energy: -2.270
local terms energy: -498.434931
where:
bonds (distance) C4'-P energy: -101.105
bonds (distance) P-C4' energy: -109.234
flat angles C4'-P-C4' energy: -119.317
flat angles P-C4'-P energy: -67.993
tors. eta vs tors. theta energy: -100.785
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: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -830.689523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.689523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.689523 (E_RNA)
where:
Base-Base interactions energy: -441.846
where: short stacking energy: -218.273
Base-Backbone interact. energy: 0.538
local terms energy: -389.380790
where:
bonds (distance) C4'-P energy: -94.560
bonds (distance) P-C4' energy: -109.675
flat angles C4'-P-C4' energy: -84.519
flat angles P-C4'-P energy: -69.026
tors. eta vs tors. theta energy: -31.601
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: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -467.596455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.596455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.596455 (E_RNA)
where:
Base-Base interactions energy: -139.399
where: short stacking energy: -129.201
Base-Backbone interact. energy: 0.867
local terms energy: -329.064360
where:
bonds (distance) C4'-P energy: -102.775
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -84.795
flat angles P-C4'-P energy: -54.126
tors. eta vs tors. theta energy: 21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2529.287920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.287920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.287920 (E_RNA)
where:
Base-Base interactions energy: -1784.215
where: short stacking energy: -714.859
Base-Backbone interact. energy: -1.037
local terms energy: -744.035586
where:
bonds (distance) C4'-P energy: -127.213
bonds (distance) P-C4' energy: -134.967
flat angles C4'-P-C4' energy: -150.290
flat angles P-C4'-P energy: -103.584
tors. eta vs tors. theta energy: -227.982
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: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2499.099207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.099207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.099207 (E_RNA)
where:
Base-Base interactions energy: -1785.111
where: short stacking energy: -715.811
Base-Backbone interact. energy: 1.472
local terms energy: -715.459640
where:
bonds (distance) C4'-P energy: -124.949
bonds (distance) P-C4' energy: -125.708
flat angles C4'-P-C4' energy: -138.480
flat angles P-C4'-P energy: -100.942
tors. eta vs tors. theta energy: -225.381
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: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2298.565694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.565694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.565694 (E_RNA)
where:
Base-Base interactions energy: -1618.249
where: short stacking energy: -637.920
Base-Backbone interact. energy: -1.717
local terms energy: -678.600326
where:
bonds (distance) C4'-P energy: -125.561
bonds (distance) P-C4' energy: -126.487
flat angles C4'-P-C4' energy: -121.853
flat angles P-C4'-P energy: -100.746
tors. eta vs tors. theta energy: -203.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2246.095549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.095549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.095549 (E_RNA)
where:
Base-Base interactions energy: -1623.858
where: short stacking energy: -618.859
Base-Backbone interact. energy: -0.863
local terms energy: -621.374633
where:
bonds (distance) C4'-P energy: -97.854
bonds (distance) P-C4' energy: -106.476
flat angles C4'-P-C4' energy: -140.751
flat angles P-C4'-P energy: -83.045
tors. eta vs tors. theta energy: -193.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2166.310671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.310671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.310671 (E_RNA)
where:
Base-Base interactions energy: -1542.205
where: short stacking energy: -592.308
Base-Backbone interact. energy: -0.544
local terms energy: -623.561869
where:
bonds (distance) C4'-P energy: -110.470
bonds (distance) P-C4' energy: -103.101
flat angles C4'-P-C4' energy: -143.766
flat angles P-C4'-P energy: -84.688
tors. eta vs tors. theta energy: -181.537
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2051.409470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.409470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.409470 (E_RNA)
where:
Base-Base interactions energy: -1425.093
where: short stacking energy: -546.790
Base-Backbone interact. energy: 1.770
local terms energy: -628.086824
where:
bonds (distance) C4'-P energy: -125.386
bonds (distance) P-C4' energy: -113.524
flat angles C4'-P-C4' energy: -138.811
flat angles P-C4'-P energy: -78.280
tors. eta vs tors. theta energy: -172.086
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: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1686.149086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.149086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.149086 (E_RNA)
where:
Base-Base interactions energy: -1161.879
where: short stacking energy: -468.299
Base-Backbone interact. energy: -2.248
local terms energy: -522.022061
where:
bonds (distance) C4'-P energy: -95.719
bonds (distance) P-C4' energy: -109.061
flat angles C4'-P-C4' energy: -114.551
flat angles P-C4'-P energy: -77.632
tors. eta vs tors. theta energy: -125.059
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: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1433.536057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.536057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.536057 (E_RNA)
where:
Base-Base interactions energy: -956.088
where: short stacking energy: -411.818
Base-Backbone interact. energy: 1.815
local terms energy: -479.262303
where:
bonds (distance) C4'-P energy: -97.190
bonds (distance) P-C4' energy: -91.986
flat angles C4'-P-C4' energy: -122.941
flat angles P-C4'-P energy: -67.636
tors. eta vs tors. theta energy: -99.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -816.228266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.228266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.228266 (E_RNA)
where:
Base-Base interactions energy: -431.405
where: short stacking energy: -217.690
Base-Backbone interact. energy: 0.962
local terms energy: -385.785572
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -94.385
flat angles C4'-P-C4' energy: -102.210
flat angles P-C4'-P energy: -82.124
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -458.016681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.016681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.016681 (E_RNA)
where:
Base-Base interactions energy: -151.413
where: short stacking energy: -119.323
Base-Backbone interact. energy: 2.428
local terms energy: -309.031712
where:
bonds (distance) C4'-P energy: -100.478
bonds (distance) P-C4' energy: -120.074
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: 24.028
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: 475
Temperature: 0.900000
Total energy: -2526.707076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.707076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.707076 (E_RNA)
where:
Base-Base interactions energy: -1803.575
where: short stacking energy: -718.319
Base-Backbone interact. energy: 0.157
local terms energy: -723.289077
where:
bonds (distance) C4'-P energy: -115.756
bonds (distance) P-C4' energy: -129.688
flat angles C4'-P-C4' energy: -156.595
flat angles P-C4'-P energy: -99.437
tors. eta vs tors. theta energy: -221.813
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: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2460.060590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.060590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.060590 (E_RNA)
where:
Base-Base interactions energy: -1757.951
where: short stacking energy: -697.430
Base-Backbone interact. energy: -0.135
local terms energy: -701.974110
where:
bonds (distance) C4'-P energy: -126.302
bonds (distance) P-C4' energy: -122.893
flat angles C4'-P-C4' energy: -134.093
flat angles P-C4'-P energy: -104.045
tors. eta vs tors. theta energy: -214.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2286.863287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.863287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.863287 (E_RNA)
where:
Base-Base interactions energy: -1623.401
where: short stacking energy: -618.757
Base-Backbone interact. energy: -2.455
local terms energy: -661.007398
where:
bonds (distance) C4'-P energy: -111.251
bonds (distance) P-C4' energy: -125.653
flat angles C4'-P-C4' energy: -139.638
flat angles P-C4'-P energy: -87.376
tors. eta vs tors. theta energy: -197.090
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: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2218.404695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.404695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.404695 (E_RNA)
where:
Base-Base interactions energy: -1579.187
where: short stacking energy: -603.475
Base-Backbone interact. energy: -2.565
local terms energy: -636.652600
where:
bonds (distance) C4'-P energy: -111.464
bonds (distance) P-C4' energy: -107.371
flat angles C4'-P-C4' energy: -127.248
flat angles P-C4'-P energy: -107.646
tors. eta vs tors. theta energy: -182.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2188.519138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.519138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.519138 (E_RNA)
where:
Base-Base interactions energy: -1580.187
where: short stacking energy: -607.618
Base-Backbone interact. energy: 0.600
local terms energy: -608.932438
where:
bonds (distance) C4'-P energy: -104.736
bonds (distance) P-C4' energy: -98.252
flat angles C4'-P-C4' energy: -128.520
flat angles P-C4'-P energy: -85.648
tors. eta vs tors. theta energy: -191.776
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2046.576713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.576713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.576713 (E_RNA)
where:
Base-Base interactions energy: -1454.806
where: short stacking energy: -580.448
Base-Backbone interact. energy: -2.453
local terms energy: -589.318249
where:
bonds (distance) C4'-P energy: -107.767
bonds (distance) P-C4' energy: -102.649
flat angles C4'-P-C4' energy: -129.417
flat angles P-C4'-P energy: -79.017
tors. eta vs tors. theta energy: -170.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1665.885480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.885480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.885480 (E_RNA)
where:
Base-Base interactions energy: -1107.969
where: short stacking energy: -452.372
Base-Backbone interact. energy: -2.290
local terms energy: -555.626972
where:
bonds (distance) C4'-P energy: -110.142
bonds (distance) P-C4' energy: -121.358
flat angles C4'-P-C4' energy: -120.086
flat angles P-C4'-P energy: -73.802
tors. eta vs tors. theta energy: -130.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1497.229873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.229873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.229873 (E_RNA)
where:
Base-Base interactions energy: -1008.127
where: short stacking energy: -424.526
Base-Backbone interact. energy: -1.288
local terms energy: -487.814223
where:
bonds (distance) C4'-P energy: -105.888
bonds (distance) P-C4' energy: -92.471
flat angles C4'-P-C4' energy: -115.867
flat angles P-C4'-P energy: -63.289
tors. eta vs tors. theta energy: -110.300
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: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -853.383724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.383724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.383724 (E_RNA)
where:
Base-Base interactions energy: -464.100
where: short stacking energy: -234.983
Base-Backbone interact. energy: -3.290
local terms energy: -385.994039
where:
bonds (distance) C4'-P energy: -104.771
bonds (distance) P-C4' energy: -79.874
flat angles C4'-P-C4' energy: -107.987
flat angles P-C4'-P energy: -62.357
tors. eta vs tors. theta energy: -31.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -457.896474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.896474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.896474 (E_RNA)
where:
Base-Base interactions energy: -158.541
where: short stacking energy: -119.952
Base-Backbone interact. energy: -1.693
local terms energy: -297.662106
where:
bonds (distance) C4'-P energy: -91.448
bonds (distance) P-C4' energy: -101.767
flat angles C4'-P-C4' energy: -83.316
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: 23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2544.680660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.680660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.680660 (E_RNA)
where:
Base-Base interactions energy: -1799.947
where: short stacking energy: -719.552
Base-Backbone interact. energy: -1.812
local terms energy: -742.921135
where:
bonds (distance) C4'-P energy: -113.975
bonds (distance) P-C4' energy: -137.579
flat angles C4'-P-C4' energy: -154.994
flat angles P-C4'-P energy: -100.938
tors. eta vs tors. theta energy: -235.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2487.676002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.676002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.676002 (E_RNA)
where:
Base-Base interactions energy: -1765.538
where: short stacking energy: -708.530
Base-Backbone interact. energy: 3.024
local terms energy: -725.161968
where:
bonds (distance) C4'-P energy: -129.541
bonds (distance) P-C4' energy: -130.266
flat angles C4'-P-C4' energy: -145.735
flat angles P-C4'-P energy: -95.567
tors. eta vs tors. theta energy: -224.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2270.759726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.759726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.759726 (E_RNA)
where:
Base-Base interactions energy: -1602.520
where: short stacking energy: -644.983
Base-Backbone interact. energy: 0.724
local terms energy: -668.963623
where:
bonds (distance) C4'-P energy: -120.495
bonds (distance) P-C4' energy: -112.234
flat angles C4'-P-C4' energy: -142.300
flat angles P-C4'-P energy: -92.325
tors. eta vs tors. theta energy: -201.610
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2196.966213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.966213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.966213 (E_RNA)
where:
Base-Base interactions energy: -1547.855
where: short stacking energy: -606.016
Base-Backbone interact. energy: 0.066
local terms energy: -649.177209
where:
bonds (distance) C4'-P energy: -120.497
bonds (distance) P-C4' energy: -108.082
flat angles C4'-P-C4' energy: -136.369
flat angles P-C4'-P energy: -98.537
tors. eta vs tors. theta energy: -185.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2247.781424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.781424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.781424 (E_RNA)
where:
Base-Base interactions energy: -1624.649
where: short stacking energy: -624.599
Base-Backbone interact. energy: -0.693
local terms energy: -622.438727
where:
bonds (distance) C4'-P energy: -92.211
bonds (distance) P-C4' energy: -112.692
flat angles C4'-P-C4' energy: -137.100
flat angles P-C4'-P energy: -89.035
tors. eta vs tors. theta energy: -191.401
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: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2038.215071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.215071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.215071 (E_RNA)
where:
Base-Base interactions energy: -1437.215
where: short stacking energy: -562.537
Base-Backbone interact. energy: -0.996
local terms energy: -600.004196
where:
bonds (distance) C4'-P energy: -111.600
bonds (distance) P-C4' energy: -101.125
flat angles C4'-P-C4' energy: -122.548
flat angles P-C4'-P energy: -87.848
tors. eta vs tors. theta energy: -176.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1645.405732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.405732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.405732 (E_RNA)
where:
Base-Base interactions energy: -1150.664
where: short stacking energy: -451.862
Base-Backbone interact. energy: 0.590
local terms energy: -495.331933
where:
bonds (distance) C4'-P energy: -87.076
bonds (distance) P-C4' energy: -95.506
flat angles C4'-P-C4' energy: -119.697
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -130.297
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: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1471.955523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.955523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.955523 (E_RNA)
where:
Base-Base interactions energy: -951.723
where: short stacking energy: -392.114
Base-Backbone interact. energy: -0.861
local terms energy: -519.371131
where:
bonds (distance) C4'-P energy: -103.104
bonds (distance) P-C4' energy: -105.678
flat angles C4'-P-C4' energy: -119.979
flat angles P-C4'-P energy: -82.875
tors. eta vs tors. theta energy: -107.735
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: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -895.375092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.375092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.375092 (E_RNA)
where:
Base-Base interactions energy: -471.280
where: short stacking energy: -229.133
Base-Backbone interact. energy: -2.063
local terms energy: -422.032447
where:
bonds (distance) C4'-P energy: -118.807
bonds (distance) P-C4' energy: -100.647
flat angles C4'-P-C4' energy: -112.261
flat angles P-C4'-P energy: -66.505
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -476.135839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.135839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.135839 (E_RNA)
where:
Base-Base interactions energy: -140.176
where: short stacking energy: -127.964
Base-Backbone interact. energy: -1.569
local terms energy: -334.391285
where:
bonds (distance) C4'-P energy: -104.582
bonds (distance) P-C4' energy: -117.563
flat angles C4'-P-C4' energy: -97.768
flat angles P-C4'-P energy: -46.156
tors. eta vs tors. theta energy: 31.677
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: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2551.049532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.049532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.049532 (E_RNA)
where:
Base-Base interactions energy: -1805.180
where: short stacking energy: -737.209
Base-Backbone interact. energy: 1.246
local terms energy: -747.115792
where:
bonds (distance) C4'-P energy: -129.483
bonds (distance) P-C4' energy: -118.976
flat angles C4'-P-C4' energy: -152.370
flat angles P-C4'-P energy: -109.489
tors. eta vs tors. theta energy: -236.798
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: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2472.510883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.510883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.510883 (E_RNA)
where:
Base-Base interactions energy: -1767.010
where: short stacking energy: -674.146
Base-Backbone interact. energy: 2.219
local terms energy: -707.719920
where:
bonds (distance) C4'-P energy: -120.934
bonds (distance) P-C4' energy: -112.197
flat angles C4'-P-C4' energy: -145.875
flat angles P-C4'-P energy: -108.734
tors. eta vs tors. theta energy: -219.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2291.642277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.642277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.642277 (E_RNA)
where:
Base-Base interactions energy: -1628.856
where: short stacking energy: -639.818
Base-Backbone interact. energy: -3.302
local terms energy: -659.483570
where:
bonds (distance) C4'-P energy: -122.025
bonds (distance) P-C4' energy: -104.249
flat angles C4'-P-C4' energy: -135.157
flat angles P-C4'-P energy: -91.399
tors. eta vs tors. theta energy: -206.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2273.123895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.123895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.123895 (E_RNA)
where:
Base-Base interactions energy: -1616.403
where: short stacking energy: -631.897
Base-Backbone interact. energy: -0.547
local terms energy: -656.174082
where:
bonds (distance) C4'-P energy: -111.922
bonds (distance) P-C4' energy: -117.214
flat angles C4'-P-C4' energy: -136.509
flat angles P-C4'-P energy: -90.250
tors. eta vs tors. theta energy: -200.279
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: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2158.247930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.247930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.247930 (E_RNA)
where:
Base-Base interactions energy: -1523.657
where: short stacking energy: -609.273
Base-Backbone interact. energy: 0.077
local terms energy: -634.668693
where:
bonds (distance) C4'-P energy: -100.482
bonds (distance) P-C4' energy: -123.143
flat angles C4'-P-C4' energy: -130.241
flat angles P-C4'-P energy: -93.066
tors. eta vs tors. theta energy: -187.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2004.340439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.340439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.340439 (E_RNA)
where:
Base-Base interactions energy: -1386.118
where: short stacking energy: -534.461
Base-Backbone interact. energy: -6.020
local terms energy: -612.203154
where:
bonds (distance) C4'-P energy: -115.710
bonds (distance) P-C4' energy: -123.463
flat angles C4'-P-C4' energy: -134.272
flat angles P-C4'-P energy: -72.556
tors. eta vs tors. theta energy: -166.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1696.492907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.492907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.492907 (E_RNA)
where:
Base-Base interactions energy: -1171.083
where: short stacking energy: -474.626
Base-Backbone interact. energy: -3.426
local terms energy: -521.984628
where:
bonds (distance) C4'-P energy: -102.424
bonds (distance) P-C4' energy: -96.434
flat angles C4'-P-C4' energy: -119.617
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -131.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1479.580525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.580525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.580525 (E_RNA)
where:
Base-Base interactions energy: -964.353
where: short stacking energy: -414.618
Base-Backbone interact. energy: 1.960
local terms energy: -517.186762
where:
bonds (distance) C4'-P energy: -114.023
bonds (distance) P-C4' energy: -99.490
flat angles C4'-P-C4' energy: -112.926
flat angles P-C4'-P energy: -82.751
tors. eta vs tors. theta energy: -107.997
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: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -855.263227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.263227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.263227 (E_RNA)
where:
Base-Base interactions energy: -446.178
where: short stacking energy: -205.279
Base-Backbone interact. energy: -1.584
local terms energy: -407.501579
where:
bonds (distance) C4'-P energy: -115.578
bonds (distance) P-C4' energy: -124.938
flat angles C4'-P-C4' energy: -92.330
flat angles P-C4'-P energy: -58.084
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -447.009411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.009411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.009411 (E_RNA)
where:
Base-Base interactions energy: -109.977
where: short stacking energy: -96.794
Base-Backbone interact. energy: -2.002
local terms energy: -335.030520
where:
bonds (distance) C4'-P energy: -92.530
bonds (distance) P-C4' energy: -118.464
flat angles C4'-P-C4' energy: -89.380
flat angles P-C4'-P energy: -57.547
tors. eta vs tors. theta energy: 22.890
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: 478
Temperature: 0.900000
Total energy: -2537.582017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.582017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.582017 (E_RNA)
where:
Base-Base interactions energy: -1798.233
where: short stacking energy: -719.640
Base-Backbone interact. energy: -1.313
local terms energy: -738.036491
where:
bonds (distance) C4'-P energy: -120.122
bonds (distance) P-C4' energy: -122.901
flat angles C4'-P-C4' energy: -153.865
flat angles P-C4'-P energy: -108.399
tors. eta vs tors. theta energy: -232.749
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: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2463.361833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.361833 (E_RNA)
where:
Base-Base interactions energy: -1760.724
where: short stacking energy: -664.196
Base-Backbone interact. energy: 1.936
local terms energy: -704.573718
where:
bonds (distance) C4'-P energy: -118.568
bonds (distance) P-C4' energy: -120.241
flat angles C4'-P-C4' energy: -147.182
flat angles P-C4'-P energy: -102.035
tors. eta vs tors. theta energy: -216.548
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: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2329.780170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.780170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.780170 (E_RNA)
where:
Base-Base interactions energy: -1659.893
where: short stacking energy: -652.372
Base-Backbone interact. energy: -3.792
local terms energy: -666.096012
where:
bonds (distance) C4'-P energy: -102.642
bonds (distance) P-C4' energy: -122.520
flat angles C4'-P-C4' energy: -133.037
flat angles P-C4'-P energy: -103.553
tors. eta vs tors. theta energy: -204.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2282.363416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.363416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.363416 (E_RNA)
where:
Base-Base interactions energy: -1635.205
where: short stacking energy: -625.146
Base-Backbone interact. energy: -0.652
local terms energy: -646.505571
where:
bonds (distance) C4'-P energy: -112.886
bonds (distance) P-C4' energy: -107.549
flat angles C4'-P-C4' energy: -144.064
flat angles P-C4'-P energy: -76.753
tors. eta vs tors. theta energy: -205.253
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: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2123.035291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.035291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.035291 (E_RNA)
where:
Base-Base interactions energy: -1523.683
where: short stacking energy: -604.599
Base-Backbone interact. energy: -1.820
local terms energy: -597.532417
where:
bonds (distance) C4'-P energy: -109.591
bonds (distance) P-C4' energy: -105.016
flat angles C4'-P-C4' energy: -115.672
flat angles P-C4'-P energy: -83.008
tors. eta vs tors. theta energy: -184.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1997.994143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.994143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.994143 (E_RNA)
where:
Base-Base interactions energy: -1391.287
where: short stacking energy: -561.593
Base-Backbone interact. energy: -1.363
local terms energy: -605.343711
where:
bonds (distance) C4'-P energy: -107.555
bonds (distance) P-C4' energy: -101.123
flat angles C4'-P-C4' energy: -129.956
flat angles P-C4'-P energy: -90.055
tors. eta vs tors. theta energy: -176.656
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: 478
Temperature: 1.200000
Total energy: -1685.327561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.327561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.327561 (E_RNA)
where:
Base-Base interactions energy: -1162.473
where: short stacking energy: -465.303
Base-Backbone interact. energy: 1.017
local terms energy: -523.871344
where:
bonds (distance) C4'-P energy: -78.339
bonds (distance) P-C4' energy: -100.366
flat angles C4'-P-C4' energy: -129.595
flat angles P-C4'-P energy: -77.375
tors. eta vs tors. theta energy: -138.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1431.953991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.953991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.953991 (E_RNA)
where:
Base-Base interactions energy: -937.298
where: short stacking energy: -376.241
Base-Backbone interact. energy: -3.347
local terms energy: -491.309445
where:
bonds (distance) C4'-P energy: -108.604
bonds (distance) P-C4' energy: -97.359
flat angles C4'-P-C4' energy: -109.558
flat angles P-C4'-P energy: -78.711
tors. eta vs tors. theta energy: -97.078
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: 478
Temperature: 1.300000
Total energy: -810.574752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.574752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.574752 (E_RNA)
where:
Base-Base interactions energy: -422.315
where: short stacking energy: -219.249
Base-Backbone interact. energy: -1.054
local terms energy: -387.205925
where:
bonds (distance) C4'-P energy: -92.307
bonds (distance) P-C4' energy: -104.029
flat angles C4'-P-C4' energy: -112.368
flat angles P-C4'-P energy: -62.546
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -456.612528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.612528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.612528 (E_RNA)
where:
Base-Base interactions energy: -139.050
where: short stacking energy: -104.831
Base-Backbone interact. energy: 5.425
local terms energy: -322.987753
where:
bonds (distance) C4'-P energy: -93.458
bonds (distance) P-C4' energy: -111.919
flat angles C4'-P-C4' energy: -93.887
flat angles P-C4'-P energy: -52.516
tors. eta vs tors. theta energy: 28.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2560.321477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.321477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.321477 (E_RNA)
where:
Base-Base interactions energy: -1818.432
where: short stacking energy: -726.327
Base-Backbone interact. energy: -1.214
local terms energy: -740.675157
where:
bonds (distance) C4'-P energy: -113.590
bonds (distance) P-C4' energy: -130.334
flat angles C4'-P-C4' energy: -154.744
flat angles P-C4'-P energy: -101.875
tors. eta vs tors. theta energy: -240.132
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: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2468.951866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.951866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.951866 (E_RNA)
where:
Base-Base interactions energy: -1762.375
where: short stacking energy: -685.741
Base-Backbone interact. energy: 0.300
local terms energy: -706.876156
where:
bonds (distance) C4'-P energy: -116.826
bonds (distance) P-C4' energy: -119.330
flat angles C4'-P-C4' energy: -143.230
flat angles P-C4'-P energy: -104.296
tors. eta vs tors. theta energy: -223.194
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: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2269.336065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.336065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.336065 (E_RNA)
where:
Base-Base interactions energy: -1617.290
where: short stacking energy: -641.100
Base-Backbone interact. energy: -1.565
local terms energy: -650.481289
where:
bonds (distance) C4'-P energy: -104.249
bonds (distance) P-C4' energy: -103.173
flat angles C4'-P-C4' energy: -143.830
flat angles P-C4'-P energy: -101.403
tors. eta vs tors. theta energy: -197.826
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: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2273.389794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.389794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.389794 (E_RNA)
where:
Base-Base interactions energy: -1667.839
where: short stacking energy: -657.516
Base-Backbone interact. energy: 1.263
local terms energy: -606.814269
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -87.604
flat angles C4'-P-C4' energy: -132.376
flat angles P-C4'-P energy: -94.696
tors. eta vs tors. theta energy: -194.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2124.126403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.126403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.126403 (E_RNA)
where:
Base-Base interactions energy: -1528.954
where: short stacking energy: -611.351
Base-Backbone interact. energy: 2.189
local terms energy: -597.361548
where:
bonds (distance) C4'-P energy: -94.208
bonds (distance) P-C4' energy: -105.042
flat angles C4'-P-C4' energy: -122.890
flat angles P-C4'-P energy: -81.684
tors. eta vs tors. theta energy: -193.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2039.800408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.800408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.800408 (E_RNA)
where:
Base-Base interactions energy: -1416.546
where: short stacking energy: -573.226
Base-Backbone interact. energy: -2.562
local terms energy: -620.691703
where:
bonds (distance) C4'-P energy: -114.189
bonds (distance) P-C4' energy: -116.069
flat angles C4'-P-C4' energy: -129.966
flat angles P-C4'-P energy: -85.466
tors. eta vs tors. theta energy: -175.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1710.029049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.029049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.029049 (E_RNA)
where:
Base-Base interactions energy: -1169.230
where: short stacking energy: -471.515
Base-Backbone interact. energy: -1.539
local terms energy: -539.260352
where:
bonds (distance) C4'-P energy: -99.813
bonds (distance) P-C4' energy: -106.612
flat angles C4'-P-C4' energy: -104.822
flat angles P-C4'-P energy: -85.031
tors. eta vs tors. theta energy: -142.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1499.767641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.767641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.767641 (E_RNA)
where:
Base-Base interactions energy: -976.617
where: short stacking energy: -405.532
Base-Backbone interact. energy: -2.024
local terms energy: -521.125923
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -104.469
flat angles C4'-P-C4' energy: -114.819
flat angles P-C4'-P energy: -72.205
tors. eta vs tors. theta energy: -104.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -827.593254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.593254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.593254 (E_RNA)
where:
Base-Base interactions energy: -458.275
where: short stacking energy: -225.540
Base-Backbone interact. energy: 0.821
local terms energy: -370.138880
where:
bonds (distance) C4'-P energy: -103.464
bonds (distance) P-C4' energy: -113.226
flat angles C4'-P-C4' energy: -91.717
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -446.280860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.280860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.280860 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -118.090
Base-Backbone interact. energy: -0.989
local terms energy: -309.135467
where:
bonds (distance) C4'-P energy: -96.628
bonds (distance) P-C4' energy: -93.997
flat angles C4'-P-C4' energy: -76.726
flat angles P-C4'-P energy: -61.673
tors. eta vs tors. theta energy: 19.889
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: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2545.379786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.379786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.379786 (E_RNA)
where:
Base-Base interactions energy: -1799.506
where: short stacking energy: -725.945
Base-Backbone interact. energy: -0.627
local terms energy: -745.246971
where:
bonds (distance) C4'-P energy: -130.721
bonds (distance) P-C4' energy: -116.801
flat angles C4'-P-C4' energy: -156.552
flat angles P-C4'-P energy: -107.934
tors. eta vs tors. theta energy: -233.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2479.520707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.520707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.520707 (E_RNA)
where:
Base-Base interactions energy: -1755.997
where: short stacking energy: -671.907
Base-Backbone interact. energy: 3.555
local terms energy: -727.079013
where:
bonds (distance) C4'-P energy: -127.471
bonds (distance) P-C4' energy: -130.565
flat angles C4'-P-C4' energy: -140.264
flat angles P-C4'-P energy: -108.620
tors. eta vs tors. theta energy: -220.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2315.878942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.878942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.878942 (E_RNA)
where:
Base-Base interactions energy: -1637.098
where: short stacking energy: -648.234
Base-Backbone interact. energy: -1.694
local terms energy: -677.087039
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -128.044
flat angles C4'-P-C4' energy: -136.012
flat angles P-C4'-P energy: -99.161
tors. eta vs tors. theta energy: -207.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2235.712301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.712301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.712301 (E_RNA)
where:
Base-Base interactions energy: -1563.891
where: short stacking energy: -617.910
Base-Backbone interact. energy: -3.971
local terms energy: -667.850031
where:
bonds (distance) C4'-P energy: -119.292
bonds (distance) P-C4' energy: -127.863
flat angles C4'-P-C4' energy: -136.742
flat angles P-C4'-P energy: -88.833
tors. eta vs tors. theta energy: -195.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2160.485953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.485953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.485953 (E_RNA)
where:
Base-Base interactions energy: -1543.040
where: short stacking energy: -603.654
Base-Backbone interact. energy: 1.974
local terms energy: -619.419678
where:
bonds (distance) C4'-P energy: -104.132
bonds (distance) P-C4' energy: -111.153
flat angles C4'-P-C4' energy: -132.251
flat angles P-C4'-P energy: -86.362
tors. eta vs tors. theta energy: -185.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1986.082011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.082011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.082011 (E_RNA)
where:
Base-Base interactions energy: -1385.152
where: short stacking energy: -536.915
Base-Backbone interact. energy: -2.021
local terms energy: -598.908396
where:
bonds (distance) C4'-P energy: -106.491
bonds (distance) P-C4' energy: -125.108
flat angles C4'-P-C4' energy: -131.366
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -163.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1637.567652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.567652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.567652 (E_RNA)
where:
Base-Base interactions energy: -1102.822
where: short stacking energy: -449.278
Base-Backbone interact. energy: -1.094
local terms energy: -533.651475
where:
bonds (distance) C4'-P energy: -109.195
bonds (distance) P-C4' energy: -121.685
flat angles C4'-P-C4' energy: -107.921
flat angles P-C4'-P energy: -72.878
tors. eta vs tors. theta energy: -121.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1616.676893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.676893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.676893 (E_RNA)
where:
Base-Base interactions energy: -1119.414
where: short stacking energy: -456.094
Base-Backbone interact. energy: -1.620
local terms energy: -495.641976
where:
bonds (distance) C4'-P energy: -82.609
bonds (distance) P-C4' energy: -88.864
flat angles C4'-P-C4' energy: -125.128
flat angles P-C4'-P energy: -71.391
tors. eta vs tors. theta energy: -127.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -830.905488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.905488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.905488 (E_RNA)
where:
Base-Base interactions energy: -435.892
where: short stacking energy: -218.854
Base-Backbone interact. energy: 1.871
local terms energy: -396.885082
where:
bonds (distance) C4'-P energy: -99.114
bonds (distance) P-C4' energy: -109.754
flat angles C4'-P-C4' energy: -97.851
flat angles P-C4'-P energy: -58.953
tors. eta vs tors. theta energy: -31.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -452.112983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.112983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.112983 (E_RNA)
where:
Base-Base interactions energy: -119.812
where: short stacking energy: -112.826
Base-Backbone interact. energy: 1.387
local terms energy: -333.687621
where:
bonds (distance) C4'-P energy: -100.144
bonds (distance) P-C4' energy: -119.236
flat angles C4'-P-C4' energy: -105.874
flat angles P-C4'-P energy: -45.805
tors. eta vs tors. theta energy: 37.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2549.521465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.521465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.521465 (E_RNA)
where:
Base-Base interactions energy: -1803.443
where: short stacking energy: -722.452
Base-Backbone interact. energy: -1.624
local terms energy: -744.454752
where:
bonds (distance) C4'-P energy: -123.103
bonds (distance) P-C4' energy: -134.283
flat angles C4'-P-C4' energy: -152.546
flat angles P-C4'-P energy: -100.152
tors. eta vs tors. theta energy: -234.371
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: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2456.123661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.123661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.123661 (E_RNA)
where:
Base-Base interactions energy: -1768.878
where: short stacking energy: -694.734
Base-Backbone interact. energy: 0.393
local terms energy: -687.639312
where:
bonds (distance) C4'-P energy: -121.469
bonds (distance) P-C4' energy: -121.606
flat angles C4'-P-C4' energy: -140.840
flat angles P-C4'-P energy: -87.440
tors. eta vs tors. theta energy: -216.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2362.986418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.986418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.986418 (E_RNA)
where:
Base-Base interactions energy: -1698.357
where: short stacking energy: -651.141
Base-Backbone interact. energy: -1.627
local terms energy: -663.002035
where:
bonds (distance) C4'-P energy: -115.186
bonds (distance) P-C4' energy: -121.984
flat angles C4'-P-C4' energy: -134.680
flat angles P-C4'-P energy: -90.233
tors. eta vs tors. theta energy: -200.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2258.796046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.796046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.796046 (E_RNA)
where:
Base-Base interactions energy: -1627.526
where: short stacking energy: -645.687
Base-Backbone interact. energy: -2.599
local terms energy: -628.671001
where:
bonds (distance) C4'-P energy: -90.661
bonds (distance) P-C4' energy: -114.401
flat angles C4'-P-C4' energy: -132.162
flat angles P-C4'-P energy: -95.199
tors. eta vs tors. theta energy: -196.249
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: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2154.261390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.261390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.261390 (E_RNA)
where:
Base-Base interactions energy: -1522.045
where: short stacking energy: -601.014
Base-Backbone interact. energy: -0.643
local terms energy: -631.572737
where:
bonds (distance) C4'-P energy: -114.914
bonds (distance) P-C4' energy: -118.227
flat angles C4'-P-C4' energy: -131.926
flat angles P-C4'-P energy: -79.551
tors. eta vs tors. theta energy: -186.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2000.286626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.286626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.286626 (E_RNA)
where:
Base-Base interactions energy: -1408.191
where: short stacking energy: -561.965
Base-Backbone interact. energy: -5.590
local terms energy: -586.505760
where:
bonds (distance) C4'-P energy: -97.645
bonds (distance) P-C4' energy: -87.782
flat angles C4'-P-C4' energy: -126.906
flat angles P-C4'-P energy: -101.438
tors. eta vs tors. theta energy: -172.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1672.081926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.081926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.081926 (E_RNA)
where:
Base-Base interactions energy: -1129.469
where: short stacking energy: -434.284
Base-Backbone interact. energy: 3.623
local terms energy: -546.236433
where:
bonds (distance) C4'-P energy: -93.380
bonds (distance) P-C4' energy: -112.735
flat angles C4'-P-C4' energy: -128.810
flat angles P-C4'-P energy: -89.287
tors. eta vs tors. theta energy: -122.025
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: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1545.999226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.999226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.999226 (E_RNA)
where:
Base-Base interactions energy: -1059.069
where: short stacking energy: -434.735
Base-Backbone interact. energy: -1.393
local terms energy: -485.537914
where:
bonds (distance) C4'-P energy: -108.565
bonds (distance) P-C4' energy: -98.447
flat angles C4'-P-C4' energy: -95.695
flat angles P-C4'-P energy: -77.272
tors. eta vs tors. theta energy: -105.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -844.640431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.640431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.640431 (E_RNA)
where:
Base-Base interactions energy: -472.576
where: short stacking energy: -225.657
Base-Backbone interact. energy: -2.469
local terms energy: -369.595976
where:
bonds (distance) C4'-P energy: -95.664
bonds (distance) P-C4' energy: -111.704
flat angles C4'-P-C4' energy: -97.886
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -428.208356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.208356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.208356 (E_RNA)
where:
Base-Base interactions energy: -118.356
where: short stacking energy: -103.451
Base-Backbone interact. energy: 1.495
local terms energy: -311.347070
where:
bonds (distance) C4'-P energy: -107.628
bonds (distance) P-C4' energy: -96.452
flat angles C4'-P-C4' energy: -91.158
flat angles P-C4'-P energy: -53.950
tors. eta vs tors. theta energy: 37.840
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: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2564.198923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.198923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.198923 (E_RNA)
where:
Base-Base interactions energy: -1816.746
where: short stacking energy: -734.511
Base-Backbone interact. energy: -1.665
local terms energy: -745.787821
where:
bonds (distance) C4'-P energy: -128.747
bonds (distance) P-C4' energy: -130.722
flat angles C4'-P-C4' energy: -149.797
flat angles P-C4'-P energy: -100.767
tors. eta vs tors. theta energy: -235.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2448.233134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.233134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.233134 (E_RNA)
where:
Base-Base interactions energy: -1743.797
where: short stacking energy: -701.107
Base-Backbone interact. energy: -0.771
local terms energy: -703.665504
where:
bonds (distance) C4'-P energy: -117.790
bonds (distance) P-C4' energy: -115.448
flat angles C4'-P-C4' energy: -138.344
flat angles P-C4'-P energy: -102.376
tors. eta vs tors. theta energy: -229.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2313.474870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.474870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.474870 (E_RNA)
where:
Base-Base interactions energy: -1669.643
where: short stacking energy: -654.172
Base-Backbone interact. energy: 0.720
local terms energy: -644.552540
where:
bonds (distance) C4'-P energy: -106.734
bonds (distance) P-C4' energy: -121.482
flat angles C4'-P-C4' energy: -141.218
flat angles P-C4'-P energy: -80.964
tors. eta vs tors. theta energy: -194.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2366.252018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.252018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.252018 (E_RNA)
where:
Base-Base interactions energy: -1712.119
where: short stacking energy: -653.825
Base-Backbone interact. energy: -1.265
local terms energy: -652.868708
where:
bonds (distance) C4'-P energy: -96.235
bonds (distance) P-C4' energy: -111.830
flat angles C4'-P-C4' energy: -142.466
flat angles P-C4'-P energy: -95.384
tors. eta vs tors. theta energy: -206.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2128.126071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.126071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.126071 (E_RNA)
where:
Base-Base interactions energy: -1533.032
where: short stacking energy: -598.722
Base-Backbone interact. energy: 8.339
local terms energy: -603.432972
where:
bonds (distance) C4'-P energy: -105.190
bonds (distance) P-C4' energy: -109.905
flat angles C4'-P-C4' energy: -126.559
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -172.655
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: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2030.518430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.518430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.518430 (E_RNA)
where:
Base-Base interactions energy: -1422.303
where: short stacking energy: -583.532
Base-Backbone interact. energy: -3.319
local terms energy: -604.895909
where:
bonds (distance) C4'-P energy: -106.161
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -126.134
flat angles P-C4'-P energy: -90.152
tors. eta vs tors. theta energy: -171.956
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: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1656.567424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.567424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.567424 (E_RNA)
where:
Base-Base interactions energy: -1111.148
where: short stacking energy: -467.754
Base-Backbone interact. energy: 2.533
local terms energy: -547.953132
where:
bonds (distance) C4'-P energy: -85.442
bonds (distance) P-C4' energy: -118.701
flat angles C4'-P-C4' energy: -125.859
flat angles P-C4'-P energy: -88.943
tors. eta vs tors. theta energy: -129.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1577.113122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.113122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.113122 (E_RNA)
where:
Base-Base interactions energy: -1062.166
where: short stacking energy: -430.002
Base-Backbone interact. energy: 1.785
local terms energy: -516.732371
where:
bonds (distance) C4'-P energy: -104.759
bonds (distance) P-C4' energy: -96.219
flat angles C4'-P-C4' energy: -122.066
flat angles P-C4'-P energy: -70.772
tors. eta vs tors. theta energy: -122.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -887.057900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.057900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.057900 (E_RNA)
where:
Base-Base interactions energy: -466.002
where: short stacking energy: -255.555
Base-Backbone interact. energy: -0.246
local terms energy: -420.810419
where:
bonds (distance) C4'-P energy: -105.392
bonds (distance) P-C4' energy: -103.959
flat angles C4'-P-C4' energy: -101.951
flat angles P-C4'-P energy: -60.616
tors. eta vs tors. theta energy: -48.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -425.500916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.500916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.500916 (E_RNA)
where:
Base-Base interactions energy: -118.171
where: short stacking energy: -114.112
Base-Backbone interact. energy: 5.508
local terms energy: -312.837868
where:
bonds (distance) C4'-P energy: -95.208
bonds (distance) P-C4' energy: -119.290
flat angles C4'-P-C4' energy: -75.860
flat angles P-C4'-P energy: -49.239
tors. eta vs tors. theta energy: 26.759
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: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2545.909614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.909614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.909614 (E_RNA)
where:
Base-Base interactions energy: -1834.811
where: short stacking energy: -730.327
Base-Backbone interact. energy: -0.342
local terms energy: -710.756668
where:
bonds (distance) C4'-P energy: -108.066
bonds (distance) P-C4' energy: -132.921
flat angles C4'-P-C4' energy: -145.495
flat angles P-C4'-P energy: -88.344
tors. eta vs tors. theta energy: -235.931
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: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2454.222030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.222030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.222030 (E_RNA)
where:
Base-Base interactions energy: -1743.661
where: short stacking energy: -667.966
Base-Backbone interact. energy: -2.427
local terms energy: -708.133483
where:
bonds (distance) C4'-P energy: -123.731
bonds (distance) P-C4' energy: -124.019
flat angles C4'-P-C4' energy: -146.906
flat angles P-C4'-P energy: -95.349
tors. eta vs tors. theta energy: -218.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2330.759189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.759189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.759189 (E_RNA)
where:
Base-Base interactions energy: -1671.245
where: short stacking energy: -643.210
Base-Backbone interact. energy: 0.677
local terms energy: -660.191260
where:
bonds (distance) C4'-P energy: -110.246
bonds (distance) P-C4' energy: -112.710
flat angles C4'-P-C4' energy: -138.282
flat angles P-C4'-P energy: -102.958
tors. eta vs tors. theta energy: -195.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2371.659271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.659271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.659271 (E_RNA)
where:
Base-Base interactions energy: -1710.734
where: short stacking energy: -673.158
Base-Backbone interact. energy: -1.172
local terms energy: -659.753079
where:
bonds (distance) C4'-P energy: -113.263
bonds (distance) P-C4' energy: -110.591
flat angles C4'-P-C4' energy: -143.326
flat angles P-C4'-P energy: -88.373
tors. eta vs tors. theta energy: -204.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2156.097281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.097281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.097281 (E_RNA)
where:
Base-Base interactions energy: -1535.271
where: short stacking energy: -594.338
Base-Backbone interact. energy: -1.682
local terms energy: -619.144261
where:
bonds (distance) C4'-P energy: -114.077
bonds (distance) P-C4' energy: -102.534
flat angles C4'-P-C4' energy: -130.186
flat angles P-C4'-P energy: -93.348
tors. eta vs tors. theta energy: -178.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1954.007454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.007454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.007454 (E_RNA)
where:
Base-Base interactions energy: -1361.319
where: short stacking energy: -520.477
Base-Backbone interact. energy: 2.736
local terms energy: -595.423769
where:
bonds (distance) C4'-P energy: -109.541
bonds (distance) P-C4' energy: -106.110
flat angles C4'-P-C4' energy: -129.917
flat angles P-C4'-P energy: -88.159
tors. eta vs tors. theta energy: -161.697
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: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1543.966371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.966371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.966371 (E_RNA)
where:
Base-Base interactions energy: -1051.936
where: short stacking energy: -427.652
Base-Backbone interact. energy: -0.260
local terms energy: -491.770600
where:
bonds (distance) C4'-P energy: -102.383
bonds (distance) P-C4' energy: -112.332
flat angles C4'-P-C4' energy: -102.976
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -113.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1570.307403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.307403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.307403 (E_RNA)
where:
Base-Base interactions energy: -1040.415
where: short stacking energy: -435.334
Base-Backbone interact. energy: 0.047
local terms energy: -529.939556
where:
bonds (distance) C4'-P energy: -83.585
bonds (distance) P-C4' energy: -114.199
flat angles C4'-P-C4' energy: -116.936
flat angles P-C4'-P energy: -93.817
tors. eta vs tors. theta energy: -121.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -893.597800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.597800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.597800 (E_RNA)
where:
Base-Base interactions energy: -477.405
where: short stacking energy: -234.732
Base-Backbone interact. energy: -0.881
local terms energy: -415.311421
where:
bonds (distance) C4'-P energy: -101.989
bonds (distance) P-C4' energy: -119.042
flat angles C4'-P-C4' energy: -81.831
flat angles P-C4'-P energy: -66.078
tors. eta vs tors. theta energy: -46.371
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: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -449.287365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.287365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.287365 (E_RNA)
where:
Base-Base interactions energy: -137.603
where: short stacking energy: -124.362
Base-Backbone interact. energy: -3.568
local terms energy: -308.116484
where:
bonds (distance) C4'-P energy: -102.405
bonds (distance) P-C4' energy: -92.804
flat angles C4'-P-C4' energy: -80.083
flat angles P-C4'-P energy: -53.780
tors. eta vs tors. theta energy: 20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2592.694072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.694072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.694072 (E_RNA)
where:
Base-Base interactions energy: -1827.979
where: short stacking energy: -729.283
Base-Backbone interact. energy: -1.937
local terms energy: -762.778138
where:
bonds (distance) C4'-P energy: -129.151
bonds (distance) P-C4' energy: -124.025
flat angles C4'-P-C4' energy: -154.163
flat angles P-C4'-P energy: -114.015
tors. eta vs tors. theta energy: -241.424
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: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2469.610849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.610849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.610849 (E_RNA)
where:
Base-Base interactions energy: -1764.054
where: short stacking energy: -690.423
Base-Backbone interact. energy: -1.821
local terms energy: -703.736434
where:
bonds (distance) C4'-P energy: -124.665
bonds (distance) P-C4' energy: -120.172
flat angles C4'-P-C4' energy: -147.613
flat angles P-C4'-P energy: -92.479
tors. eta vs tors. theta energy: -218.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2432.694996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.694996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.694996 (E_RNA)
where:
Base-Base interactions energy: -1750.551
where: short stacking energy: -659.033
Base-Backbone interact. energy: -1.055
local terms energy: -681.088964
where:
bonds (distance) C4'-P energy: -109.286
bonds (distance) P-C4' energy: -126.918
flat angles C4'-P-C4' energy: -140.273
flat angles P-C4'-P energy: -107.570
tors. eta vs tors. theta energy: -197.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2273.639211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.639211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.639211 (E_RNA)
where:
Base-Base interactions energy: -1627.370
where: short stacking energy: -631.867
Base-Backbone interact. energy: -2.324
local terms energy: -643.944980
where:
bonds (distance) C4'-P energy: -117.061
bonds (distance) P-C4' energy: -91.985
flat angles C4'-P-C4' energy: -133.800
flat angles P-C4'-P energy: -96.465
tors. eta vs tors. theta energy: -204.633
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: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2110.553884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.553884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.553884 (E_RNA)
where:
Base-Base interactions energy: -1521.144
where: short stacking energy: -592.533
Base-Backbone interact. energy: 0.408
local terms energy: -589.818479
where:
bonds (distance) C4'-P energy: -103.142
bonds (distance) P-C4' energy: -106.692
flat angles C4'-P-C4' energy: -122.587
flat angles P-C4'-P energy: -98.231
tors. eta vs tors. theta energy: -159.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1980.445315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.445315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.445315 (E_RNA)
where:
Base-Base interactions energy: -1405.732
where: short stacking energy: -553.696
Base-Backbone interact. energy: 8.335
local terms energy: -583.048037
where:
bonds (distance) C4'-P energy: -108.367
bonds (distance) P-C4' energy: -97.799
flat angles C4'-P-C4' energy: -130.942
flat angles P-C4'-P energy: -81.683
tors. eta vs tors. theta energy: -164.257
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: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1638.325114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.325114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.325114 (E_RNA)
where:
Base-Base interactions energy: -1107.599
where: short stacking energy: -449.324
Base-Backbone interact. energy: -1.380
local terms energy: -529.345964
where:
bonds (distance) C4'-P energy: -104.775
bonds (distance) P-C4' energy: -119.659
flat angles C4'-P-C4' energy: -108.558
flat angles P-C4'-P energy: -82.592
tors. eta vs tors. theta energy: -113.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1599.104572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.104572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.104572 (E_RNA)
where:
Base-Base interactions energy: -1077.778
where: short stacking energy: -446.367
Base-Backbone interact. energy: -2.522
local terms energy: -518.804228
where:
bonds (distance) C4'-P energy: -108.858
bonds (distance) P-C4' energy: -106.076
flat angles C4'-P-C4' energy: -124.125
flat angles P-C4'-P energy: -60.267
tors. eta vs tors. theta energy: -119.478
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: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -857.941023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.941023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.941023 (E_RNA)
where:
Base-Base interactions energy: -470.733
where: short stacking energy: -229.485
Base-Backbone interact. energy: 1.587
local terms energy: -388.795679
where:
bonds (distance) C4'-P energy: -104.329
bonds (distance) P-C4' energy: -94.557
flat angles C4'-P-C4' energy: -102.143
flat angles P-C4'-P energy: -60.082
tors. eta vs tors. theta energy: -27.685
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: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -448.614168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.614168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.614168 (E_RNA)
where:
Base-Base interactions energy: -119.564
where: short stacking energy: -101.519
Base-Backbone interact. energy: 4.866
local terms energy: -333.916347
where:
bonds (distance) C4'-P energy: -106.064
bonds (distance) P-C4' energy: -106.551
flat angles C4'-P-C4' energy: -93.064
flat angles P-C4'-P energy: -50.334
tors. eta vs tors. theta energy: 22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2588.037278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.037278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.037278 (E_RNA)
where:
Base-Base interactions energy: -1844.406
where: short stacking energy: -741.468
Base-Backbone interact. energy: 1.678
local terms energy: -745.309362
where:
bonds (distance) C4'-P energy: -122.019
bonds (distance) P-C4' energy: -123.401
flat angles C4'-P-C4' energy: -166.201
flat angles P-C4'-P energy: -93.240
tors. eta vs tors. theta energy: -240.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2448.444120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.444120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.444120 (E_RNA)
where:
Base-Base interactions energy: -1726.016
where: short stacking energy: -671.430
Base-Backbone interact. energy: -0.209
local terms energy: -722.219770
where:
bonds (distance) C4'-P energy: -124.934
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -139.191
flat angles P-C4'-P energy: -113.107
tors. eta vs tors. theta energy: -223.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2486.024840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.024840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.024840 (E_RNA)
where:
Base-Base interactions energy: -1809.482
where: short stacking energy: -682.311
Base-Backbone interact. energy: 1.262
local terms energy: -677.804626
where:
bonds (distance) C4'-P energy: -103.931
bonds (distance) P-C4' energy: -105.776
flat angles C4'-P-C4' energy: -145.372
flat angles P-C4'-P energy: -105.087
tors. eta vs tors. theta energy: -217.639
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: 485
Temperature: 1.050000
Total energy: -2289.409536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.409536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.409536 (E_RNA)
where:
Base-Base interactions energy: -1630.194
where: short stacking energy: -655.789
Base-Backbone interact. energy: -4.465
local terms energy: -654.750615
where:
bonds (distance) C4'-P energy: -104.275
bonds (distance) P-C4' energy: -105.955
flat angles C4'-P-C4' energy: -147.392
flat angles P-C4'-P energy: -91.836
tors. eta vs tors. theta energy: -205.293
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: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2121.545590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.545590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.545590 (E_RNA)
where:
Base-Base interactions energy: -1488.685
where: short stacking energy: -598.005
Base-Backbone interact. energy: 3.507
local terms energy: -636.367560
where:
bonds (distance) C4'-P energy: -114.553
bonds (distance) P-C4' energy: -106.977
flat angles C4'-P-C4' energy: -136.967
flat angles P-C4'-P energy: -94.260
tors. eta vs tors. theta energy: -183.611
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: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1972.565022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.565022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.565022 (E_RNA)
where:
Base-Base interactions energy: -1371.417
where: short stacking energy: -556.043
Base-Backbone interact. energy: 0.038
local terms energy: -601.185881
where:
bonds (distance) C4'-P energy: -108.825
bonds (distance) P-C4' energy: -124.576
flat angles C4'-P-C4' energy: -126.595
flat angles P-C4'-P energy: -74.736
tors. eta vs tors. theta energy: -166.453
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: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1650.882176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.882176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.882176 (E_RNA)
where:
Base-Base interactions energy: -1128.726
where: short stacking energy: -475.434
Base-Backbone interact. energy: -2.828
local terms energy: -519.327804
where:
bonds (distance) C4'-P energy: -113.372
bonds (distance) P-C4' energy: -87.468
flat angles C4'-P-C4' energy: -124.199
flat angles P-C4'-P energy: -70.411
tors. eta vs tors. theta energy: -123.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1588.445470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.445470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.445470 (E_RNA)
where:
Base-Base interactions energy: -1094.925
where: short stacking energy: -458.122
Base-Backbone interact. energy: -4.162
local terms energy: -489.357923
where:
bonds (distance) C4'-P energy: -59.442
bonds (distance) P-C4' energy: -105.647
flat angles C4'-P-C4' energy: -117.275
flat angles P-C4'-P energy: -73.691
tors. eta vs tors. theta energy: -133.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -836.320941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.320941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.320941 (E_RNA)
where:
Base-Base interactions energy: -461.853
where: short stacking energy: -231.500
Base-Backbone interact. energy: 0.848
local terms energy: -375.316506
where:
bonds (distance) C4'-P energy: -106.273
bonds (distance) P-C4' energy: -104.286
flat angles C4'-P-C4' energy: -98.107
flat angles P-C4'-P energy: -37.119
tors. eta vs tors. theta energy: -29.532
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: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -437.459104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.459104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.459104 (E_RNA)
where:
Base-Base interactions energy: -122.008
where: short stacking energy: -106.048
Base-Backbone interact. energy: 0.832
local terms energy: -316.282955
where:
bonds (distance) C4'-P energy: -84.999
bonds (distance) P-C4' energy: -100.237
flat angles C4'-P-C4' energy: -99.958
flat angles P-C4'-P energy: -50.863
tors. eta vs tors. theta energy: 19.774
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: 486
Temperature: 0.900000
Total energy: -2568.334892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.334892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.334892 (E_RNA)
where:
Base-Base interactions energy: -1838.956
where: short stacking energy: -735.772
Base-Backbone interact. energy: -1.598
local terms energy: -727.780731
where:
bonds (distance) C4'-P energy: -125.737
bonds (distance) P-C4' energy: -117.051
flat angles C4'-P-C4' energy: -156.731
flat angles P-C4'-P energy: -94.180
tors. eta vs tors. theta energy: -234.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2467.255862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.255862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.255862 (E_RNA)
where:
Base-Base interactions energy: -1739.057
where: short stacking energy: -673.459
Base-Backbone interact. energy: 0.566
local terms energy: -728.764694
where:
bonds (distance) C4'-P energy: -127.703
bonds (distance) P-C4' energy: -130.174
flat angles C4'-P-C4' energy: -150.249
flat angles P-C4'-P energy: -108.862
tors. eta vs tors. theta energy: -211.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2494.991778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.991778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.991778 (E_RNA)
where:
Base-Base interactions energy: -1798.406
where: short stacking energy: -677.223
Base-Backbone interact. energy: -1.912
local terms energy: -694.674084
where:
bonds (distance) C4'-P energy: -117.058
bonds (distance) P-C4' energy: -107.513
flat angles C4'-P-C4' energy: -148.692
flat angles P-C4'-P energy: -104.763
tors. eta vs tors. theta energy: -216.649
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: 486
Temperature: 1.050000
Total energy: -2231.724608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.724608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.724608 (E_RNA)
where:
Base-Base interactions energy: -1568.358
where: short stacking energy: -599.842
Base-Backbone interact. energy: -1.099
local terms energy: -662.267634
where:
bonds (distance) C4'-P energy: -123.855
bonds (distance) P-C4' energy: -117.107
flat angles C4'-P-C4' energy: -137.369
flat angles P-C4'-P energy: -95.994
tors. eta vs tors. theta energy: -187.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2096.154059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.154059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.154059 (E_RNA)
where:
Base-Base interactions energy: -1487.874
where: short stacking energy: -597.423
Base-Backbone interact. energy: 3.091
local terms energy: -611.371011
where:
bonds (distance) C4'-P energy: -96.013
bonds (distance) P-C4' energy: -104.936
flat angles C4'-P-C4' energy: -129.850
flat angles P-C4'-P energy: -93.992
tors. eta vs tors. theta energy: -186.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2007.300341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.300341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.300341 (E_RNA)
where:
Base-Base interactions energy: -1398.825
where: short stacking energy: -540.126
Base-Backbone interact. energy: -1.726
local terms energy: -606.749556
where:
bonds (distance) C4'-P energy: -118.560
bonds (distance) P-C4' energy: -100.162
flat angles C4'-P-C4' energy: -123.393
flat angles P-C4'-P energy: -87.326
tors. eta vs tors. theta energy: -177.309
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: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1693.846996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.846996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.846996 (E_RNA)
where:
Base-Base interactions energy: -1123.161
where: short stacking energy: -470.908
Base-Backbone interact. energy: 2.295
local terms energy: -572.981219
where:
bonds (distance) C4'-P energy: -105.803
bonds (distance) P-C4' energy: -129.265
flat angles C4'-P-C4' energy: -124.289
flat angles P-C4'-P energy: -68.709
tors. eta vs tors. theta energy: -144.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1599.116443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.116443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.116443 (E_RNA)
where:
Base-Base interactions energy: -1085.575
where: short stacking energy: -441.324
Base-Backbone interact. energy: 1.271
local terms energy: -514.811939
where:
bonds (distance) C4'-P energy: -91.932
bonds (distance) P-C4' energy: -119.516
flat angles C4'-P-C4' energy: -107.074
flat angles P-C4'-P energy: -64.743
tors. eta vs tors. theta energy: -131.546
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: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -827.939792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.939792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.939792 (E_RNA)
where:
Base-Base interactions energy: -441.157
where: short stacking energy: -217.767
Base-Backbone interact. energy: 0.564
local terms energy: -387.346196
where:
bonds (distance) C4'-P energy: -90.887
bonds (distance) P-C4' energy: -107.423
flat angles C4'-P-C4' energy: -103.764
flat angles P-C4'-P energy: -61.956
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -461.201866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.201866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.201866 (E_RNA)
where:
Base-Base interactions energy: -132.276
where: short stacking energy: -119.491
Base-Backbone interact. energy: -2.212
local terms energy: -326.713781
where:
bonds (distance) C4'-P energy: -102.879
bonds (distance) P-C4' energy: -80.852
flat angles C4'-P-C4' energy: -106.982
flat angles P-C4'-P energy: -46.243
tors. eta vs tors. theta energy: 10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2561.489902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.489902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.489902 (E_RNA)
where:
Base-Base interactions energy: -1821.943
where: short stacking energy: -729.625
Base-Backbone interact. energy: -0.877
local terms energy: -738.669473
where:
bonds (distance) C4'-P energy: -118.478
bonds (distance) P-C4' energy: -132.784
flat angles C4'-P-C4' energy: -160.304
flat angles P-C4'-P energy: -87.970
tors. eta vs tors. theta energy: -239.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2532.540933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.540933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.540933 (E_RNA)
where:
Base-Base interactions energy: -1828.537
where: short stacking energy: -708.332
Base-Backbone interact. energy: 1.389
local terms energy: -705.393555
where:
bonds (distance) C4'-P energy: -120.348
bonds (distance) P-C4' energy: -107.089
flat angles C4'-P-C4' energy: -145.836
flat angles P-C4'-P energy: -114.382
tors. eta vs tors. theta energy: -217.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2416.820168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.820168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.820168 (E_RNA)
where:
Base-Base interactions energy: -1699.939
where: short stacking energy: -652.192
Base-Backbone interact. energy: 4.234
local terms energy: -721.115594
where:
bonds (distance) C4'-P energy: -117.467
bonds (distance) P-C4' energy: -127.333
flat angles C4'-P-C4' energy: -148.314
flat angles P-C4'-P energy: -102.718
tors. eta vs tors. theta energy: -225.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2222.123465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.123465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.123465 (E_RNA)
where:
Base-Base interactions energy: -1565.478
where: short stacking energy: -631.845
Base-Backbone interact. energy: -7.251
local terms energy: -649.393991
where:
bonds (distance) C4'-P energy: -98.649
bonds (distance) P-C4' energy: -118.451
flat angles C4'-P-C4' energy: -148.019
flat angles P-C4'-P energy: -91.857
tors. eta vs tors. theta energy: -192.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2126.313833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.313833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.313833 (E_RNA)
where:
Base-Base interactions energy: -1500.854
where: short stacking energy: -592.845
Base-Backbone interact. energy: -0.054
local terms energy: -625.405730
where:
bonds (distance) C4'-P energy: -111.839
bonds (distance) P-C4' energy: -119.814
flat angles C4'-P-C4' energy: -135.599
flat angles P-C4'-P energy: -77.504
tors. eta vs tors. theta energy: -180.650
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: 487
Temperature: 1.150000
Total energy: -2054.999937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.999937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.999937 (E_RNA)
where:
Base-Base interactions energy: -1453.437
where: short stacking energy: -574.654
Base-Backbone interact. energy: -1.332
local terms energy: -600.231263
where:
bonds (distance) C4'-P energy: -98.925
bonds (distance) P-C4' energy: -107.539
flat angles C4'-P-C4' energy: -130.742
flat angles P-C4'-P energy: -83.425
tors. eta vs tors. theta energy: -179.601
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: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1621.177798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.177798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.177798 (E_RNA)
where:
Base-Base interactions energy: -1118.845
where: short stacking energy: -457.151
Base-Backbone interact. energy: -1.743
local terms energy: -500.589798
where:
bonds (distance) C4'-P energy: -104.323
bonds (distance) P-C4' energy: -105.135
flat angles C4'-P-C4' energy: -111.755
flat angles P-C4'-P energy: -64.124
tors. eta vs tors. theta energy: -115.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1615.307082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.307082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.307082 (E_RNA)
where:
Base-Base interactions energy: -1092.764
where: short stacking energy: -436.058
Base-Backbone interact. energy: 5.227
local terms energy: -527.770314
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -112.286
flat angles C4'-P-C4' energy: -117.512
flat angles P-C4'-P energy: -59.637
tors. eta vs tors. theta energy: -127.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -894.355938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.355938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.355938 (E_RNA)
where:
Base-Base interactions energy: -491.677
where: short stacking energy: -247.852
Base-Backbone interact. energy: 3.249
local terms energy: -405.927557
where:
bonds (distance) C4'-P energy: -84.211
bonds (distance) P-C4' energy: -121.749
flat angles C4'-P-C4' energy: -109.346
flat angles P-C4'-P energy: -60.538
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -439.912003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.912003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.912003 (E_RNA)
where:
Base-Base interactions energy: -159.548
where: short stacking energy: -141.418
Base-Backbone interact. energy: 2.925
local terms energy: -283.289363
where:
bonds (distance) C4'-P energy: -96.772
bonds (distance) P-C4' energy: -91.993
flat angles C4'-P-C4' energy: -74.335
flat angles P-C4'-P energy: -45.769
tors. eta vs tors. theta energy: 25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2569.453273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.453273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.453273 (E_RNA)
where:
Base-Base interactions energy: -1848.867
where: short stacking energy: -714.754
Base-Backbone interact. energy: 0.469
local terms energy: -721.055734
where:
bonds (distance) C4'-P energy: -118.254
bonds (distance) P-C4' energy: -129.005
flat angles C4'-P-C4' energy: -146.199
flat angles P-C4'-P energy: -110.844
tors. eta vs tors. theta energy: -216.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2537.935249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.935249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.935249 (E_RNA)
where:
Base-Base interactions energy: -1805.100
where: short stacking energy: -715.325
Base-Backbone interact. energy: -1.969
local terms energy: -730.866230
where:
bonds (distance) C4'-P energy: -123.933
bonds (distance) P-C4' energy: -126.656
flat angles C4'-P-C4' energy: -145.894
flat angles P-C4'-P energy: -103.310
tors. eta vs tors. theta energy: -231.074
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: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2385.877127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.877127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.877127 (E_RNA)
where:
Base-Base interactions energy: -1693.072
where: short stacking energy: -646.732
Base-Backbone interact. energy: -1.365
local terms energy: -691.439727
where:
bonds (distance) C4'-P energy: -123.855
bonds (distance) P-C4' energy: -126.938
flat angles C4'-P-C4' energy: -129.886
flat angles P-C4'-P energy: -97.761
tors. eta vs tors. theta energy: -212.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2194.091379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.091379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.091379 (E_RNA)
where:
Base-Base interactions energy: -1552.481
where: short stacking energy: -625.945
Base-Backbone interact. energy: -1.334
local terms energy: -640.276412
where:
bonds (distance) C4'-P energy: -105.876
bonds (distance) P-C4' energy: -113.345
flat angles C4'-P-C4' energy: -133.898
flat angles P-C4'-P energy: -90.360
tors. eta vs tors. theta energy: -196.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2130.256859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.256859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.256859 (E_RNA)
where:
Base-Base interactions energy: -1508.197
where: short stacking energy: -607.769
Base-Backbone interact. energy: 3.325
local terms energy: -625.385289
where:
bonds (distance) C4'-P energy: -98.049
bonds (distance) P-C4' energy: -106.349
flat angles C4'-P-C4' energy: -137.094
flat angles P-C4'-P energy: -94.872
tors. eta vs tors. theta energy: -189.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2066.761949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.761949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.761949 (E_RNA)
where:
Base-Base interactions energy: -1458.489
where: short stacking energy: -582.679
Base-Backbone interact. energy: -1.176
local terms energy: -607.096994
where:
bonds (distance) C4'-P energy: -110.982
bonds (distance) P-C4' energy: -111.634
flat angles C4'-P-C4' energy: -132.174
flat angles P-C4'-P energy: -72.107
tors. eta vs tors. theta energy: -180.200
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: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1666.665553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.665553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.665553 (E_RNA)
where:
Base-Base interactions energy: -1125.532
where: short stacking energy: -458.164
Base-Backbone interact. energy: -3.518
local terms energy: -537.614858
where:
bonds (distance) C4'-P energy: -110.197
bonds (distance) P-C4' energy: -97.779
flat angles C4'-P-C4' energy: -123.224
flat angles P-C4'-P energy: -76.118
tors. eta vs tors. theta energy: -130.297
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: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1674.423966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.423966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.423966 (E_RNA)
where:
Base-Base interactions energy: -1174.125
where: short stacking energy: -466.175
Base-Backbone interact. energy: 1.031
local terms energy: -501.329480
where:
bonds (distance) C4'-P energy: -82.722
bonds (distance) P-C4' energy: -92.965
flat angles C4'-P-C4' energy: -121.010
flat angles P-C4'-P energy: -72.549
tors. eta vs tors. theta energy: -132.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -885.533036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.533036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.533036 (E_RNA)
where:
Base-Base interactions energy: -495.314
where: short stacking energy: -226.225
Base-Backbone interact. energy: 0.953
local terms energy: -391.171525
where:
bonds (distance) C4'-P energy: -108.788
bonds (distance) P-C4' energy: -95.135
flat angles C4'-P-C4' energy: -94.136
flat angles P-C4'-P energy: -62.479
tors. eta vs tors. theta energy: -30.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -477.510581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.510581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.510581 (E_RNA)
where:
Base-Base interactions energy: -152.373
where: short stacking energy: -109.382
Base-Backbone interact. energy: -1.671
local terms energy: -323.466250
where:
bonds (distance) C4'-P energy: -99.860
bonds (distance) P-C4' energy: -123.129
flat angles C4'-P-C4' energy: -71.558
flat angles P-C4'-P energy: -56.501
tors. eta vs tors. theta energy: 27.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2553.019002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.019002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.019002 (E_RNA)
where:
Base-Base interactions energy: -1835.175
where: short stacking energy: -700.119
Base-Backbone interact. energy: 0.354
local terms energy: -718.198248
where:
bonds (distance) C4'-P energy: -118.810
bonds (distance) P-C4' energy: -118.026
flat angles C4'-P-C4' energy: -152.090
flat angles P-C4'-P energy: -111.313
tors. eta vs tors. theta energy: -217.959
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: 489
Temperature: 0.950000
Total energy: -2541.295167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.295167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.295167 (E_RNA)
where:
Base-Base interactions energy: -1769.513
where: short stacking energy: -709.217
Base-Backbone interact. energy: -0.230
local terms energy: -771.552387
where:
bonds (distance) C4'-P energy: -135.415
bonds (distance) P-C4' energy: -135.096
flat angles C4'-P-C4' energy: -156.970
flat angles P-C4'-P energy: -108.708
tors. eta vs tors. theta energy: -235.363
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: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2396.202866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.202866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.202866 (E_RNA)
where:
Base-Base interactions energy: -1728.863
where: short stacking energy: -680.183
Base-Backbone interact. energy: -0.466
local terms energy: -666.874089
where:
bonds (distance) C4'-P energy: -114.525
bonds (distance) P-C4' energy: -103.757
flat angles C4'-P-C4' energy: -138.859
flat angles P-C4'-P energy: -92.239
tors. eta vs tors. theta energy: -217.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2254.516437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.516437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.516437 (E_RNA)
where:
Base-Base interactions energy: -1609.213
where: short stacking energy: -631.758
Base-Backbone interact. energy: 3.595
local terms energy: -648.898303
where:
bonds (distance) C4'-P energy: -94.821
bonds (distance) P-C4' energy: -123.366
flat angles C4'-P-C4' energy: -146.058
flat angles P-C4'-P energy: -85.848
tors. eta vs tors. theta energy: -198.805
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: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2115.013617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.013617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.013617 (E_RNA)
where:
Base-Base interactions energy: -1483.623
where: short stacking energy: -579.573
Base-Backbone interact. energy: -1.718
local terms energy: -629.672332
where:
bonds (distance) C4'-P energy: -104.464
bonds (distance) P-C4' energy: -120.900
flat angles C4'-P-C4' energy: -127.561
flat angles P-C4'-P energy: -93.021
tors. eta vs tors. theta energy: -183.726
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: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2047.823055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.823055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.823055 (E_RNA)
where:
Base-Base interactions energy: -1435.338
where: short stacking energy: -547.888
Base-Backbone interact. energy: -2.671
local terms energy: -609.814072
where:
bonds (distance) C4'-P energy: -110.582
bonds (distance) P-C4' energy: -117.280
flat angles C4'-P-C4' energy: -124.907
flat angles P-C4'-P energy: -78.589
tors. eta vs tors. theta energy: -178.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1636.105223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.105223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.105223 (E_RNA)
where:
Base-Base interactions energy: -1112.032
where: short stacking energy: -454.623
Base-Backbone interact. energy: 4.367
local terms energy: -528.440129
where:
bonds (distance) C4'-P energy: -98.400
bonds (distance) P-C4' energy: -115.589
flat angles C4'-P-C4' energy: -114.379
flat angles P-C4'-P energy: -76.668
tors. eta vs tors. theta energy: -123.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1655.765562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.765562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.765562 (E_RNA)
where:
Base-Base interactions energy: -1152.937
where: short stacking energy: -474.715
Base-Backbone interact. energy: -2.804
local terms energy: -500.024797
where:
bonds (distance) C4'-P energy: -108.518
bonds (distance) P-C4' energy: -83.823
flat angles C4'-P-C4' energy: -109.672
flat angles P-C4'-P energy: -74.075
tors. eta vs tors. theta energy: -123.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -857.620657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.620657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.620657 (E_RNA)
where:
Base-Base interactions energy: -487.456
where: short stacking energy: -228.849
Base-Backbone interact. energy: -2.225
local terms energy: -367.939587
where:
bonds (distance) C4'-P energy: -80.289
bonds (distance) P-C4' energy: -108.683
flat angles C4'-P-C4' energy: -97.964
flat angles P-C4'-P energy: -58.165
tors. eta vs tors. theta energy: -22.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -422.667721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.667721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.667721 (E_RNA)
where:
Base-Base interactions energy: -170.686
where: short stacking energy: -137.888
Base-Backbone interact. energy: 2.297
local terms energy: -254.279273
where:
bonds (distance) C4'-P energy: -80.020
bonds (distance) P-C4' energy: -94.136
flat angles C4'-P-C4' energy: -67.390
flat angles P-C4'-P energy: -36.456
tors. eta vs tors. theta energy: 23.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2578.686025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.686025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.686025 (E_RNA)
where:
Base-Base interactions energy: -1868.117
where: short stacking energy: -701.715
Base-Backbone interact. energy: 1.805
local terms energy: -712.373581
where:
bonds (distance) C4'-P energy: -125.400
bonds (distance) P-C4' energy: -124.825
flat angles C4'-P-C4' energy: -154.016
flat angles P-C4'-P energy: -88.885
tors. eta vs tors. theta energy: -219.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2514.114398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.114398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.114398 (E_RNA)
where:
Base-Base interactions energy: -1789.307
where: short stacking energy: -691.953
Base-Backbone interact. energy: 2.909
local terms energy: -727.716524
where:
bonds (distance) C4'-P energy: -120.652
bonds (distance) P-C4' energy: -131.883
flat angles C4'-P-C4' energy: -148.019
flat angles P-C4'-P energy: -97.667
tors. eta vs tors. theta energy: -229.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2408.921368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.921368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.921368 (E_RNA)
where:
Base-Base interactions energy: -1704.713
where: short stacking energy: -667.282
Base-Backbone interact. energy: 0.392
local terms energy: -704.600329
where:
bonds (distance) C4'-P energy: -115.589
bonds (distance) P-C4' energy: -128.919
flat angles C4'-P-C4' energy: -140.292
flat angles P-C4'-P energy: -100.205
tors. eta vs tors. theta energy: -219.595
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: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2224.747884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.747884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.747884 (E_RNA)
where:
Base-Base interactions energy: -1552.872
where: short stacking energy: -629.755
Base-Backbone interact. energy: -3.234
local terms energy: -668.641930
where:
bonds (distance) C4'-P energy: -121.223
bonds (distance) P-C4' energy: -116.350
flat angles C4'-P-C4' energy: -149.065
flat angles P-C4'-P energy: -84.108
tors. eta vs tors. theta energy: -197.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2106.007900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.007900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.007900 (E_RNA)
where:
Base-Base interactions energy: -1485.465
where: short stacking energy: -585.762
Base-Backbone interact. energy: 0.137
local terms energy: -620.680599
where:
bonds (distance) C4'-P energy: -107.232
bonds (distance) P-C4' energy: -115.744
flat angles C4'-P-C4' energy: -138.688
flat angles P-C4'-P energy: -78.133
tors. eta vs tors. theta energy: -180.884
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: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2019.000853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.000853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.000853 (E_RNA)
where:
Base-Base interactions energy: -1435.243
where: short stacking energy: -551.660
Base-Backbone interact. energy: 5.117
local terms energy: -588.874992
where:
bonds (distance) C4'-P energy: -103.923
bonds (distance) P-C4' energy: -107.048
flat angles C4'-P-C4' energy: -120.149
flat angles P-C4'-P energy: -87.844
tors. eta vs tors. theta energy: -169.911
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: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1727.313207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.313207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.313207 (E_RNA)
where:
Base-Base interactions energy: -1187.949
where: short stacking energy: -501.654
Base-Backbone interact. energy: -0.096
local terms energy: -539.268863
where:
bonds (distance) C4'-P energy: -100.276
bonds (distance) P-C4' energy: -112.428
flat angles C4'-P-C4' energy: -105.968
flat angles P-C4'-P energy: -75.037
tors. eta vs tors. theta energy: -145.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1601.858418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.858418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.858418 (E_RNA)
where:
Base-Base interactions energy: -1076.680
where: short stacking energy: -442.441
Base-Backbone interact. energy: -2.418
local terms energy: -522.760465
where:
bonds (distance) C4'-P energy: -105.653
bonds (distance) P-C4' energy: -112.284
flat angles C4'-P-C4' energy: -113.500
flat angles P-C4'-P energy: -57.811
tors. eta vs tors. theta energy: -133.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -873.131404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.131404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.131404 (E_RNA)
where:
Base-Base interactions energy: -485.939
where: short stacking energy: -227.666
Base-Backbone interact. energy: -0.763
local terms energy: -386.429139
where:
bonds (distance) C4'-P energy: -102.065
bonds (distance) P-C4' energy: -110.003
flat angles C4'-P-C4' energy: -101.444
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -478.189197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.189197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.189197 (E_RNA)
where:
Base-Base interactions energy: -149.974
where: short stacking energy: -135.732
Base-Backbone interact. energy: 5.632
local terms energy: -333.846891
where:
bonds (distance) C4'-P energy: -105.093
bonds (distance) P-C4' energy: -95.499
flat angles C4'-P-C4' energy: -93.482
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: 6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2580.881333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.881333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.881333 (E_RNA)
where:
Base-Base interactions energy: -1844.869
where: short stacking energy: -700.880
Base-Backbone interact. energy: -3.722
local terms energy: -732.291043
where:
bonds (distance) C4'-P energy: -133.921
bonds (distance) P-C4' energy: -123.986
flat angles C4'-P-C4' energy: -155.415
flat angles P-C4'-P energy: -99.948
tors. eta vs tors. theta energy: -219.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2499.897151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.897151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.897151 (E_RNA)
where:
Base-Base interactions energy: -1772.860
where: short stacking energy: -731.091
Base-Backbone interact. energy: 0.347
local terms energy: -727.383810
where:
bonds (distance) C4'-P energy: -124.851
bonds (distance) P-C4' energy: -112.154
flat angles C4'-P-C4' energy: -146.499
flat angles P-C4'-P energy: -111.749
tors. eta vs tors. theta energy: -232.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2386.799340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.799340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.799340 (E_RNA)
where:
Base-Base interactions energy: -1696.699
where: short stacking energy: -648.378
Base-Backbone interact. energy: -1.983
local terms energy: -688.117709
where:
bonds (distance) C4'-P energy: -115.527
bonds (distance) P-C4' energy: -131.489
flat angles C4'-P-C4' energy: -135.155
flat angles P-C4'-P energy: -93.371
tors. eta vs tors. theta energy: -212.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2256.192179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.192179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.192179 (E_RNA)
where:
Base-Base interactions energy: -1620.533
where: short stacking energy: -639.480
Base-Backbone interact. energy: -1.702
local terms energy: -633.957051
where:
bonds (distance) C4'-P energy: -104.158
bonds (distance) P-C4' energy: -121.316
flat angles C4'-P-C4' energy: -136.880
flat angles P-C4'-P energy: -75.840
tors. eta vs tors. theta energy: -195.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2125.566964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.566964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.566964 (E_RNA)
where:
Base-Base interactions energy: -1495.313
where: short stacking energy: -572.499
Base-Backbone interact. energy: -3.742
local terms energy: -626.512714
where:
bonds (distance) C4'-P energy: -116.882
bonds (distance) P-C4' energy: -111.249
flat angles C4'-P-C4' energy: -112.120
flat angles P-C4'-P energy: -93.415
tors. eta vs tors. theta energy: -192.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1951.560922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.560922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.560922 (E_RNA)
where:
Base-Base interactions energy: -1384.534
where: short stacking energy: -530.674
Base-Backbone interact. energy: -1.912
local terms energy: -565.114925
where:
bonds (distance) C4'-P energy: -99.887
bonds (distance) P-C4' energy: -102.829
flat angles C4'-P-C4' energy: -117.589
flat angles P-C4'-P energy: -83.227
tors. eta vs tors. theta energy: -161.582
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: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1736.862965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.862965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.862965 (E_RNA)
where:
Base-Base interactions energy: -1175.537
where: short stacking energy: -483.685
Base-Backbone interact. energy: 4.148
local terms energy: -565.473309
where:
bonds (distance) C4'-P energy: -119.686
bonds (distance) P-C4' energy: -114.136
flat angles C4'-P-C4' energy: -127.599
flat angles P-C4'-P energy: -66.563
tors. eta vs tors. theta energy: -137.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1611.822425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.822425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.822425 (E_RNA)
where:
Base-Base interactions energy: -1070.401
where: short stacking energy: -465.293
Base-Backbone interact. energy: 2.336
local terms energy: -543.756671
where:
bonds (distance) C4'-P energy: -93.255
bonds (distance) P-C4' energy: -107.651
flat angles C4'-P-C4' energy: -131.546
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -131.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -893.139708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.139708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.139708 (E_RNA)
where:
Base-Base interactions energy: -502.070
where: short stacking energy: -246.692
Base-Backbone interact. energy: 0.748
local terms energy: -391.817899
where:
bonds (distance) C4'-P energy: -97.428
bonds (distance) P-C4' energy: -107.980
flat angles C4'-P-C4' energy: -100.476
flat angles P-C4'-P energy: -49.074
tors. eta vs tors. theta energy: -36.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -446.690439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.690439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.690439 (E_RNA)
where:
Base-Base interactions energy: -129.088
where: short stacking energy: -101.567
Base-Backbone interact. energy: -3.302
local terms energy: -314.300275
where:
bonds (distance) C4'-P energy: -113.247
bonds (distance) P-C4' energy: -105.292
flat angles C4'-P-C4' energy: -82.466
flat angles P-C4'-P energy: -53.678
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: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2553.890458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.890458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.890458 (E_RNA)
where:
Base-Base interactions energy: -1830.015
where: short stacking energy: -707.819
Base-Backbone interact. energy: -2.313
local terms energy: -721.562332
where:
bonds (distance) C4'-P energy: -135.375
bonds (distance) P-C4' energy: -121.515
flat angles C4'-P-C4' energy: -145.287
flat angles P-C4'-P energy: -100.201
tors. eta vs tors. theta energy: -219.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2498.326438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.326438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.326438 (E_RNA)
where:
Base-Base interactions energy: -1783.055
where: short stacking energy: -695.459
Base-Backbone interact. energy: -1.559
local terms energy: -713.712426
where:
bonds (distance) C4'-P energy: -115.402
bonds (distance) P-C4' energy: -116.309
flat angles C4'-P-C4' energy: -146.778
flat angles P-C4'-P energy: -104.768
tors. eta vs tors. theta energy: -230.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2418.690363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.690363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.690363 (E_RNA)
where:
Base-Base interactions energy: -1736.912
where: short stacking energy: -683.879
Base-Backbone interact. energy: 0.235
local terms energy: -682.013529
where:
bonds (distance) C4'-P energy: -109.554
bonds (distance) P-C4' energy: -129.586
flat angles C4'-P-C4' energy: -140.619
flat angles P-C4'-P energy: -89.629
tors. eta vs tors. theta energy: -212.626
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: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2227.911879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.911879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.911879 (E_RNA)
where:
Base-Base interactions energy: -1595.020
where: short stacking energy: -633.161
Base-Backbone interact. energy: -2.783
local terms energy: -630.108864
where:
bonds (distance) C4'-P energy: -117.376
bonds (distance) P-C4' energy: -115.306
flat angles C4'-P-C4' energy: -133.557
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -190.977
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: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2144.057397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.057397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.057397 (E_RNA)
where:
Base-Base interactions energy: -1530.625
where: short stacking energy: -577.703
Base-Backbone interact. energy: -1.184
local terms energy: -612.248349
where:
bonds (distance) C4'-P energy: -106.233
bonds (distance) P-C4' energy: -97.477
flat angles C4'-P-C4' energy: -123.089
flat angles P-C4'-P energy: -92.227
tors. eta vs tors. theta energy: -193.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1927.548947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.548947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.548947 (E_RNA)
where:
Base-Base interactions energy: -1350.888
where: short stacking energy: -515.481
Base-Backbone interact. energy: 0.762
local terms energy: -577.422575
where:
bonds (distance) C4'-P energy: -107.605
bonds (distance) P-C4' energy: -99.347
flat angles C4'-P-C4' energy: -124.444
flat angles P-C4'-P energy: -84.927
tors. eta vs tors. theta energy: -161.098
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: 492
Temperature: 1.200000
Total energy: -1669.564250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.564250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.564250 (E_RNA)
where:
Base-Base interactions energy: -1134.826
where: short stacking energy: -460.611
Base-Backbone interact. energy: -1.979
local terms energy: -532.758780
where:
bonds (distance) C4'-P energy: -98.645
bonds (distance) P-C4' energy: -98.621
flat angles C4'-P-C4' energy: -120.533
flat angles P-C4'-P energy: -75.226
tors. eta vs tors. theta energy: -139.735
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: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1573.893247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.893247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.893247 (E_RNA)
where:
Base-Base interactions energy: -1052.133
where: short stacking energy: -415.778
Base-Backbone interact. energy: 6.717
local terms energy: -528.477500
where:
bonds (distance) C4'-P energy: -119.731
bonds (distance) P-C4' energy: -115.151
flat angles C4'-P-C4' energy: -108.352
flat angles P-C4'-P energy: -76.751
tors. eta vs tors. theta energy: -108.492
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: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -805.320662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.320662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.320662 (E_RNA)
where:
Base-Base interactions energy: -443.667
where: short stacking energy: -219.308
Base-Backbone interact. energy: -0.004
local terms energy: -361.649755
where:
bonds (distance) C4'-P energy: -107.921
bonds (distance) P-C4' energy: -86.896
flat angles C4'-P-C4' energy: -104.624
flat angles P-C4'-P energy: -56.775
tors. eta vs tors. theta energy: -5.433
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: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -461.621799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.621799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.621799 (E_RNA)
where:
Base-Base interactions energy: -132.357
where: short stacking energy: -125.290
Base-Backbone interact. energy: 2.471
local terms energy: -331.736231
where:
bonds (distance) C4'-P energy: -91.160
bonds (distance) P-C4' energy: -104.040
flat angles C4'-P-C4' energy: -89.969
flat angles P-C4'-P energy: -67.736
tors. eta vs tors. theta energy: 21.168
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: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2566.741948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.741948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.741948 (E_RNA)
where:
Base-Base interactions energy: -1833.494
where: short stacking energy: -702.231
Base-Backbone interact. energy: -1.967
local terms energy: -731.281113
where:
bonds (distance) C4'-P energy: -127.940
bonds (distance) P-C4' energy: -127.055
flat angles C4'-P-C4' energy: -158.759
flat angles P-C4'-P energy: -99.680
tors. eta vs tors. theta energy: -217.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2513.377959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.377959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.377959 (E_RNA)
where:
Base-Base interactions energy: -1794.398
where: short stacking energy: -717.287
Base-Backbone interact. energy: 0.122
local terms energy: -719.101953
where:
bonds (distance) C4'-P energy: -127.929
bonds (distance) P-C4' energy: -114.969
flat angles C4'-P-C4' energy: -146.627
flat angles P-C4'-P energy: -95.998
tors. eta vs tors. theta energy: -233.579
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: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2392.300435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.300435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.300435 (E_RNA)
where:
Base-Base interactions energy: -1699.604
where: short stacking energy: -663.906
Base-Backbone interact. energy: -1.715
local terms energy: -690.981179
where:
bonds (distance) C4'-P energy: -109.159
bonds (distance) P-C4' energy: -119.944
flat angles C4'-P-C4' energy: -142.598
flat angles P-C4'-P energy: -104.571
tors. eta vs tors. theta energy: -214.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2231.839473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.839473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.839473 (E_RNA)
where:
Base-Base interactions energy: -1588.755
where: short stacking energy: -615.652
Base-Backbone interact. energy: -0.704
local terms energy: -642.380097
where:
bonds (distance) C4'-P energy: -105.207
bonds (distance) P-C4' energy: -124.438
flat angles C4'-P-C4' energy: -132.834
flat angles P-C4'-P energy: -76.122
tors. eta vs tors. theta energy: -203.779
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: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2117.136062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.136062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.136062 (E_RNA)
where:
Base-Base interactions energy: -1480.623
where: short stacking energy: -595.252
Base-Backbone interact. energy: -1.812
local terms energy: -634.701013
where:
bonds (distance) C4'-P energy: -115.637
bonds (distance) P-C4' energy: -115.092
flat angles C4'-P-C4' energy: -124.474
flat angles P-C4'-P energy: -97.025
tors. eta vs tors. theta energy: -182.473
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: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1965.440391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.440391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.440391 (E_RNA)
where:
Base-Base interactions energy: -1395.004
where: short stacking energy: -518.219
Base-Backbone interact. energy: -2.776
local terms energy: -567.660425
where:
bonds (distance) C4'-P energy: -100.362
bonds (distance) P-C4' energy: -106.280
flat angles C4'-P-C4' energy: -123.093
flat angles P-C4'-P energy: -79.189
tors. eta vs tors. theta energy: -158.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1712.550515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.550515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.550515 (E_RNA)
where:
Base-Base interactions energy: -1173.229
where: short stacking energy: -473.901
Base-Backbone interact. energy: -2.637
local terms energy: -536.684721
where:
bonds (distance) C4'-P energy: -105.582
bonds (distance) P-C4' energy: -100.383
flat angles C4'-P-C4' energy: -108.829
flat angles P-C4'-P energy: -86.883
tors. eta vs tors. theta energy: -135.007
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: 493
Temperature: 1.250000
Total energy: -1523.929017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.929017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.929017 (E_RNA)
where:
Base-Base interactions energy: -1047.064
where: short stacking energy: -436.329
Base-Backbone interact. energy: 0.572
local terms energy: -477.436853
where:
bonds (distance) C4'-P energy: -110.856
bonds (distance) P-C4' energy: -91.689
flat angles C4'-P-C4' energy: -106.582
flat angles P-C4'-P energy: -61.358
tors. eta vs tors. theta energy: -106.952
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: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -809.962295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.962295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.962295 (E_RNA)
where:
Base-Base interactions energy: -451.974
where: short stacking energy: -241.145
Base-Backbone interact. energy: 1.283
local terms energy: -359.271127
where:
bonds (distance) C4'-P energy: -90.041
bonds (distance) P-C4' energy: -102.911
flat angles C4'-P-C4' energy: -102.606
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -462.134234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.134234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.134234 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -121.435
Base-Backbone interact. energy: 0.758
local terms energy: -336.516308
where:
bonds (distance) C4'-P energy: -100.943
bonds (distance) P-C4' energy: -99.874
flat angles C4'-P-C4' energy: -114.185
flat angles P-C4'-P energy: -47.381
tors. eta vs tors. theta energy: 25.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2585.033831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.033831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.033831 (E_RNA)
where:
Base-Base interactions energy: -1853.647
where: short stacking energy: -689.885
Base-Backbone interact. energy: -2.959
local terms energy: -728.428299
where:
bonds (distance) C4'-P energy: -115.735
bonds (distance) P-C4' energy: -138.649
flat angles C4'-P-C4' energy: -150.796
flat angles P-C4'-P energy: -111.218
tors. eta vs tors. theta energy: -212.031
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: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2524.313743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.313743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.313743 (E_RNA)
where:
Base-Base interactions energy: -1798.239
where: short stacking energy: -722.181
Base-Backbone interact. energy: 1.980
local terms energy: -728.054633
where:
bonds (distance) C4'-P energy: -109.153
bonds (distance) P-C4' energy: -127.773
flat angles C4'-P-C4' energy: -153.587
flat angles P-C4'-P energy: -97.503
tors. eta vs tors. theta energy: -240.039
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: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2407.744633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.744633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.744633 (E_RNA)
where:
Base-Base interactions energy: -1738.514
where: short stacking energy: -687.046
Base-Backbone interact. energy: -0.293
local terms energy: -668.936802
where:
bonds (distance) C4'-P energy: -110.584
bonds (distance) P-C4' energy: -114.051
flat angles C4'-P-C4' energy: -134.125
flat angles P-C4'-P energy: -92.717
tors. eta vs tors. theta energy: -217.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2230.451502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.451502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.451502 (E_RNA)
where:
Base-Base interactions energy: -1565.701
where: short stacking energy: -617.766
Base-Backbone interact. energy: -2.159
local terms energy: -662.590679
where:
bonds (distance) C4'-P energy: -126.316
bonds (distance) P-C4' energy: -117.347
flat angles C4'-P-C4' energy: -137.304
flat angles P-C4'-P energy: -82.171
tors. eta vs tors. theta energy: -199.453
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: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2140.630641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.630641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.630641 (E_RNA)
where:
Base-Base interactions energy: -1527.706
where: short stacking energy: -587.079
Base-Backbone interact. energy: -1.227
local terms energy: -611.697600
where:
bonds (distance) C4'-P energy: -116.305
bonds (distance) P-C4' energy: -96.019
flat angles C4'-P-C4' energy: -132.834
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -185.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1996.342957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.342957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.342957 (E_RNA)
where:
Base-Base interactions energy: -1406.125
where: short stacking energy: -548.594
Base-Backbone interact. energy: -1.451
local terms energy: -588.766587
where:
bonds (distance) C4'-P energy: -117.043
bonds (distance) P-C4' energy: -107.300
flat angles C4'-P-C4' energy: -124.805
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -160.574
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: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1692.228404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.228404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.228404 (E_RNA)
where:
Base-Base interactions energy: -1176.267
where: short stacking energy: -477.913
Base-Backbone interact. energy: 3.381
local terms energy: -519.342620
where:
bonds (distance) C4'-P energy: -100.265
bonds (distance) P-C4' energy: -95.676
flat angles C4'-P-C4' energy: -105.912
flat angles P-C4'-P energy: -81.451
tors. eta vs tors. theta energy: -136.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1545.870789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.870789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.870789 (E_RNA)
where:
Base-Base interactions energy: -1036.899
where: short stacking energy: -422.298
Base-Backbone interact. energy: 0.909
local terms energy: -509.880874
where:
bonds (distance) C4'-P energy: -98.046
bonds (distance) P-C4' energy: -109.829
flat angles C4'-P-C4' energy: -120.664
flat angles P-C4'-P energy: -71.205
tors. eta vs tors. theta energy: -110.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -863.479373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.479373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.479373 (E_RNA)
where:
Base-Base interactions energy: -470.900
where: short stacking energy: -246.847
Base-Backbone interact. energy: 3.406
local terms energy: -395.985343
where:
bonds (distance) C4'-P energy: -103.344
bonds (distance) P-C4' energy: -108.536
flat angles C4'-P-C4' energy: -111.101
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -15.657
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: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -439.096869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.096869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.096869 (E_RNA)
where:
Base-Base interactions energy: -143.192
where: short stacking energy: -121.714
Base-Backbone interact. energy: 0.304
local terms energy: -296.208055
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -111.833
flat angles C4'-P-C4' energy: -81.910
flat angles P-C4'-P energy: -42.482
tors. eta vs tors. theta energy: 30.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2570.324168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.324168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.324168 (E_RNA)
where:
Base-Base interactions energy: -1843.477
where: short stacking energy: -713.093
Base-Backbone interact. energy: -1.718
local terms energy: -725.128586
where:
bonds (distance) C4'-P energy: -120.284
bonds (distance) P-C4' energy: -138.611
flat angles C4'-P-C4' energy: -152.826
flat angles P-C4'-P energy: -96.983
tors. eta vs tors. theta energy: -216.426
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: 495
Temperature: 0.950000
Total energy: -2511.317833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.317833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.317833 (E_RNA)
where:
Base-Base interactions energy: -1790.488
where: short stacking energy: -707.855
Base-Backbone interact. energy: 1.046
local terms energy: -721.875811
where:
bonds (distance) C4'-P energy: -126.202
bonds (distance) P-C4' energy: -132.620
flat angles C4'-P-C4' energy: -130.275
flat angles P-C4'-P energy: -103.067
tors. eta vs tors. theta energy: -229.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2421.226927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.226927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.226927 (E_RNA)
where:
Base-Base interactions energy: -1724.610
where: short stacking energy: -668.859
Base-Backbone interact. energy: -1.448
local terms energy: -695.169032
where:
bonds (distance) C4'-P energy: -102.826
bonds (distance) P-C4' energy: -135.044
flat angles C4'-P-C4' energy: -137.229
flat angles P-C4'-P energy: -102.518
tors. eta vs tors. theta energy: -217.553
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: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2228.896065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.896065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.896065 (E_RNA)
where:
Base-Base interactions energy: -1615.483
where: short stacking energy: -611.820
Base-Backbone interact. energy: -2.773
local terms energy: -610.640071
where:
bonds (distance) C4'-P energy: -111.928
bonds (distance) P-C4' energy: -105.494
flat angles C4'-P-C4' energy: -126.703
flat angles P-C4'-P energy: -68.306
tors. eta vs tors. theta energy: -198.209
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: 5, replica: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2126.595008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.595008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.595008 (E_RNA)
where:
Base-Base interactions energy: -1505.020
where: short stacking energy: -585.344
Base-Backbone interact. energy: 3.979
local terms energy: -625.553842
where:
bonds (distance) C4'-P energy: -111.116
bonds (distance) P-C4' energy: -113.664
flat angles C4'-P-C4' energy: -126.174
flat angles P-C4'-P energy: -93.646
tors. eta vs tors. theta energy: -180.954
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: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1931.934405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.934405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.934405 (E_RNA)
where:
Base-Base interactions energy: -1364.930
where: short stacking energy: -529.390
Base-Backbone interact. energy: 1.524
local terms energy: -568.527886
where:
bonds (distance) C4'-P energy: -98.337
bonds (distance) P-C4' energy: -94.706
flat angles C4'-P-C4' energy: -130.908
flat angles P-C4'-P energy: -86.720
tors. eta vs tors. theta energy: -157.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1688.675732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.675732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.675732 (E_RNA)
where:
Base-Base interactions energy: -1148.522
where: short stacking energy: -499.410
Base-Backbone interact. energy: -2.855
local terms energy: -537.298711
where:
bonds (distance) C4'-P energy: -98.589
bonds (distance) P-C4' energy: -97.350
flat angles C4'-P-C4' energy: -115.112
flat angles P-C4'-P energy: -83.905
tors. eta vs tors. theta energy: -142.343
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: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1541.007820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.007820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.007820 (E_RNA)
where:
Base-Base interactions energy: -1045.971
where: short stacking energy: -427.172
Base-Backbone interact. energy: 0.545
local terms energy: -495.582061
where:
bonds (distance) C4'-P energy: -110.613
bonds (distance) P-C4' energy: -106.522
flat angles C4'-P-C4' energy: -95.627
flat angles P-C4'-P energy: -67.604
tors. eta vs tors. theta energy: -115.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -849.135164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.135164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.135164 (E_RNA)
where:
Base-Base interactions energy: -461.136
where: short stacking energy: -216.037
Base-Backbone interact. energy: -0.931
local terms energy: -387.068680
where:
bonds (distance) C4'-P energy: -106.003
bonds (distance) P-C4' energy: -111.837
flat angles C4'-P-C4' energy: -98.076
flat angles P-C4'-P energy: -47.299
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -460.680126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.680126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.680126 (E_RNA)
where:
Base-Base interactions energy: -147.311
where: short stacking energy: -117.883
Base-Backbone interact. energy: 0.413
local terms energy: -313.782090
where:
bonds (distance) C4'-P energy: -88.894
bonds (distance) P-C4' energy: -120.097
flat angles C4'-P-C4' energy: -90.155
flat angles P-C4'-P energy: -53.694
tors. eta vs tors. theta energy: 39.057
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: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2603.610871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.610871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.610871 (E_RNA)
where:
Base-Base interactions energy: -1889.426
where: short stacking energy: -724.337
Base-Backbone interact. energy: -1.364
local terms energy: -712.820912
where:
bonds (distance) C4'-P energy: -120.601
bonds (distance) P-C4' energy: -131.856
flat angles C4'-P-C4' energy: -145.343
flat angles P-C4'-P energy: -101.866
tors. eta vs tors. theta energy: -213.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2521.904508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.904508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.904508 (E_RNA)
where:
Base-Base interactions energy: -1791.202
where: short stacking energy: -731.593
Base-Backbone interact. energy: -0.113
local terms energy: -730.589746
where:
bonds (distance) C4'-P energy: -123.076
bonds (distance) P-C4' energy: -113.733
flat angles C4'-P-C4' energy: -150.737
flat angles P-C4'-P energy: -107.055
tors. eta vs tors. theta energy: -235.988
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: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2441.057030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.057030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.057030 (E_RNA)
where:
Base-Base interactions energy: -1759.754
where: short stacking energy: -708.982
Base-Backbone interact. energy: 1.006
local terms energy: -682.309633
where:
bonds (distance) C4'-P energy: -117.812
bonds (distance) P-C4' energy: -115.198
flat angles C4'-P-C4' energy: -148.611
flat angles P-C4'-P energy: -85.726
tors. eta vs tors. theta energy: -214.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2220.812042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.812042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.812042 (E_RNA)
where:
Base-Base interactions energy: -1595.741
where: short stacking energy: -638.045
Base-Backbone interact. energy: 6.773
local terms energy: -631.844158
where:
bonds (distance) C4'-P energy: -104.171
bonds (distance) P-C4' energy: -122.514
flat angles C4'-P-C4' energy: -137.331
flat angles P-C4'-P energy: -78.875
tors. eta vs tors. theta energy: -188.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2113.920389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.920389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.920389 (E_RNA)
where:
Base-Base interactions energy: -1499.522
where: short stacking energy: -570.941
Base-Backbone interact. energy: -0.894
local terms energy: -613.504017
where:
bonds (distance) C4'-P energy: -112.685
bonds (distance) P-C4' energy: -110.095
flat angles C4'-P-C4' energy: -128.963
flat angles P-C4'-P energy: -85.544
tors. eta vs tors. theta energy: -176.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1903.655993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.655993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.655993 (E_RNA)
where:
Base-Base interactions energy: -1355.722
where: short stacking energy: -528.944
Base-Backbone interact. energy: 1.436
local terms energy: -549.369719
where:
bonds (distance) C4'-P energy: -88.647
bonds (distance) P-C4' energy: -117.134
flat angles C4'-P-C4' energy: -121.762
flat angles P-C4'-P energy: -74.408
tors. eta vs tors. theta energy: -147.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1717.045037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.045037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.045037 (E_RNA)
where:
Base-Base interactions energy: -1181.992
where: short stacking energy: -504.300
Base-Backbone interact. energy: 2.475
local terms energy: -537.528080
where:
bonds (distance) C4'-P energy: -102.861
bonds (distance) P-C4' energy: -104.363
flat angles C4'-P-C4' energy: -120.878
flat angles P-C4'-P energy: -65.521
tors. eta vs tors. theta energy: -143.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1620.867911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.867911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.867911 (E_RNA)
where:
Base-Base interactions energy: -1105.095
where: short stacking energy: -445.628
Base-Backbone interact. energy: -4.741
local terms energy: -511.031198
where:
bonds (distance) C4'-P energy: -96.569
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -121.715
flat angles P-C4'-P energy: -78.442
tors. eta vs tors. theta energy: -116.213
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: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -875.905134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.905134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.905134 (E_RNA)
where:
Base-Base interactions energy: -516.786
where: short stacking energy: -255.410
Base-Backbone interact. energy: -1.510
local terms energy: -357.608299
where:
bonds (distance) C4'-P energy: -93.094
bonds (distance) P-C4' energy: -77.914
flat angles C4'-P-C4' energy: -91.889
flat angles P-C4'-P energy: -56.876
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -437.355986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.355986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.355986 (E_RNA)
where:
Base-Base interactions energy: -161.740
where: short stacking energy: -141.965
Base-Backbone interact. energy: -2.679
local terms energy: -272.937698
where:
bonds (distance) C4'-P energy: -76.841
bonds (distance) P-C4' energy: -97.133
flat angles C4'-P-C4' energy: -74.340
flat angles P-C4'-P energy: -52.103
tors. eta vs tors. theta energy: 27.479
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: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2566.317743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.317743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.317743 (E_RNA)
where:
Base-Base interactions energy: -1860.009
where: short stacking energy: -693.339
Base-Backbone interact. energy: -2.874
local terms energy: -703.434718
where:
bonds (distance) C4'-P energy: -109.812
bonds (distance) P-C4' energy: -113.785
flat angles C4'-P-C4' energy: -157.534
flat angles P-C4'-P energy: -104.831
tors. eta vs tors. theta energy: -217.472
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: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2503.423884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.423884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.423884 (E_RNA)
where:
Base-Base interactions energy: -1783.742
where: short stacking energy: -700.908
Base-Backbone interact. energy: -0.687
local terms energy: -718.995043
where:
bonds (distance) C4'-P energy: -126.555
bonds (distance) P-C4' energy: -115.716
flat angles C4'-P-C4' energy: -151.540
flat angles P-C4'-P energy: -99.468
tors. eta vs tors. theta energy: -225.717
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: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2394.100256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.100256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.100256 (E_RNA)
where:
Base-Base interactions energy: -1716.052
where: short stacking energy: -680.122
Base-Backbone interact. energy: 1.265
local terms energy: -679.313640
where:
bonds (distance) C4'-P energy: -95.261
bonds (distance) P-C4' energy: -129.965
flat angles C4'-P-C4' energy: -134.754
flat angles P-C4'-P energy: -101.564
tors. eta vs tors. theta energy: -217.769
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: 497
Temperature: 1.050000
Total energy: -2252.171846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.171846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.171846 (E_RNA)
where:
Base-Base interactions energy: -1617.982
where: short stacking energy: -621.521
Base-Backbone interact. energy: 5.509
local terms energy: -639.698643
where:
bonds (distance) C4'-P energy: -119.640
bonds (distance) P-C4' energy: -101.342
flat angles C4'-P-C4' energy: -136.776
flat angles P-C4'-P energy: -86.525
tors. eta vs tors. theta energy: -195.415
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: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2150.532762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.532762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.532762 (E_RNA)
where:
Base-Base interactions energy: -1568.297
where: short stacking energy: -600.599
Base-Backbone interact. energy: -3.335
local terms energy: -578.901116
where:
bonds (distance) C4'-P energy: -104.169
bonds (distance) P-C4' energy: -79.243
flat angles C4'-P-C4' energy: -131.612
flat angles P-C4'-P energy: -88.018
tors. eta vs tors. theta energy: -175.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1881.731190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.731190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.731190 (E_RNA)
where:
Base-Base interactions energy: -1330.559
where: short stacking energy: -530.002
Base-Backbone interact. energy: 10.179
local terms energy: -561.351135
where:
bonds (distance) C4'-P energy: -119.450
bonds (distance) P-C4' energy: -108.194
flat angles C4'-P-C4' energy: -117.868
flat angles P-C4'-P energy: -65.836
tors. eta vs tors. theta energy: -150.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1708.524850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.524850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.524850 (E_RNA)
where:
Base-Base interactions energy: -1173.604
where: short stacking energy: -471.682
Base-Backbone interact. energy: 3.966
local terms energy: -538.887029
where:
bonds (distance) C4'-P energy: -102.025
bonds (distance) P-C4' energy: -116.977
flat angles C4'-P-C4' energy: -109.160
flat angles P-C4'-P energy: -68.034
tors. eta vs tors. theta energy: -142.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1627.834809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.834809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.834809 (E_RNA)
where:
Base-Base interactions energy: -1118.641
where: short stacking energy: -456.678
Base-Backbone interact. energy: -1.286
local terms energy: -507.907872
where:
bonds (distance) C4'-P energy: -108.173
bonds (distance) P-C4' energy: -100.209
flat angles C4'-P-C4' energy: -112.651
flat angles P-C4'-P energy: -66.535
tors. eta vs tors. theta energy: -120.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -938.622006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.622006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.622006 (E_RNA)
where:
Base-Base interactions energy: -541.491
where: short stacking energy: -237.503
Base-Backbone interact. energy: 1.338
local terms energy: -398.469817
where:
bonds (distance) C4'-P energy: -116.575
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -100.798
flat angles P-C4'-P energy: -58.528
tors. eta vs tors. theta energy: -13.778
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: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -469.165251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.165251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.165251 (E_RNA)
where:
Base-Base interactions energy: -160.723
where: short stacking energy: -125.256
Base-Backbone interact. energy: 7.214
local terms energy: -315.656501
where:
bonds (distance) C4'-P energy: -102.699
bonds (distance) P-C4' energy: -104.815
flat angles C4'-P-C4' energy: -75.392
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: 20.890
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: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2547.521476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.521476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.521476 (E_RNA)
where:
Base-Base interactions energy: -1831.029
where: short stacking energy: -683.114
Base-Backbone interact. energy: -3.339
local terms energy: -713.153667
where:
bonds (distance) C4'-P energy: -120.672
bonds (distance) P-C4' energy: -130.730
flat angles C4'-P-C4' energy: -151.504
flat angles P-C4'-P energy: -92.053
tors. eta vs tors. theta energy: -218.195
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: 6
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2507.975920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.975920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.975920 (E_RNA)
where:
Base-Base interactions energy: -1770.567
where: short stacking energy: -707.873
Base-Backbone interact. energy: 0.599
local terms energy: -738.007896
where:
bonds (distance) C4'-P energy: -122.518
bonds (distance) P-C4' energy: -125.701
flat angles C4'-P-C4' energy: -154.902
flat angles P-C4'-P energy: -105.188
tors. eta vs tors. theta energy: -229.699
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: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2424.213488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.213488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.213488 (E_RNA)
where:
Base-Base interactions energy: -1736.251
where: short stacking energy: -685.626
Base-Backbone interact. energy: -1.828
local terms energy: -686.135336
where:
bonds (distance) C4'-P energy: -116.164
bonds (distance) P-C4' energy: -124.609
flat angles C4'-P-C4' energy: -139.179
flat angles P-C4'-P energy: -89.930
tors. eta vs tors. theta energy: -216.254
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: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2196.015223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.015223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.015223 (E_RNA)
where:
Base-Base interactions energy: -1570.594
where: short stacking energy: -618.285
Base-Backbone interact. energy: -4.373
local terms energy: -621.048669
where:
bonds (distance) C4'-P energy: -99.489
bonds (distance) P-C4' energy: -113.255
flat angles C4'-P-C4' energy: -128.615
flat angles P-C4'-P energy: -90.583
tors. eta vs tors. theta energy: -189.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2100.173269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.173269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.173269 (E_RNA)
where:
Base-Base interactions energy: -1468.993
where: short stacking energy: -600.764
Base-Backbone interact. energy: -2.668
local terms energy: -628.512657
where:
bonds (distance) C4'-P energy: -100.449
bonds (distance) P-C4' energy: -123.145
flat angles C4'-P-C4' energy: -139.095
flat angles P-C4'-P energy: -80.955
tors. eta vs tors. theta energy: -184.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1879.975703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.975703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.975703 (E_RNA)
where:
Base-Base interactions energy: -1299.182
where: short stacking energy: -511.516
Base-Backbone interact. energy: -3.672
local terms energy: -577.121985
where:
bonds (distance) C4'-P energy: -107.843
bonds (distance) P-C4' energy: -103.579
flat angles C4'-P-C4' energy: -125.313
flat angles P-C4'-P energy: -93.466
tors. eta vs tors. theta energy: -146.921
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: 498
Temperature: 1.200000
Total energy: -1699.750953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.750953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.750953 (E_RNA)
where:
Base-Base interactions energy: -1183.219
where: short stacking energy: -494.191
Base-Backbone interact. energy: -0.030
local terms energy: -516.501719
where:
bonds (distance) C4'-P energy: -109.500
bonds (distance) P-C4' energy: -85.554
flat angles C4'-P-C4' energy: -109.487
flat angles P-C4'-P energy: -69.854
tors. eta vs tors. theta energy: -142.107
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: 498
Temperature: 1.250000
Total energy: -1601.322154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.322154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.322154 (E_RNA)
where:
Base-Base interactions energy: -1084.962
where: short stacking energy: -427.031
Base-Backbone interact. energy: -5.318
local terms energy: -511.042838
where:
bonds (distance) C4'-P energy: -105.389
bonds (distance) P-C4' energy: -101.577
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -67.851
tors. eta vs tors. theta energy: -121.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -985.866978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.866978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.866978 (E_RNA)
where:
Base-Base interactions energy: -613.469
where: short stacking energy: -273.949
Base-Backbone interact. energy: -1.169
local terms energy: -371.229397
where:
bonds (distance) C4'-P energy: -93.341
bonds (distance) P-C4' energy: -101.747
flat angles C4'-P-C4' energy: -98.157
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -34.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -423.747396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.747396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.747396 (E_RNA)
where:
Base-Base interactions energy: -102.929
where: short stacking energy: -89.977
Base-Backbone interact. energy: 1.655
local terms energy: -322.473288
where:
bonds (distance) C4'-P energy: -101.611
bonds (distance) P-C4' energy: -115.049
flat angles C4'-P-C4' energy: -83.692
flat angles P-C4'-P energy: -52.387
tors. eta vs tors. theta energy: 30.265
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: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2573.642113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.642113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.642113 (E_RNA)
where:
Base-Base interactions energy: -1839.829
where: short stacking energy: -711.491
Base-Backbone interact. energy: 3.350
local terms energy: -737.162892
where:
bonds (distance) C4'-P energy: -121.717
bonds (distance) P-C4' energy: -126.998
flat angles C4'-P-C4' energy: -149.346
flat angles P-C4'-P energy: -115.934
tors. eta vs tors. theta energy: -223.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2514.442543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.442543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.442543 (E_RNA)
where:
Base-Base interactions energy: -1796.256
where: short stacking energy: -700.080
Base-Backbone interact. energy: -1.264
local terms energy: -716.921656
where:
bonds (distance) C4'-P energy: -110.126
bonds (distance) P-C4' energy: -137.159
flat angles C4'-P-C4' energy: -149.038
flat angles P-C4'-P energy: -91.470
tors. eta vs tors. theta energy: -229.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2441.528678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.528678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.528678 (E_RNA)
where:
Base-Base interactions energy: -1757.253
where: short stacking energy: -686.160
Base-Backbone interact. energy: -2.087
local terms energy: -682.188114
where:
bonds (distance) C4'-P energy: -100.632
bonds (distance) P-C4' energy: -130.812
flat angles C4'-P-C4' energy: -139.592
flat angles P-C4'-P energy: -97.485
tors. eta vs tors. theta energy: -213.668
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: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2214.908983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.908983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.908983 (E_RNA)
where:
Base-Base interactions energy: -1581.510
where: short stacking energy: -630.292
Base-Backbone interact. energy: -0.658
local terms energy: -632.741136
where:
bonds (distance) C4'-P energy: -89.548
bonds (distance) P-C4' energy: -107.998
flat angles C4'-P-C4' energy: -140.693
flat angles P-C4'-P energy: -99.246
tors. eta vs tors. theta energy: -195.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2165.692118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.692118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.692118 (E_RNA)
where:
Base-Base interactions energy: -1529.380
where: short stacking energy: -604.493
Base-Backbone interact. energy: -1.162
local terms energy: -635.150429
where:
bonds (distance) C4'-P energy: -102.723
bonds (distance) P-C4' energy: -113.611
flat angles C4'-P-C4' energy: -132.478
flat angles P-C4'-P energy: -99.035
tors. eta vs tors. theta energy: -187.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1924.797274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.797274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.797274 (E_RNA)
where:
Base-Base interactions energy: -1324.388
where: short stacking energy: -497.303
Base-Backbone interact. energy: -0.509
local terms energy: -599.900563
where:
bonds (distance) C4'-P energy: -92.611
bonds (distance) P-C4' energy: -119.945
flat angles C4'-P-C4' energy: -134.061
flat angles P-C4'-P energy: -93.886
tors. eta vs tors. theta energy: -159.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1764.783021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.783021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.783021 (E_RNA)
where:
Base-Base interactions energy: -1212.968
where: short stacking energy: -482.145
Base-Backbone interact. energy: -0.254
local terms energy: -551.560974
where:
bonds (distance) C4'-P energy: -101.982
bonds (distance) P-C4' energy: -104.434
flat angles C4'-P-C4' energy: -118.946
flat angles P-C4'-P energy: -75.137
tors. eta vs tors. theta energy: -151.062
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: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1627.282006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.282006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.282006 (E_RNA)
where:
Base-Base interactions energy: -1118.504
where: short stacking energy: -459.894
Base-Backbone interact. energy: 10.147
local terms energy: -518.925096
where:
bonds (distance) C4'-P energy: -98.818
bonds (distance) P-C4' energy: -115.505
flat angles C4'-P-C4' energy: -108.870
flat angles P-C4'-P energy: -68.104
tors. eta vs tors. theta energy: -127.628
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: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -968.891314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.891314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.891314 (E_RNA)
where:
Base-Base interactions energy: -571.496
where: short stacking energy: -260.837
Base-Backbone interact. energy: -3.985
local terms energy: -393.409495
where:
bonds (distance) C4'-P energy: -80.754
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -109.445
flat angles P-C4'-P energy: -56.729
tors. eta vs tors. theta energy: -37.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -469.098808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.098808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.098808 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -117.103
Base-Backbone interact. energy: -2.361
local terms energy: -329.755812
where:
bonds (distance) C4'-P energy: -104.585
bonds (distance) P-C4' energy: -107.547
flat angles C4'-P-C4' energy: -91.465
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: 22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2543.540652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.540652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.540652 (E_RNA)
where:
Base-Base interactions energy: -1812.015
where: short stacking energy: -727.147
Base-Backbone interact. energy: 2.240
local terms energy: -733.766208
where:
bonds (distance) C4'-P energy: -119.410
bonds (distance) P-C4' energy: -132.225
flat angles C4'-P-C4' energy: -157.374
flat angles P-C4'-P energy: -94.081
tors. eta vs tors. theta energy: -230.676
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: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2546.305357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.305357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.305357 (E_RNA)
where:
Base-Base interactions energy: -1821.002
where: short stacking energy: -689.662
Base-Backbone interact. energy: 0.008
local terms energy: -725.311288
where:
bonds (distance) C4'-P energy: -119.688
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -152.210
flat angles P-C4'-P energy: -109.998
tors. eta vs tors. theta energy: -220.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2444.696955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.696955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.696955 (E_RNA)
where:
Base-Base interactions energy: -1733.627
where: short stacking energy: -696.792
Base-Backbone interact. energy: 1.419
local terms energy: -712.488852
where:
bonds (distance) C4'-P energy: -114.023
bonds (distance) P-C4' energy: -134.702
flat angles C4'-P-C4' energy: -142.519
flat angles P-C4'-P energy: -99.207
tors. eta vs tors. theta energy: -222.039
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: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2203.210463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.210463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.210463 (E_RNA)
where:
Base-Base interactions energy: -1551.108
where: short stacking energy: -615.038
Base-Backbone interact. energy: -3.759
local terms energy: -648.343272
where:
bonds (distance) C4'-P energy: -108.127
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -138.007
flat angles P-C4'-P energy: -102.486
tors. eta vs tors. theta energy: -189.318
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2177.199730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.199730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.199730 (E_RNA)
where:
Base-Base interactions energy: -1547.215
where: short stacking energy: -605.845
Base-Backbone interact. energy: -0.777
local terms energy: -629.208223
where:
bonds (distance) C4'-P energy: -100.690
bonds (distance) P-C4' energy: -100.693
flat angles C4'-P-C4' energy: -145.662
flat angles P-C4'-P energy: -90.441
tors. eta vs tors. theta energy: -191.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1880.058159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.058159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.058159 (E_RNA)
where:
Base-Base interactions energy: -1333.734
where: short stacking energy: -505.150
Base-Backbone interact. energy: -0.975
local terms energy: -545.350009
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -106.431
flat angles C4'-P-C4' energy: -122.312
flat angles P-C4'-P energy: -69.808
tors. eta vs tors. theta energy: -155.598
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: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1780.200068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.200068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.200068 (E_RNA)
where:
Base-Base interactions energy: -1222.388
where: short stacking energy: -483.491
Base-Backbone interact. energy: -4.823
local terms energy: -552.989161
where:
bonds (distance) C4'-P energy: -91.384
bonds (distance) P-C4' energy: -115.915
flat angles C4'-P-C4' energy: -117.582
flat angles P-C4'-P energy: -77.158
tors. eta vs tors. theta energy: -150.950
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: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1594.729648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.729648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.729648 (E_RNA)
where:
Base-Base interactions energy: -1063.418
where: short stacking energy: -447.887
Base-Backbone interact. energy: -2.290
local terms energy: -529.021896
where:
bonds (distance) C4'-P energy: -105.567
bonds (distance) P-C4' energy: -83.161
flat angles C4'-P-C4' energy: -128.777
flat angles P-C4'-P energy: -81.363
tors. eta vs tors. theta energy: -130.154
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: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -927.614789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.614789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.614789 (E_RNA)
where:
Base-Base interactions energy: -533.174
where: short stacking energy: -259.786
Base-Backbone interact. energy: -1.055
local terms energy: -393.385620
where:
bonds (distance) C4'-P energy: -109.751
bonds (distance) P-C4' energy: -112.022
flat angles C4'-P-C4' energy: -83.261
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -34.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -449.030736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.030736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.030736 (E_RNA)
where:
Base-Base interactions energy: -116.766
where: short stacking energy: -101.197
Base-Backbone interact. energy: 1.776
local terms energy: -334.040333
where:
bonds (distance) C4'-P energy: -103.707
bonds (distance) P-C4' energy: -102.278
flat angles C4'-P-C4' energy: -93.385
flat angles P-C4'-P energy: -59.016
tors. eta vs tors. theta energy: 24.344
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: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2554.028078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.028078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.028078 (E_RNA)
where:
Base-Base interactions energy: -1808.612
where: short stacking energy: -746.216
Base-Backbone interact. energy: 0.040
local terms energy: -745.455618
where:
bonds (distance) C4'-P energy: -130.297
bonds (distance) P-C4' energy: -114.655
flat angles C4'-P-C4' energy: -147.251
flat angles P-C4'-P energy: -117.927
tors. eta vs tors. theta energy: -235.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2520.608535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.608535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.608535 (E_RNA)
where:
Base-Base interactions energy: -1826.942
where: short stacking energy: -707.753
Base-Backbone interact. energy: -0.766
local terms energy: -692.901121
where:
bonds (distance) C4'-P energy: -120.585
bonds (distance) P-C4' energy: -118.766
flat angles C4'-P-C4' energy: -154.654
flat angles P-C4'-P energy: -83.397
tors. eta vs tors. theta energy: -215.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2439.777492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.777492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.777492 (E_RNA)
where:
Base-Base interactions energy: -1751.709
where: short stacking energy: -678.592
Base-Backbone interact. energy: 0.920
local terms energy: -688.988275
where:
bonds (distance) C4'-P energy: -131.604
bonds (distance) P-C4' energy: -113.918
flat angles C4'-P-C4' energy: -134.899
flat angles P-C4'-P energy: -96.520
tors. eta vs tors. theta energy: -212.047
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: 501
Temperature: 1.050000
Total energy: -2249.123015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.123015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.123015 (E_RNA)
where:
Base-Base interactions energy: -1584.625
where: short stacking energy: -632.824
Base-Backbone interact. energy: -6.543
local terms energy: -657.955620
where:
bonds (distance) C4'-P energy: -108.551
bonds (distance) P-C4' energy: -121.118
flat angles C4'-P-C4' energy: -138.263
flat angles P-C4'-P energy: -90.872
tors. eta vs tors. theta energy: -199.153
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: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -2137.057891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.057891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.057891 (E_RNA)
where:
Base-Base interactions energy: -1505.287
where: short stacking energy: -601.656
Base-Backbone interact. energy: 2.391
local terms energy: -634.162022
where:
bonds (distance) C4'-P energy: -104.267
bonds (distance) P-C4' energy: -112.443
flat angles C4'-P-C4' energy: -138.890
flat angles P-C4'-P energy: -88.801
tors. eta vs tors. theta energy: -189.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1963.173649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.173649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.173649 (E_RNA)
where:
Base-Base interactions energy: -1405.491
where: short stacking energy: -532.401
Base-Backbone interact. energy: 0.391
local terms energy: -558.073898
where:
bonds (distance) C4'-P energy: -85.024
bonds (distance) P-C4' energy: -117.360
flat angles C4'-P-C4' energy: -128.068
flat angles P-C4'-P energy: -68.887
tors. eta vs tors. theta energy: -158.734
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: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1728.983986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.983986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.983986 (E_RNA)
where:
Base-Base interactions energy: -1194.352
where: short stacking energy: -494.672
Base-Backbone interact. energy: 2.828
local terms energy: -537.459741
where:
bonds (distance) C4'-P energy: -98.653
bonds (distance) P-C4' energy: -100.044
flat angles C4'-P-C4' energy: -116.125
flat angles P-C4'-P energy: -69.454
tors. eta vs tors. theta energy: -153.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1578.182860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.182860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.182860 (E_RNA)
where:
Base-Base interactions energy: -1060.717
where: short stacking energy: -441.017
Base-Backbone interact. energy: -0.593
local terms energy: -516.872589
where:
bonds (distance) C4'-P energy: -101.012
bonds (distance) P-C4' energy: -101.727
flat angles C4'-P-C4' energy: -119.352
flat angles P-C4'-P energy: -79.566
tors. eta vs tors. theta energy: -115.215
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: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -931.492571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.492571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.492571 (E_RNA)
where:
Base-Base interactions energy: -529.021
where: short stacking energy: -247.843
Base-Backbone interact. energy: -1.257
local terms energy: -401.214928
where:
bonds (distance) C4'-P energy: -100.086
bonds (distance) P-C4' energy: -106.772
flat angles C4'-P-C4' energy: -95.141
flat angles P-C4'-P energy: -60.940
tors. eta vs tors. theta energy: -38.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -473.735502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.735502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.735502 (E_RNA)
where:
Base-Base interactions energy: -133.473
where: short stacking energy: -132.611
Base-Backbone interact. energy: 0.264
local terms energy: -340.526644
where:
bonds (distance) C4'-P energy: -111.674
bonds (distance) P-C4' energy: -111.509
flat angles C4'-P-C4' energy: -91.042
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: 29.532
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 140162910
moves confirmed later: 161953186
all moves confirmed: 302116096
percent of confirmed moves: 37.764512
current total energy: -2552.691734
recalc. total energy: -2552.691734
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 101593053
moves confirmed later: 111428216
all moves confirmed: 213021269
percent of confirmed moves: 26.627659
current total energy: -2461.939413
recalc. total energy: -2461.939413
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 123740057
moves confirmed later: 140759200
all moves confirmed: 264499257
percent of confirmed moves: 33.062407
current total energy: -2341.643804
recalc. total energy: -2341.643804
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 135299664
moves confirmed later: 155425628
all moves confirmed: 290725292
percent of confirmed moves: 36.340662
current total energy: -2128.668886
recalc. total energy: -2128.668886
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 102680692
moves confirmed later: 111968189
all moves confirmed: 214648881
percent of confirmed moves: 26.831110
current total energy: -2009.649872
recalc. total energy: -2009.649872
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 111969413
moves confirmed later: 123311323
all moves confirmed: 235280736
percent of confirmed moves: 29.410092
current total energy: -1804.113507
recalc. total energy: -1804.113507
replica 2 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 126139326
moves confirmed later: 142401448
all moves confirmed: 268540774
percent of confirmed moves: 33.567597
current total energy: -1570.131474
recalc. total energy: -1570.131474
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 173793569
moves confirmed later: 204142915
all moves confirmed: 377936484
percent of confirmed moves: 47.242061
current total energy: -1507.357387
recalc. total energy: -1507.357387
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 197792039
moves confirmed later: 235054380
all moves confirmed: 432846419
percent of confirmed moves: 54.105802
current total energy: -847.178047
recalc. total energy: -847.178047
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 256115312
moves confirmed later: 312417696
all moves confirmed: 568533008
percent of confirmed moves: 71.066626
current total energy: -307.745606
recalc. total energy: -307.745606
out arg RESULTS//1/compbio_1-ef5c9552_01
Time of doing 8000000 iterations: 38084.285 seconds