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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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/tRNASec-092c60bd/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-092c60bd/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
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 95 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: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 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: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -515.834848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.834848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.834848 (E_RNA)
where:
Base-Base interactions energy: -245.054
where: short stacking energy: -231.775
Base-Backbone interact. energy: -2.434
local terms energy: -268.347376
where:
bonds (distance) C4'-P energy: -65.288
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -64.205
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -44.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -518.741415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.741415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.741415 (E_RNA)
where:
Base-Base interactions energy: -239.025
where: short stacking energy: -234.661
Base-Backbone interact. energy: -0.087
local terms energy: -279.629859
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -54.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -478.078654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.078654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.078654 (E_RNA)
where:
Base-Base interactions energy: -224.474
where: short stacking energy: -202.172
Base-Backbone interact. energy: -0.393
local terms energy: -253.211663
where:
bonds (distance) C4'-P energy: -56.156
bonds (distance) P-C4' energy: -54.951
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -443.537588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.537588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.537588 (E_RNA)
where:
Base-Base interactions energy: -199.491
where: short stacking energy: -184.690
Base-Backbone interact. energy: -0.559
local terms energy: -243.487561
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -63.984
flat angles C4'-P-C4' energy: -47.070
flat angles P-C4'-P energy: -38.212
tors. eta vs tors. theta energy: -38.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -409.158533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.158533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.158533 (E_RNA)
where:
Base-Base interactions energy: -174.261
where: short stacking energy: -168.766
Base-Backbone interact. energy: -0.054
local terms energy: -234.844146
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -54.590
flat angles C4'-P-C4' energy: -60.051
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -380.431385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.431385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.431385 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -44.999
Base-Backbone interact. energy: -0.000
local terms energy: -335.431850
where:
bonds (distance) C4'-P energy: -75.329
bonds (distance) P-C4' energy: -74.236
flat angles C4'-P-C4' energy: -70.447
flat angles P-C4'-P energy: -73.934
tors. eta vs tors. theta energy: -41.487
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -381.715102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.715102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.715102 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.000
local terms energy: -353.116988
where:
bonds (distance) C4'-P energy: -84.020
bonds (distance) P-C4' energy: -81.624
flat angles C4'-P-C4' energy: -69.141
flat angles P-C4'-P energy: -76.784
tors. eta vs tors. theta energy: -41.549
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -378.752252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.752252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.752252 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.000
local terms energy: -353.435903
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -77.385
flat angles C4'-P-C4' energy: -71.035
flat angles P-C4'-P energy: -77.749
tors. eta vs tors. theta energy: -42.678
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -379.471015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.471015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.471015 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.000
local terms energy: -350.113284
where:
bonds (distance) C4'-P energy: -83.392
bonds (distance) P-C4' energy: -76.006
flat angles C4'-P-C4' energy: -70.749
flat angles P-C4'-P energy: -76.811
tors. eta vs tors. theta energy: -43.156
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -375.942923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.942923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.942923 (E_RNA)
where:
Base-Base interactions energy: -22.098
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.000
local terms energy: -353.845180
where:
bonds (distance) C4'-P energy: -86.745
bonds (distance) P-C4' energy: -77.107
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -77.851
tors. eta vs tors. theta energy: -42.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -569.208562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.208562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.208562 (E_RNA)
where:
Base-Base interactions energy: -263.525
where: short stacking energy: -228.518
Base-Backbone interact. energy: -0.530
local terms energy: -305.153437
where:
bonds (distance) C4'-P energy: -68.184
bonds (distance) P-C4' energy: -64.902
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -60.959
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -560.238666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.238666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.238666 (E_RNA)
where:
Base-Base interactions energy: -301.442
where: short stacking energy: -221.877
Base-Backbone interact. energy: -1.073
local terms energy: -257.723998
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -62.925
flat angles C4'-P-C4' energy: -57.609
flat angles P-C4'-P energy: -30.201
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -568.776522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.776522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.776522 (E_RNA)
where:
Base-Base interactions energy: -323.193
where: short stacking energy: -204.447
Base-Backbone interact. energy: 0.517
local terms energy: -246.099845
where:
bonds (distance) C4'-P energy: -54.744
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -64.644
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -38.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -425.054248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.054248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.054248 (E_RNA)
where:
Base-Base interactions energy: -200.548
where: short stacking energy: -187.458
Base-Backbone interact. energy: 0.957
local terms energy: -225.463434
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -59.910
flat angles C4'-P-C4' energy: -55.322
flat angles P-C4'-P energy: -30.476
tors. eta vs tors. theta energy: -36.074
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -400.527848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.527848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.527848 (E_RNA)
where:
Base-Base interactions energy: -172.424
where: short stacking energy: -157.798
Base-Backbone interact. energy: -0.380
local terms energy: -227.723316
where:
bonds (distance) C4'-P energy: -49.079
bonds (distance) P-C4' energy: -56.129
flat angles C4'-P-C4' energy: -57.821
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -30.177
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: 3
Temperature: 1.150000
Total energy: -452.576676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.576676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.576676 (E_RNA)
where:
Base-Base interactions energy: -225.033
where: short stacking energy: -145.756
Base-Backbone interact. energy: 0.178
local terms energy: -227.721697
where:
bonds (distance) C4'-P energy: -51.151
bonds (distance) P-C4' energy: -58.802
flat angles C4'-P-C4' energy: -56.990
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -364.448374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.448374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.448374 (E_RNA)
where:
Base-Base interactions energy: -173.697
where: short stacking energy: -122.238
Base-Backbone interact. energy: -0.064
local terms energy: -190.686635
where:
bonds (distance) C4'-P energy: -47.570
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -15.799
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -320.190075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.190075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.190075 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -75.569
Base-Backbone interact. energy: 1.490
local terms energy: -185.900974
where:
bonds (distance) C4'-P energy: -49.880
bonds (distance) P-C4' energy: -58.573
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: 0.115
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -312.065584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.065584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.065584 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -93.886
Base-Backbone interact. energy: 1.321
local terms energy: -178.917906
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -52.633
flat angles C4'-P-C4' energy: -49.901
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -3.360
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -353.397410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.397410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.397410 (E_RNA)
where:
Base-Base interactions energy: -164.502
where: short stacking energy: -90.613
Base-Backbone interact. energy: -0.603
local terms energy: -188.292375
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -53.580
flat angles C4'-P-C4' energy: -49.991
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -614.752621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.752621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.752621 (E_RNA)
where:
Base-Base interactions energy: -311.819
where: short stacking energy: -227.238
Base-Backbone interact. energy: -0.294
local terms energy: -302.639380
where:
bonds (distance) C4'-P energy: -66.742
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -68.585
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -61.414
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -550.050507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.050507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.050507 (E_RNA)
where:
Base-Base interactions energy: -272.045
where: short stacking energy: -203.195
Base-Backbone interact. energy: -1.402
local terms energy: -276.603091
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -48.434
tors. eta vs tors. theta energy: -54.584
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -630.897087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.897087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.897087 (E_RNA)
where:
Base-Base interactions energy: -364.518
where: short stacking energy: -214.988
Base-Backbone interact. energy: -0.586
local terms energy: -265.793338
where:
bonds (distance) C4'-P energy: -64.327
bonds (distance) P-C4' energy: -68.564
flat angles C4'-P-C4' energy: -56.934
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -41.332
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -498.336613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.336613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.336613 (E_RNA)
where:
Base-Base interactions energy: -266.067
where: short stacking energy: -183.331
Base-Backbone interact. energy: -0.726
local terms energy: -231.543081
where:
bonds (distance) C4'-P energy: -62.177
bonds (distance) P-C4' energy: -53.268
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -552.804965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.804965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.804965 (E_RNA)
where:
Base-Base interactions energy: -330.862
where: short stacking energy: -162.048
Base-Backbone interact. energy: -0.008
local terms energy: -221.935394
where:
bonds (distance) C4'-P energy: -60.172
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -61.383
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -419.599622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.599622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.599622 (E_RNA)
where:
Base-Base interactions energy: -222.203
where: short stacking energy: -132.316
Base-Backbone interact. energy: -0.712
local terms energy: -196.684460
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -61.000
flat angles C4'-P-C4' energy: -43.027
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -402.697531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.697531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.697531 (E_RNA)
where:
Base-Base interactions energy: -195.630
where: short stacking energy: -137.138
Base-Backbone interact. energy: -0.748
local terms energy: -206.319634
where:
bonds (distance) C4'-P energy: -47.540
bonds (distance) P-C4' energy: -57.014
flat angles C4'-P-C4' energy: -45.718
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -20.906
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -357.792566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.792566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.792566 (E_RNA)
where:
Base-Base interactions energy: -167.182
where: short stacking energy: -113.762
Base-Backbone interact. energy: 0.457
local terms energy: -191.067812
where:
bonds (distance) C4'-P energy: -53.966
bonds (distance) P-C4' energy: -57.721
flat angles C4'-P-C4' energy: -48.247
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -387.675762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.675762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.675762 (E_RNA)
where:
Base-Base interactions energy: -205.893
where: short stacking energy: -118.259
Base-Backbone interact. energy: 0.783
local terms energy: -182.566241
where:
bonds (distance) C4'-P energy: -58.295
bonds (distance) P-C4' energy: -45.656
flat angles C4'-P-C4' energy: -42.086
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -290.397249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.397249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.397249 (E_RNA)
where:
Base-Base interactions energy: -138.382
where: short stacking energy: -97.173
Base-Backbone interact. energy: 0.876
local terms energy: -152.890555
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -55.701
flat angles C4'-P-C4' energy: -31.858
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -634.823287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.823287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.823287 (E_RNA)
where:
Base-Base interactions energy: -337.638
where: short stacking energy: -247.766
Base-Backbone interact. energy: -1.184
local terms energy: -296.001498
where:
bonds (distance) C4'-P energy: -66.442
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -53.837
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -69.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -748.280700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.280700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.280700 (E_RNA)
where:
Base-Base interactions energy: -474.946
where: short stacking energy: -248.609
Base-Backbone interact. energy: 0.952
local terms energy: -274.285778
where:
bonds (distance) C4'-P energy: -51.063
bonds (distance) P-C4' energy: -64.123
flat angles C4'-P-C4' energy: -58.437
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -54.080
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: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -547.788178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.788178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.788178 (E_RNA)
where:
Base-Base interactions energy: -289.814
where: short stacking energy: -217.321
Base-Backbone interact. energy: 1.434
local terms energy: -259.407643
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -56.765
flat angles C4'-P-C4' energy: -59.210
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -45.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -686.669154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.669154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.669154 (E_RNA)
where:
Base-Base interactions energy: -423.973
where: short stacking energy: -205.983
Base-Backbone interact. energy: -0.218
local terms energy: -262.478393
where:
bonds (distance) C4'-P energy: -63.523
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -61.912
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -55.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -513.446897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.446897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.446897 (E_RNA)
where:
Base-Base interactions energy: -298.263
where: short stacking energy: -168.762
Base-Backbone interact. energy: -0.017
local terms energy: -215.167139
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -49.797
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -27.544
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: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -466.157833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.157833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.157833 (E_RNA)
where:
Base-Base interactions energy: -246.842
where: short stacking energy: -144.701
Base-Backbone interact. energy: 0.159
local terms energy: -219.475375
where:
bonds (distance) C4'-P energy: -51.060
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -31.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -433.830085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.830085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.830085 (E_RNA)
where:
Base-Base interactions energy: -209.249
where: short stacking energy: -151.445
Base-Backbone interact. energy: 0.256
local terms energy: -224.836815
where:
bonds (distance) C4'-P energy: -48.825
bonds (distance) P-C4' energy: -61.765
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -26.025
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -457.496923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.496923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.496923 (E_RNA)
where:
Base-Base interactions energy: -250.934
where: short stacking energy: -145.851
Base-Backbone interact. energy: -0.680
local terms energy: -205.882942
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -28.862
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -313.847314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.847314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.847314 (E_RNA)
where:
Base-Base interactions energy: -137.545
where: short stacking energy: -97.193
Base-Backbone interact. energy: 0.829
local terms energy: -177.130626
where:
bonds (distance) C4'-P energy: -55.572
bonds (distance) P-C4' energy: -47.614
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -290.833961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.833961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.833961 (E_RNA)
where:
Base-Base interactions energy: -118.062
where: short stacking energy: -80.907
Base-Backbone interact. energy: -0.036
local terms energy: -172.736485
where:
bonds (distance) C4'-P energy: -52.413
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -791.290716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.290716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.290716 (E_RNA)
where:
Base-Base interactions energy: -508.228
where: short stacking energy: -233.274
Base-Backbone interact. energy: -0.148
local terms energy: -282.915053
where:
bonds (distance) C4'-P energy: -58.837
bonds (distance) P-C4' energy: -66.720
flat angles C4'-P-C4' energy: -63.473
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: -56.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -633.900248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.900248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.900248 (E_RNA)
where:
Base-Base interactions energy: -354.038
where: short stacking energy: -211.315
Base-Backbone interact. energy: 1.146
local terms energy: -281.008384
where:
bonds (distance) C4'-P energy: -65.205
bonds (distance) P-C4' energy: -60.133
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -54.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -722.409117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.409117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.409117 (E_RNA)
where:
Base-Base interactions energy: -456.467
where: short stacking energy: -238.409
Base-Backbone interact. energy: -2.187
local terms energy: -263.755646
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -63.700
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -62.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -517.039741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.039741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.039741 (E_RNA)
where:
Base-Base interactions energy: -272.859
where: short stacking energy: -174.609
Base-Backbone interact. energy: -1.951
local terms energy: -242.229868
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -61.158
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -520.957425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.957425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.957425 (E_RNA)
where:
Base-Base interactions energy: -305.405
where: short stacking energy: -161.755
Base-Backbone interact. energy: 1.818
local terms energy: -217.370701
where:
bonds (distance) C4'-P energy: -57.146
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -20.322
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -480.721359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.721359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.721359 (E_RNA)
where:
Base-Base interactions energy: -247.498
where: short stacking energy: -180.985
Base-Backbone interact. energy: -1.425
local terms energy: -231.798839
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -42.567
flat angles C4'-P-C4' energy: -70.178
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -466.253083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.253083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.253083 (E_RNA)
where:
Base-Base interactions energy: -257.414
where: short stacking energy: -126.052
Base-Backbone interact. energy: -0.490
local terms energy: -208.349174
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -52.293
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -4.809
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: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -400.313620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.313620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.313620 (E_RNA)
where:
Base-Base interactions energy: -206.620
where: short stacking energy: -139.860
Base-Backbone interact. energy: 2.684
local terms energy: -196.377593
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -35.427
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -303.140460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.140460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.140460 (E_RNA)
where:
Base-Base interactions energy: -134.120
where: short stacking energy: -112.919
Base-Backbone interact. energy: 4.079
local terms energy: -173.098972
where:
bonds (distance) C4'-P energy: -47.857
bonds (distance) P-C4' energy: -53.284
flat angles C4'-P-C4' energy: -44.345
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -342.393010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.393010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.393010 (E_RNA)
where:
Base-Base interactions energy: -173.974
where: short stacking energy: -105.019
Base-Backbone interact. energy: 1.731
local terms energy: -170.149917
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -52.740
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: 3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -822.841282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.841282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.841282 (E_RNA)
where:
Base-Base interactions energy: -520.786
where: short stacking energy: -267.829
Base-Backbone interact. energy: -0.684
local terms energy: -301.372098
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -68.257
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -71.769
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: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -772.662015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.662015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.662015 (E_RNA)
where:
Base-Base interactions energy: -488.920
where: short stacking energy: -232.181
Base-Backbone interact. energy: -1.523
local terms energy: -282.219094
where:
bonds (distance) C4'-P energy: -57.828
bonds (distance) P-C4' energy: -55.291
flat angles C4'-P-C4' energy: -65.740
flat angles P-C4'-P energy: -47.545
tors. eta vs tors. theta energy: -55.813
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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -596.920378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.920378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.920378 (E_RNA)
where:
Base-Base interactions energy: -341.556
where: short stacking energy: -220.885
Base-Backbone interact. energy: -1.734
local terms energy: -253.630082
where:
bonds (distance) C4'-P energy: -50.239
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -58.441
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -61.014
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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -576.526055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.526055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.526055 (E_RNA)
where:
Base-Base interactions energy: -328.134
where: short stacking energy: -179.182
Base-Backbone interact. energy: -1.493
local terms energy: -246.899190
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -60.813
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -34.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -495.408601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.408601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.408601 (E_RNA)
where:
Base-Base interactions energy: -266.248
where: short stacking energy: -176.164
Base-Backbone interact. energy: -1.029
local terms energy: -228.132015
where:
bonds (distance) C4'-P energy: -51.756
bonds (distance) P-C4' energy: -56.316
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -34.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -561.956329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.956329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.956329 (E_RNA)
where:
Base-Base interactions energy: -317.289
where: short stacking energy: -172.987
Base-Backbone interact. energy: 0.348
local terms energy: -245.015137
where:
bonds (distance) C4'-P energy: -62.504
bonds (distance) P-C4' energy: -53.645
flat angles C4'-P-C4' energy: -60.690
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: -34.235
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: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -450.592141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.592141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.592141 (E_RNA)
where:
Base-Base interactions energy: -243.766
where: short stacking energy: -151.434
Base-Backbone interact. energy: 1.546
local terms energy: -208.371914
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -53.297
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -337.672394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.672394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.672394 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -97.570
Base-Backbone interact. energy: -0.895
local terms energy: -195.182184
where:
bonds (distance) C4'-P energy: -56.378
bonds (distance) P-C4' energy: -55.994
flat angles C4'-P-C4' energy: -40.375
flat angles P-C4'-P energy: -37.902
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -381.257477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.257477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.257477 (E_RNA)
where:
Base-Base interactions energy: -202.016
where: short stacking energy: -116.540
Base-Backbone interact. energy: -1.154
local terms energy: -178.087327
where:
bonds (distance) C4'-P energy: -51.327
bonds (distance) P-C4' energy: -46.576
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -278.041795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.041795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.041795 (E_RNA)
where:
Base-Base interactions energy: -112.479
where: short stacking energy: -100.213
Base-Backbone interact. energy: -1.241
local terms energy: -164.321930
where:
bonds (distance) C4'-P energy: -46.991
bonds (distance) P-C4' energy: -56.613
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -828.514250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.514250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.514250 (E_RNA)
where:
Base-Base interactions energy: -559.465
where: short stacking energy: -271.721
Base-Backbone interact. energy: 2.839
local terms energy: -271.887601
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -59.311
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -61.941
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: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -758.191189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.191189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.191189 (E_RNA)
where:
Base-Base interactions energy: -458.934
where: short stacking energy: -248.986
Base-Backbone interact. energy: -0.774
local terms energy: -298.483124
where:
bonds (distance) C4'-P energy: -59.892
bonds (distance) P-C4' energy: -67.023
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -46.719
tors. eta vs tors. theta energy: -61.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -590.536594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.536594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.536594 (E_RNA)
where:
Base-Base interactions energy: -339.004
where: short stacking energy: -211.540
Base-Backbone interact. energy: -1.251
local terms energy: -250.281563
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -64.632
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -40.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -654.739433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.739433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.739433 (E_RNA)
where:
Base-Base interactions energy: -417.670
where: short stacking energy: -206.172
Base-Backbone interact. energy: -1.788
local terms energy: -235.282201
where:
bonds (distance) C4'-P energy: -55.446
bonds (distance) P-C4' energy: -51.577
flat angles C4'-P-C4' energy: -57.266
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -39.757
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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -633.608134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.608134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.608134 (E_RNA)
where:
Base-Base interactions energy: -386.930
where: short stacking energy: -190.334
Base-Backbone interact. energy: -2.299
local terms energy: -244.378999
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -55.485
flat angles P-C4'-P energy: -43.715
tors. eta vs tors. theta energy: -38.252
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: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -486.929982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.929982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.929982 (E_RNA)
where:
Base-Base interactions energy: -254.491
where: short stacking energy: -144.436
Base-Backbone interact. energy: -0.949
local terms energy: -231.490069
where:
bonds (distance) C4'-P energy: -54.751
bonds (distance) P-C4' energy: -53.953
flat angles C4'-P-C4' energy: -56.456
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -25.688
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: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -463.409075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.409075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.409075 (E_RNA)
where:
Base-Base interactions energy: -253.850
where: short stacking energy: -133.231
Base-Backbone interact. energy: -3.717
local terms energy: -205.842306
where:
bonds (distance) C4'-P energy: -35.891
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -54.974
flat angles P-C4'-P energy: -33.220
tors. eta vs tors. theta energy: -27.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -366.582009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.582009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.582009 (E_RNA)
where:
Base-Base interactions energy: -197.182
where: short stacking energy: -112.089
Base-Backbone interact. energy: 2.121
local terms energy: -171.520554
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -323.613440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.613440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.613440 (E_RNA)
where:
Base-Base interactions energy: -160.507
where: short stacking energy: -102.185
Base-Backbone interact. energy: -1.023
local terms energy: -162.083928
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -49.870
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -298.665548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.665548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.665548 (E_RNA)
where:
Base-Base interactions energy: -139.893
where: short stacking energy: -81.987
Base-Backbone interact. energy: -0.947
local terms energy: -157.824957
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -48.161
flat angles C4'-P-C4' energy: -34.606
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -7.088
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -821.478273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.478273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.478273 (E_RNA)
where:
Base-Base interactions energy: -525.682
where: short stacking energy: -241.704
Base-Backbone interact. energy: -2.395
local terms energy: -293.401578
where:
bonds (distance) C4'-P energy: -65.116
bonds (distance) P-C4' energy: -65.229
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -36.529
tors. eta vs tors. theta energy: -61.405
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: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -764.458956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.458956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.458956 (E_RNA)
where:
Base-Base interactions energy: -473.339
where: short stacking energy: -234.308
Base-Backbone interact. energy: -0.845
local terms energy: -290.274651
where:
bonds (distance) C4'-P energy: -62.368
bonds (distance) P-C4' energy: -66.761
flat angles C4'-P-C4' energy: -56.760
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -61.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -594.358044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.358044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.358044 (E_RNA)
where:
Base-Base interactions energy: -316.172
where: short stacking energy: -210.538
Base-Backbone interact. energy: 0.248
local terms energy: -278.434183
where:
bonds (distance) C4'-P energy: -63.932
bonds (distance) P-C4' energy: -58.506
flat angles C4'-P-C4' energy: -63.790
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: -54.855
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: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -726.228392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.228392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.228392 (E_RNA)
where:
Base-Base interactions energy: -466.311
where: short stacking energy: -194.574
Base-Backbone interact. energy: -1.612
local terms energy: -258.305111
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -56.957
flat angles C4'-P-C4' energy: -52.498
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -50.035
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: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -639.692775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.692775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.692775 (E_RNA)
where:
Base-Base interactions energy: -383.905
where: short stacking energy: -191.799
Base-Backbone interact. energy: 1.314
local terms energy: -257.102072
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -60.532
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -41.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -513.013622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.013622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.013622 (E_RNA)
where:
Base-Base interactions energy: -295.754
where: short stacking energy: -148.078
Base-Backbone interact. energy: 1.305
local terms energy: -218.564711
where:
bonds (distance) C4'-P energy: -55.208
bonds (distance) P-C4' energy: -64.884
flat angles C4'-P-C4' energy: -53.900
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -21.067
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: 7, replica: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -445.845149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.845149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.845149 (E_RNA)
where:
Base-Base interactions energy: -250.392
where: short stacking energy: -128.972
Base-Backbone interact. energy: 0.321
local terms energy: -195.774440
where:
bonds (distance) C4'-P energy: -51.750
bonds (distance) P-C4' energy: -56.272
flat angles C4'-P-C4' energy: -47.880
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -1.711
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -365.381165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.381165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.381165 (E_RNA)
where:
Base-Base interactions energy: -165.969
where: short stacking energy: -108.610
Base-Backbone interact. energy: -0.066
local terms energy: -199.345835
where:
bonds (distance) C4'-P energy: -49.922
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -50.676
flat angles P-C4'-P energy: -33.728
tors. eta vs tors. theta energy: -5.382
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: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -333.793100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.793100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.793100 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -109.494
Base-Backbone interact. energy: -0.401
local terms energy: -185.560750
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -52.605
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -295.809007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.809007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.809007 (E_RNA)
where:
Base-Base interactions energy: -136.292
where: short stacking energy: -93.960
Base-Backbone interact. energy: 1.326
local terms energy: -160.843525
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -53.051
flat angles C4'-P-C4' energy: -39.704
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -3.822
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: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -846.222289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.222289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.222289 (E_RNA)
where:
Base-Base interactions energy: -549.391
where: short stacking energy: -282.798
Base-Backbone interact. energy: -1.939
local terms energy: -294.893037
where:
bonds (distance) C4'-P energy: -53.531
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -67.021
flat angles P-C4'-P energy: -38.410
tors. eta vs tors. theta energy: -74.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -770.626663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.626663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.626663 (E_RNA)
where:
Base-Base interactions energy: -490.719
where: short stacking energy: -237.678
Base-Backbone interact. energy: -0.219
local terms energy: -279.688937
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -58.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -797.755868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.755868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.755868 (E_RNA)
where:
Base-Base interactions energy: -540.916
where: short stacking energy: -250.452
Base-Backbone interact. energy: -2.783
local terms energy: -254.056683
where:
bonds (distance) C4'-P energy: -60.730
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -34.025
tors. eta vs tors. theta energy: -53.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -541.987966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.987966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.987966 (E_RNA)
where:
Base-Base interactions energy: -293.530
where: short stacking energy: -161.921
Base-Backbone interact. energy: 1.547
local terms energy: -250.005155
where:
bonds (distance) C4'-P energy: -57.286
bonds (distance) P-C4' energy: -63.115
flat angles C4'-P-C4' energy: -58.871
flat angles P-C4'-P energy: -37.098
tors. eta vs tors. theta energy: -33.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -585.033987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.033987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.033987 (E_RNA)
where:
Base-Base interactions energy: -346.680
where: short stacking energy: -175.650
Base-Backbone interact. energy: -0.906
local terms energy: -237.448539
where:
bonds (distance) C4'-P energy: -55.265
bonds (distance) P-C4' energy: -56.656
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -38.446
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: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -561.310821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.310821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.310821 (E_RNA)
where:
Base-Base interactions energy: -352.961
where: short stacking energy: -165.525
Base-Backbone interact. energy: 2.562
local terms energy: -210.911840
where:
bonds (distance) C4'-P energy: -48.736
bonds (distance) P-C4' energy: -63.201
flat angles C4'-P-C4' energy: -44.467
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -446.769202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.769202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.769202 (E_RNA)
where:
Base-Base interactions energy: -232.314
where: short stacking energy: -118.257
Base-Backbone interact. energy: -1.857
local terms energy: -212.597813
where:
bonds (distance) C4'-P energy: -60.475
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -51.313
flat angles P-C4'-P energy: -34.716
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -413.281913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.281913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.281913 (E_RNA)
where:
Base-Base interactions energy: -218.772
where: short stacking energy: -142.269
Base-Backbone interact. energy: -1.267
local terms energy: -193.242212
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -55.872
flat angles P-C4'-P energy: -25.761
tors. eta vs tors. theta energy: -24.382
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -313.223465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.223465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.223465 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -106.492
Base-Backbone interact. energy: -0.864
local terms energy: -183.032475
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -45.237
flat angles C4'-P-C4' energy: -39.687
flat angles P-C4'-P energy: -46.227
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -264.920332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.920332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.920332 (E_RNA)
where:
Base-Base interactions energy: -91.306
where: short stacking energy: -85.884
Base-Backbone interact. energy: 0.671
local terms energy: -174.285160
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -58.272
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -843.354414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.354414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.354414 (E_RNA)
where:
Base-Base interactions energy: -550.622
where: short stacking energy: -279.496
Base-Backbone interact. energy: -0.906
local terms energy: -291.826377
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -66.786
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -63.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -870.582312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.582312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.582312 (E_RNA)
where:
Base-Base interactions energy: -602.788
where: short stacking energy: -248.315
Base-Backbone interact. energy: -1.328
local terms energy: -266.466062
where:
bonds (distance) C4'-P energy: -61.548
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -58.837
flat angles P-C4'-P energy: -31.825
tors. eta vs tors. theta energy: -56.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -764.108619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.108619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.108619 (E_RNA)
where:
Base-Base interactions energy: -468.142
where: short stacking energy: -240.699
Base-Backbone interact. energy: 0.282
local terms energy: -296.249035
where:
bonds (distance) C4'-P energy: -60.163
bonds (distance) P-C4' energy: -58.853
flat angles C4'-P-C4' energy: -66.599
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -66.132
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: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -652.910517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.910517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.910517 (E_RNA)
where:
Base-Base interactions energy: -405.910
where: short stacking energy: -202.423
Base-Backbone interact. energy: -1.691
local terms energy: -245.309390
where:
bonds (distance) C4'-P energy: -42.495
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -64.711
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -37.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -588.453988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.453988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.453988 (E_RNA)
where:
Base-Base interactions energy: -360.441
where: short stacking energy: -182.297
Base-Backbone interact. energy: -0.671
local terms energy: -227.341999
where:
bonds (distance) C4'-P energy: -54.799
bonds (distance) P-C4' energy: -59.967
flat angles C4'-P-C4' energy: -53.888
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -584.640745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.640745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.640745 (E_RNA)
where:
Base-Base interactions energy: -357.627
where: short stacking energy: -194.145
Base-Backbone interact. energy: 2.402
local terms energy: -229.415652
where:
bonds (distance) C4'-P energy: -54.013
bonds (distance) P-C4' energy: -46.754
flat angles C4'-P-C4' energy: -58.783
flat angles P-C4'-P energy: -30.764
tors. eta vs tors. theta energy: -39.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -500.099534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.099534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.099534 (E_RNA)
where:
Base-Base interactions energy: -283.161
where: short stacking energy: -133.345
Base-Backbone interact. energy: 1.030
local terms energy: -217.968193
where:
bonds (distance) C4'-P energy: -50.383
bonds (distance) P-C4' energy: -59.397
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -30.893
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -463.093066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.093066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.093066 (E_RNA)
where:
Base-Base interactions energy: -239.356
where: short stacking energy: -139.323
Base-Backbone interact. energy: -0.235
local terms energy: -223.501505
where:
bonds (distance) C4'-P energy: -55.921
bonds (distance) P-C4' energy: -51.150
flat angles C4'-P-C4' energy: -50.022
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -25.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -362.265583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.265583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.265583 (E_RNA)
where:
Base-Base interactions energy: -165.842
where: short stacking energy: -117.355
Base-Backbone interact. energy: -0.467
local terms energy: -195.956952
where:
bonds (distance) C4'-P energy: -58.891
bonds (distance) P-C4' energy: -59.744
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -32.405
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -283.819244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.819244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.819244 (E_RNA)
where:
Base-Base interactions energy: -99.409
where: short stacking energy: -85.287
Base-Backbone interact. energy: -1.102
local terms energy: -183.308166
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -52.563
flat angles C4'-P-C4' energy: -49.763
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: 3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -925.000216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.000216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.000216 (E_RNA)
where:
Base-Base interactions energy: -642.331
where: short stacking energy: -273.057
Base-Backbone interact. energy: -1.890
local terms energy: -280.779384
where:
bonds (distance) C4'-P energy: -61.745
bonds (distance) P-C4' energy: -59.916
flat angles C4'-P-C4' energy: -64.224
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -64.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -821.703005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.703005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.703005 (E_RNA)
where:
Base-Base interactions energy: -542.830
where: short stacking energy: -255.458
Base-Backbone interact. energy: -2.980
local terms energy: -275.893273
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -44.019
flat angles C4'-P-C4' energy: -69.730
flat angles P-C4'-P energy: -48.960
tors. eta vs tors. theta energy: -63.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -730.646721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.646721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.646721 (E_RNA)
where:
Base-Base interactions energy: -462.444
where: short stacking energy: -213.917
Base-Backbone interact. energy: -4.976
local terms energy: -263.226523
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -60.635
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -41.257
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: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -743.268664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.268664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.268664 (E_RNA)
where:
Base-Base interactions energy: -469.647
where: short stacking energy: -242.736
Base-Backbone interact. energy: -0.541
local terms energy: -273.080913
where:
bonds (distance) C4'-P energy: -51.778
bonds (distance) P-C4' energy: -54.187
flat angles C4'-P-C4' energy: -66.906
flat angles P-C4'-P energy: -35.146
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: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -608.295923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.295923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.295923 (E_RNA)
where:
Base-Base interactions energy: -375.661
where: short stacking energy: -200.675
Base-Backbone interact. energy: -2.603
local terms energy: -230.031662
where:
bonds (distance) C4'-P energy: -55.356
bonds (distance) P-C4' energy: -52.155
flat angles C4'-P-C4' energy: -55.840
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -35.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -579.434786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.434786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.434786 (E_RNA)
where:
Base-Base interactions energy: -352.403
where: short stacking energy: -166.738
Base-Backbone interact. energy: -0.436
local terms energy: -226.595454
where:
bonds (distance) C4'-P energy: -42.319
bonds (distance) P-C4' energy: -62.592
flat angles C4'-P-C4' energy: -55.374
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -27.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -578.296972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.296972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.296972 (E_RNA)
where:
Base-Base interactions energy: -349.075
where: short stacking energy: -174.819
Base-Backbone interact. energy: -0.734
local terms energy: -228.488428
where:
bonds (distance) C4'-P energy: -47.439
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -34.332
tors. eta vs tors. theta energy: -31.351
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: 8, replica: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -457.229562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.229562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.229562 (E_RNA)
where:
Base-Base interactions energy: -265.259
where: short stacking energy: -147.526
Base-Backbone interact. energy: -1.332
local terms energy: -190.638002
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -57.409
flat angles C4'-P-C4' energy: -46.447
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -23.112
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: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -322.057108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.057108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.057108 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -98.905
Base-Backbone interact. energy: -0.641
local terms energy: -179.243808
where:
bonds (distance) C4'-P energy: -46.877
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -27.166
tors. eta vs tors. theta energy: 1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -293.526927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.526927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.526927 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -89.764
Base-Backbone interact. energy: 0.558
local terms energy: -172.682725
where:
bonds (distance) C4'-P energy: -46.656
bonds (distance) P-C4' energy: -59.925
flat angles C4'-P-C4' energy: -38.641
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: 1.489
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: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -949.112253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.112253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.112253 (E_RNA)
where:
Base-Base interactions energy: -680.043
where: short stacking energy: -275.827
Base-Backbone interact. energy: -1.205
local terms energy: -267.864424
where:
bonds (distance) C4'-P energy: -54.466
bonds (distance) P-C4' energy: -50.363
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -73.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -837.314921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.314921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.314921 (E_RNA)
where:
Base-Base interactions energy: -548.673
where: short stacking energy: -261.816
Base-Backbone interact. energy: -1.440
local terms energy: -287.201990
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -63.022
flat angles C4'-P-C4' energy: -71.773
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -60.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -713.065055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.065055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.065055 (E_RNA)
where:
Base-Base interactions energy: -459.432
where: short stacking energy: -204.622
Base-Backbone interact. energy: -1.068
local terms energy: -252.564883
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -67.468
flat angles C4'-P-C4' energy: -60.827
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -726.131123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.131123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.131123 (E_RNA)
where:
Base-Base interactions energy: -452.513
where: short stacking energy: -232.299
Base-Backbone interact. energy: -1.857
local terms energy: -271.761833
where:
bonds (distance) C4'-P energy: -62.417
bonds (distance) P-C4' energy: -56.933
flat angles C4'-P-C4' energy: -61.812
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: -53.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -638.513771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.513771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.513771 (E_RNA)
where:
Base-Base interactions energy: -370.406
where: short stacking energy: -196.300
Base-Backbone interact. energy: -1.076
local terms energy: -267.031252
where:
bonds (distance) C4'-P energy: -62.198
bonds (distance) P-C4' energy: -62.187
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -39.868
tors. eta vs tors. theta energy: -47.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -588.843812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.843812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.843812 (E_RNA)
where:
Base-Base interactions energy: -349.941
where: short stacking energy: -170.719
Base-Backbone interact. energy: 1.145
local terms energy: -240.048462
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -55.956
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -29.398
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: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -616.004870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.004870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.004870 (E_RNA)
where:
Base-Base interactions energy: -375.745
where: short stacking energy: -186.586
Base-Backbone interact. energy: -0.954
local terms energy: -239.306407
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -68.916
flat angles C4'-P-C4' energy: -42.504
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -39.018
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: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -493.555217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.555217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.555217 (E_RNA)
where:
Base-Base interactions energy: -292.922
where: short stacking energy: -165.236
Base-Backbone interact. energy: -1.398
local terms energy: -199.235386
where:
bonds (distance) C4'-P energy: -54.282
bonds (distance) P-C4' energy: -49.600
flat angles C4'-P-C4' energy: -42.716
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -30.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -339.381546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.381546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.381546 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -94.693
Base-Backbone interact. energy: 1.079
local terms energy: -191.754415
where:
bonds (distance) C4'-P energy: -55.413
bonds (distance) P-C4' energy: -58.805
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -279.688801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.688801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.688801 (E_RNA)
where:
Base-Base interactions energy: -129.370
where: short stacking energy: -87.302
Base-Backbone interact. energy: 3.052
local terms energy: -153.371058
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -49.866
flat angles C4'-P-C4' energy: -45.274
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -954.683529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.683529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.683529 (E_RNA)
where:
Base-Base interactions energy: -687.534
where: short stacking energy: -278.492
Base-Backbone interact. energy: -3.839
local terms energy: -263.310251
where:
bonds (distance) C4'-P energy: -54.109
bonds (distance) P-C4' energy: -54.453
flat angles C4'-P-C4' energy: -58.024
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -59.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -842.118127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.118127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.118127 (E_RNA)
where:
Base-Base interactions energy: -556.039
where: short stacking energy: -281.346
Base-Backbone interact. energy: 0.268
local terms energy: -286.346776
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -57.105
flat angles C4'-P-C4' energy: -66.034
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -68.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -791.422479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.422479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.422479 (E_RNA)
where:
Base-Base interactions energy: -532.904
where: short stacking energy: -231.498
Base-Backbone interact. energy: -2.149
local terms energy: -256.368950
where:
bonds (distance) C4'-P energy: -51.136
bonds (distance) P-C4' energy: -58.824
flat angles C4'-P-C4' energy: -52.432
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -54.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -746.848586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.848586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.848586 (E_RNA)
where:
Base-Base interactions energy: -472.318
where: short stacking energy: -237.885
Base-Backbone interact. energy: -0.423
local terms energy: -274.107519
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -63.763
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -62.765
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: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -626.501834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.501834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.501834 (E_RNA)
where:
Base-Base interactions energy: -379.471
where: short stacking energy: -199.973
Base-Backbone interact. energy: -0.109
local terms energy: -246.921744
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -66.505
flat angles C4'-P-C4' energy: -59.549
flat angles P-C4'-P energy: -32.994
tors. eta vs tors. theta energy: -36.708
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: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -619.911926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.911926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.911926 (E_RNA)
where:
Base-Base interactions energy: -385.502
where: short stacking energy: -206.445
Base-Backbone interact. energy: -0.655
local terms energy: -233.754991
where:
bonds (distance) C4'-P energy: -52.316
bonds (distance) P-C4' energy: -56.211
flat angles C4'-P-C4' energy: -46.059
flat angles P-C4'-P energy: -35.991
tors. eta vs tors. theta energy: -43.177
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: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -647.027294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.027294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.027294 (E_RNA)
where:
Base-Base interactions energy: -412.728
where: short stacking energy: -199.671
Base-Backbone interact. energy: 1.731
local terms energy: -236.029470
where:
bonds (distance) C4'-P energy: -53.276
bonds (distance) P-C4' energy: -47.781
flat angles C4'-P-C4' energy: -61.746
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -43.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -486.943036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.943036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.943036 (E_RNA)
where:
Base-Base interactions energy: -272.114
where: short stacking energy: -140.402
Base-Backbone interact. energy: -1.286
local terms energy: -213.543245
where:
bonds (distance) C4'-P energy: -59.746
bonds (distance) P-C4' energy: -57.044
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -27.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -321.252973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.252973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.252973 (E_RNA)
where:
Base-Base interactions energy: -128.845
where: short stacking energy: -94.664
Base-Backbone interact. energy: -0.944
local terms energy: -191.464064
where:
bonds (distance) C4'-P energy: -52.152
bonds (distance) P-C4' energy: -60.839
flat angles C4'-P-C4' energy: -49.611
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -7.352
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: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -323.455758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.455758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.455758 (E_RNA)
where:
Base-Base interactions energy: -137.142
where: short stacking energy: -105.438
Base-Backbone interact. energy: 0.199
local terms energy: -186.512965
where:
bonds (distance) C4'-P energy: -50.669
bonds (distance) P-C4' energy: -57.340
flat angles C4'-P-C4' energy: -44.294
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -958.139666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.139666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.139666 (E_RNA)
where:
Base-Base interactions energy: -668.816
where: short stacking energy: -273.464
Base-Backbone interact. energy: -3.244
local terms energy: -286.079736
where:
bonds (distance) C4'-P energy: -59.809
bonds (distance) P-C4' energy: -62.822
flat angles C4'-P-C4' energy: -65.351
flat angles P-C4'-P energy: -36.852
tors. eta vs tors. theta energy: -61.247
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: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -861.100465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.100465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.100465 (E_RNA)
where:
Base-Base interactions energy: -553.378
where: short stacking energy: -278.801
Base-Backbone interact. energy: -1.378
local terms energy: -306.344387
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -75.788
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -64.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -790.405426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.405426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.405426 (E_RNA)
where:
Base-Base interactions energy: -517.779
where: short stacking energy: -236.428
Base-Backbone interact. energy: -1.355
local terms energy: -271.271437
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -65.476
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -51.568
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: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -748.658761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.658761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.658761 (E_RNA)
where:
Base-Base interactions energy: -484.861
where: short stacking energy: -236.183
Base-Backbone interact. energy: -0.536
local terms energy: -263.262407
where:
bonds (distance) C4'-P energy: -45.394
bonds (distance) P-C4' energy: -68.341
flat angles C4'-P-C4' energy: -57.558
flat angles P-C4'-P energy: -35.926
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: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -647.955975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.955975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.955975 (E_RNA)
where:
Base-Base interactions energy: -402.068
where: short stacking energy: -218.914
Base-Backbone interact. energy: -3.795
local terms energy: -242.092638
where:
bonds (distance) C4'-P energy: -54.326
bonds (distance) P-C4' energy: -49.747
flat angles C4'-P-C4' energy: -64.115
flat angles P-C4'-P energy: -30.123
tors. eta vs tors. theta energy: -43.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -685.377186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.377186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.377186 (E_RNA)
where:
Base-Base interactions energy: -435.016
where: short stacking energy: -223.721
Base-Backbone interact. energy: 4.029
local terms energy: -254.390672
where:
bonds (distance) C4'-P energy: -51.639
bonds (distance) P-C4' energy: -56.880
flat angles C4'-P-C4' energy: -60.019
flat angles P-C4'-P energy: -34.908
tors. eta vs tors. theta energy: -50.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -621.942412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.942412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.942412 (E_RNA)
where:
Base-Base interactions energy: -392.982
where: short stacking energy: -173.940
Base-Backbone interact. energy: -0.790
local terms energy: -228.170167
where:
bonds (distance) C4'-P energy: -46.909
bonds (distance) P-C4' energy: -52.553
flat angles C4'-P-C4' energy: -57.949
flat angles P-C4'-P energy: -38.451
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -454.990421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.990421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.990421 (E_RNA)
where:
Base-Base interactions energy: -246.866
where: short stacking energy: -145.865
Base-Backbone interact. energy: -0.367
local terms energy: -207.757360
where:
bonds (distance) C4'-P energy: -51.532
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -42.199
flat angles P-C4'-P energy: -46.993
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -299.369509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.369509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.369509 (E_RNA)
where:
Base-Base interactions energy: -129.091
where: short stacking energy: -92.086
Base-Backbone interact. energy: 1.785
local terms energy: -172.063444
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -45.768
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: 9.128
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: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -242.558278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.558278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.558278 (E_RNA)
where:
Base-Base interactions energy: -81.699
where: short stacking energy: -69.199
Base-Backbone interact. energy: -1.358
local terms energy: -159.501626
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -65.288
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -24.098
tors. eta vs tors. theta energy: 11.834
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: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -926.371217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.371217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.371217 (E_RNA)
where:
Base-Base interactions energy: -642.371
where: short stacking energy: -264.018
Base-Backbone interact. energy: -1.270
local terms energy: -282.730430
where:
bonds (distance) C4'-P energy: -53.987
bonds (distance) P-C4' energy: -58.862
flat angles C4'-P-C4' energy: -66.088
flat angles P-C4'-P energy: -37.482
tors. eta vs tors. theta energy: -66.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -839.248399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.248399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.248399 (E_RNA)
where:
Base-Base interactions energy: -547.949
where: short stacking energy: -251.849
Base-Backbone interact. energy: 4.319
local terms energy: -295.618879
where:
bonds (distance) C4'-P energy: -64.067
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -49.729
tors. eta vs tors. theta energy: -60.667
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: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -781.744580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.744580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.744580 (E_RNA)
where:
Base-Base interactions energy: -502.897
where: short stacking energy: -229.846
Base-Backbone interact. energy: -5.080
local terms energy: -273.766926
where:
bonds (distance) C4'-P energy: -59.674
bonds (distance) P-C4' energy: -60.834
flat angles C4'-P-C4' energy: -67.407
flat angles P-C4'-P energy: -30.786
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: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -778.968137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.968137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.968137 (E_RNA)
where:
Base-Base interactions energy: -497.461
where: short stacking energy: -245.276
Base-Backbone interact. energy: 1.552
local terms energy: -283.059355
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -57.550
flat angles C4'-P-C4' energy: -66.379
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: -67.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -703.207162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.207162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.207162 (E_RNA)
where:
Base-Base interactions energy: -466.252
where: short stacking energy: -211.621
Base-Backbone interact. energy: -1.052
local terms energy: -235.903293
where:
bonds (distance) C4'-P energy: -43.147
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -54.714
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -43.542
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: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -564.792593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.792593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.792593 (E_RNA)
where:
Base-Base interactions energy: -347.796
where: short stacking energy: -177.962
Base-Backbone interact. energy: 0.119
local terms energy: -217.115706
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -49.132
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -38.186
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: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -640.035301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.035301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.035301 (E_RNA)
where:
Base-Base interactions energy: -406.017
where: short stacking energy: -171.869
Base-Backbone interact. energy: -1.442
local terms energy: -232.576431
where:
bonds (distance) C4'-P energy: -56.968
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -45.366
flat angles P-C4'-P energy: -36.339
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -498.153960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.153960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.153960 (E_RNA)
where:
Base-Base interactions energy: -261.982
where: short stacking energy: -145.857
Base-Backbone interact. energy: 0.608
local terms energy: -236.779401
where:
bonds (distance) C4'-P energy: -60.524
bonds (distance) P-C4' energy: -63.350
flat angles C4'-P-C4' energy: -57.764
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -29.098
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: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -315.805181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.805181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.805181 (E_RNA)
where:
Base-Base interactions energy: -135.001
where: short stacking energy: -99.003
Base-Backbone interact. energy: -1.022
local terms energy: -179.782919
where:
bonds (distance) C4'-P energy: -52.436
bonds (distance) P-C4' energy: -64.980
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: 11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -262.739527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.739527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.739527 (E_RNA)
where:
Base-Base interactions energy: -97.676
where: short stacking energy: -62.841
Base-Backbone interact. energy: -2.471
local terms energy: -162.592393
where:
bonds (distance) C4'-P energy: -42.752
bonds (distance) P-C4' energy: -53.759
flat angles C4'-P-C4' energy: -54.525
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: 14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -940.012645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.012645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.012645 (E_RNA)
where:
Base-Base interactions energy: -642.383
where: short stacking energy: -283.112
Base-Backbone interact. energy: -3.192
local terms energy: -294.438092
where:
bonds (distance) C4'-P energy: -53.607
bonds (distance) P-C4' energy: -62.444
flat angles C4'-P-C4' energy: -62.351
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -70.286
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: 10
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -857.504919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.504919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.504919 (E_RNA)
where:
Base-Base interactions energy: -582.807
where: short stacking energy: -264.711
Base-Backbone interact. energy: -1.662
local terms energy: -273.035746
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -56.288
flat angles C4'-P-C4' energy: -59.478
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -59.113
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: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -775.869520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.869520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.869520 (E_RNA)
where:
Base-Base interactions energy: -492.066
where: short stacking energy: -228.681
Base-Backbone interact. energy: -0.550
local terms energy: -283.253450
where:
bonds (distance) C4'-P energy: -62.310
bonds (distance) P-C4' energy: -53.315
flat angles C4'-P-C4' energy: -64.545
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -58.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -785.040327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.040327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.040327 (E_RNA)
where:
Base-Base interactions energy: -508.625
where: short stacking energy: -265.292
Base-Backbone interact. energy: -0.999
local terms energy: -275.415969
where:
bonds (distance) C4'-P energy: -53.735
bonds (distance) P-C4' energy: -56.046
flat angles C4'-P-C4' energy: -55.839
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -63.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -707.265643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.265643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.265643 (E_RNA)
where:
Base-Base interactions energy: -442.798
where: short stacking energy: -210.500
Base-Backbone interact. energy: -0.298
local terms energy: -264.169899
where:
bonds (distance) C4'-P energy: -59.585
bonds (distance) P-C4' energy: -57.157
flat angles C4'-P-C4' energy: -54.311
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: -51.477
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: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -573.098486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.098486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.098486 (E_RNA)
where:
Base-Base interactions energy: -351.364
where: short stacking energy: -189.198
Base-Backbone interact. energy: -0.724
local terms energy: -221.010935
where:
bonds (distance) C4'-P energy: -43.743
bonds (distance) P-C4' energy: -54.993
flat angles C4'-P-C4' energy: -45.410
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -33.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -605.979375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.979375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.979375 (E_RNA)
where:
Base-Base interactions energy: -400.266
where: short stacking energy: -171.556
Base-Backbone interact. energy: 0.100
local terms energy: -205.813782
where:
bonds (distance) C4'-P energy: -52.139
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -56.722
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -27.841
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: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -468.565267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.565267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.565267 (E_RNA)
where:
Base-Base interactions energy: -268.185
where: short stacking energy: -149.191
Base-Backbone interact. energy: -0.963
local terms energy: -199.417428
where:
bonds (distance) C4'-P energy: -35.223
bonds (distance) P-C4' energy: -64.080
flat angles C4'-P-C4' energy: -45.381
flat angles P-C4'-P energy: -29.507
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -432.549183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.549183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.549183 (E_RNA)
where:
Base-Base interactions energy: -220.111
where: short stacking energy: -122.782
Base-Backbone interact. energy: -1.118
local terms energy: -211.319843
where:
bonds (distance) C4'-P energy: -44.750
bonds (distance) P-C4' energy: -62.048
flat angles C4'-P-C4' energy: -52.704
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -10.374
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: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -306.689246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.689246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.689246 (E_RNA)
where:
Base-Base interactions energy: -132.940
where: short stacking energy: -96.636
Base-Backbone interact. energy: 1.418
local terms energy: -175.166753
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -56.790
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: 1.207
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: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -948.533920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.533920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.533920 (E_RNA)
where:
Base-Base interactions energy: -647.822
where: short stacking energy: -283.538
Base-Backbone interact. energy: 1.008
local terms energy: -301.719994
where:
bonds (distance) C4'-P energy: -61.400
bonds (distance) P-C4' energy: -63.598
flat angles C4'-P-C4' energy: -68.828
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: -72.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -910.444572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.444572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.444572 (E_RNA)
where:
Base-Base interactions energy: -607.359
where: short stacking energy: -276.547
Base-Backbone interact. energy: -3.072
local terms energy: -300.013497
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -72.430
flat angles P-C4'-P energy: -50.143
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -771.753379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.753379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.753379 (E_RNA)
where:
Base-Base interactions energy: -495.825
where: short stacking energy: -231.124
Base-Backbone interact. energy: -3.252
local terms energy: -272.675906
where:
bonds (distance) C4'-P energy: -55.774
bonds (distance) P-C4' energy: -62.364
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -51.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -841.164269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.164269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.164269 (E_RNA)
where:
Base-Base interactions energy: -565.100
where: short stacking energy: -254.115
Base-Backbone interact. energy: -0.298
local terms energy: -275.765394
where:
bonds (distance) C4'-P energy: -52.026
bonds (distance) P-C4' energy: -52.833
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -63.819
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: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -707.718764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.718764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.718764 (E_RNA)
where:
Base-Base interactions energy: -455.585
where: short stacking energy: -223.077
Base-Backbone interact. energy: -0.547
local terms energy: -251.586781
where:
bonds (distance) C4'-P energy: -53.996
bonds (distance) P-C4' energy: -52.067
flat angles C4'-P-C4' energy: -61.871
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -44.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -581.897461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.897461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.897461 (E_RNA)
where:
Base-Base interactions energy: -341.850
where: short stacking energy: -197.446
Base-Backbone interact. energy: 1.276
local terms energy: -241.323671
where:
bonds (distance) C4'-P energy: -46.306
bonds (distance) P-C4' energy: -48.451
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -35.310
tors. eta vs tors. theta energy: -46.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -650.175154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.175154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.175154 (E_RNA)
where:
Base-Base interactions energy: -400.011
where: short stacking energy: -191.171
Base-Backbone interact. energy: 0.045
local terms energy: -250.209122
where:
bonds (distance) C4'-P energy: -51.843
bonds (distance) P-C4' energy: -53.757
flat angles C4'-P-C4' energy: -61.479
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -43.021
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: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -521.771268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.771268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.771268 (E_RNA)
where:
Base-Base interactions energy: -290.689
where: short stacking energy: -164.551
Base-Backbone interact. energy: -0.850
local terms energy: -230.232522
where:
bonds (distance) C4'-P energy: -60.018
bonds (distance) P-C4' energy: -54.150
flat angles C4'-P-C4' energy: -55.961
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -28.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -451.478751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.478751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.478751 (E_RNA)
where:
Base-Base interactions energy: -229.028
where: short stacking energy: -133.383
Base-Backbone interact. energy: -1.065
local terms energy: -221.386305
where:
bonds (distance) C4'-P energy: -52.906
bonds (distance) P-C4' energy: -57.778
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -32.889
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -279.213832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.213832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.213832 (E_RNA)
where:
Base-Base interactions energy: -119.251
where: short stacking energy: -78.040
Base-Backbone interact. energy: -1.058
local terms energy: -158.904682
where:
bonds (distance) C4'-P energy: -49.159
bonds (distance) P-C4' energy: -46.811
flat angles C4'-P-C4' energy: -46.533
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: 1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -946.275557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.275557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.275557 (E_RNA)
where:
Base-Base interactions energy: -667.985
where: short stacking energy: -275.292
Base-Backbone interact. energy: -0.645
local terms energy: -277.644966
where:
bonds (distance) C4'-P energy: -60.071
bonds (distance) P-C4' energy: -55.965
flat angles C4'-P-C4' energy: -52.388
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: -71.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -901.424300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.424300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.424300 (E_RNA)
where:
Base-Base interactions energy: -607.973
where: short stacking energy: -247.761
Base-Backbone interact. energy: -0.426
local terms energy: -293.024576
where:
bonds (distance) C4'-P energy: -64.684
bonds (distance) P-C4' energy: -66.040
flat angles C4'-P-C4' energy: -64.516
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -59.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -791.823146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.823146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.823146 (E_RNA)
where:
Base-Base interactions energy: -531.962
where: short stacking energy: -244.963
Base-Backbone interact. energy: -1.002
local terms energy: -258.859473
where:
bonds (distance) C4'-P energy: -55.975
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -56.914
flat angles P-C4'-P energy: -44.552
tors. eta vs tors. theta energy: -49.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -860.022548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.022548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.022548 (E_RNA)
where:
Base-Base interactions energy: -563.625
where: short stacking energy: -269.482
Base-Backbone interact. energy: -2.208
local terms energy: -294.189202
where:
bonds (distance) C4'-P energy: -58.396
bonds (distance) P-C4' energy: -57.767
flat angles C4'-P-C4' energy: -64.547
flat angles P-C4'-P energy: -39.313
tors. eta vs tors. theta energy: -74.165
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: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -771.280048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.280048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.280048 (E_RNA)
where:
Base-Base interactions energy: -493.864
where: short stacking energy: -251.922
Base-Backbone interact. energy: -1.693
local terms energy: -275.722869
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -55.332
flat angles C4'-P-C4' energy: -58.164
flat angles P-C4'-P energy: -42.799
tors. eta vs tors. theta energy: -62.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -634.720972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.720972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.720972 (E_RNA)
where:
Base-Base interactions energy: -395.621
where: short stacking energy: -198.864
Base-Backbone interact. energy: -0.687
local terms energy: -238.413698
where:
bonds (distance) C4'-P energy: -58.268
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -33.404
tors. eta vs tors. theta energy: -36.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -533.927605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.927605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.927605 (E_RNA)
where:
Base-Base interactions energy: -320.316
where: short stacking energy: -149.380
Base-Backbone interact. energy: -1.007
local terms energy: -212.604588
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -60.350
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -21.661
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: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -483.509896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.509896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.509896 (E_RNA)
where:
Base-Base interactions energy: -273.854
where: short stacking energy: -148.703
Base-Backbone interact. energy: -0.029
local terms energy: -209.627778
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -43.827
flat angles C4'-P-C4' energy: -46.798
flat angles P-C4'-P energy: -32.859
tors. eta vs tors. theta energy: -25.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -510.018780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.018780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.018780 (E_RNA)
where:
Base-Base interactions energy: -298.283
where: short stacking energy: -159.494
Base-Backbone interact. energy: -0.366
local terms energy: -211.369905
where:
bonds (distance) C4'-P energy: -50.773
bonds (distance) P-C4' energy: -52.611
flat angles C4'-P-C4' energy: -57.966
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -28.115
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: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -272.892740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.892740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.892740 (E_RNA)
where:
Base-Base interactions energy: -105.451
where: short stacking energy: -89.361
Base-Backbone interact. energy: -0.481
local terms energy: -166.960579
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -44.251
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -939.836861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.836861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.836861 (E_RNA)
where:
Base-Base interactions energy: -667.948
where: short stacking energy: -265.294
Base-Backbone interact. energy: -1.965
local terms energy: -269.924153
where:
bonds (distance) C4'-P energy: -57.512
bonds (distance) P-C4' energy: -51.290
flat angles C4'-P-C4' energy: -58.867
flat angles P-C4'-P energy: -38.854
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -884.720496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.720496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.720496 (E_RNA)
where:
Base-Base interactions energy: -614.189
where: short stacking energy: -244.599
Base-Backbone interact. energy: -0.827
local terms energy: -269.704682
where:
bonds (distance) C4'-P energy: -60.122
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -56.689
flat angles P-C4'-P energy: -36.129
tors. eta vs tors. theta energy: -56.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -900.527702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.527702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.527702 (E_RNA)
where:
Base-Base interactions energy: -607.046
where: short stacking energy: -264.817
Base-Backbone interact. energy: -1.474
local terms energy: -292.007517
where:
bonds (distance) C4'-P energy: -54.578
bonds (distance) P-C4' energy: -59.700
flat angles C4'-P-C4' energy: -62.754
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -71.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -759.915312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.915312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.915312 (E_RNA)
where:
Base-Base interactions energy: -488.360
where: short stacking energy: -242.819
Base-Backbone interact. energy: -1.886
local terms energy: -269.669256
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -62.553
flat angles C4'-P-C4' energy: -54.363
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -55.658
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: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -709.857813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.857813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.857813 (E_RNA)
where:
Base-Base interactions energy: -452.942
where: short stacking energy: -203.597
Base-Backbone interact. energy: -0.342
local terms energy: -256.573356
where:
bonds (distance) C4'-P energy: -53.695
bonds (distance) P-C4' energy: -64.921
flat angles C4'-P-C4' energy: -51.331
flat angles P-C4'-P energy: -43.370
tors. eta vs tors. theta energy: -43.257
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: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -672.438633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.438633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.438633 (E_RNA)
where:
Base-Base interactions energy: -406.109
where: short stacking energy: -192.532
Base-Backbone interact. energy: -0.603
local terms energy: -265.726516
where:
bonds (distance) C4'-P energy: -58.559
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -47.124
tors. eta vs tors. theta energy: -39.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -510.005189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.005189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.005189 (E_RNA)
where:
Base-Base interactions energy: -303.370
where: short stacking energy: -176.951
Base-Backbone interact. energy: -0.440
local terms energy: -206.196088
where:
bonds (distance) C4'-P energy: -49.763
bonds (distance) P-C4' energy: -46.760
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -488.783039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.783039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.783039 (E_RNA)
where:
Base-Base interactions energy: -254.455
where: short stacking energy: -149.562
Base-Backbone interact. energy: -0.360
local terms energy: -233.968704
where:
bonds (distance) C4'-P energy: -62.416
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -40.171
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -505.234531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.234531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.234531 (E_RNA)
where:
Base-Base interactions energy: -282.153
where: short stacking energy: -150.084
Base-Backbone interact. energy: 3.616
local terms energy: -226.697416
where:
bonds (distance) C4'-P energy: -52.293
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -37.153
tors. eta vs tors. theta energy: -29.953
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: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -269.228962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.228962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.228962 (E_RNA)
where:
Base-Base interactions energy: -119.121
where: short stacking energy: -92.044
Base-Backbone interact. energy: -0.746
local terms energy: -149.362050
where:
bonds (distance) C4'-P energy: -49.571
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: 8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -947.778178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.778178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.778178 (E_RNA)
where:
Base-Base interactions energy: -671.422
where: short stacking energy: -270.825
Base-Backbone interact. energy: 1.093
local terms energy: -277.449270
where:
bonds (distance) C4'-P energy: -58.503
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -60.485
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -65.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -923.021818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.021818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.021818 (E_RNA)
where:
Base-Base interactions energy: -620.368
where: short stacking energy: -272.307
Base-Backbone interact. energy: -1.396
local terms energy: -301.258069
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -56.741
flat angles C4'-P-C4' energy: -60.579
flat angles P-C4'-P energy: -50.250
tors. eta vs tors. theta energy: -76.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -871.700776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.700776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.700776 (E_RNA)
where:
Base-Base interactions energy: -593.036
where: short stacking energy: -249.365
Base-Backbone interact. energy: -1.636
local terms energy: -277.028365
where:
bonds (distance) C4'-P energy: -52.580
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -63.441
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -65.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -788.776975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.776975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.776975 (E_RNA)
where:
Base-Base interactions energy: -518.194
where: short stacking energy: -250.630
Base-Backbone interact. energy: -0.534
local terms energy: -270.049123
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -61.010
flat angles C4'-P-C4' energy: -64.491
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -61.212
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: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -787.150610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.150610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.150610 (E_RNA)
where:
Base-Base interactions energy: -519.278
where: short stacking energy: -244.131
Base-Backbone interact. energy: 4.887
local terms energy: -272.759364
where:
bonds (distance) C4'-P energy: -56.069
bonds (distance) P-C4' energy: -59.395
flat angles C4'-P-C4' energy: -66.101
flat angles P-C4'-P energy: -32.613
tors. eta vs tors. theta energy: -58.580
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: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -557.220685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.220685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.220685 (E_RNA)
where:
Base-Base interactions energy: -339.346
where: short stacking energy: -179.685
Base-Backbone interact. energy: -3.044
local terms energy: -214.830465
where:
bonds (distance) C4'-P energy: -51.288
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -52.745
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -34.165
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: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -654.290652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.290652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.290652 (E_RNA)
where:
Base-Base interactions energy: -428.827
where: short stacking energy: -197.584
Base-Backbone interact. energy: -1.536
local terms energy: -223.927623
where:
bonds (distance) C4'-P energy: -57.741
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -51.437
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -32.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -451.944431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.944431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.944431 (E_RNA)
where:
Base-Base interactions energy: -247.545
where: short stacking energy: -135.747
Base-Backbone interact. energy: 1.122
local terms energy: -205.521698
where:
bonds (distance) C4'-P energy: -49.545
bonds (distance) P-C4' energy: -53.813
flat angles C4'-P-C4' energy: -52.312
flat angles P-C4'-P energy: -29.254
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -482.384830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.384830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.384830 (E_RNA)
where:
Base-Base interactions energy: -275.894
where: short stacking energy: -149.190
Base-Backbone interact. energy: -1.262
local terms energy: -205.228465
where:
bonds (distance) C4'-P energy: -39.601
bonds (distance) P-C4' energy: -49.022
flat angles C4'-P-C4' energy: -54.132
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -36.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -271.871180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.871180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.871180 (E_RNA)
where:
Base-Base interactions energy: -120.507
where: short stacking energy: -83.719
Base-Backbone interact. energy: 0.125
local terms energy: -151.489393
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -55.143
flat angles C4'-P-C4' energy: -47.830
flat angles P-C4'-P energy: -28.099
tors. eta vs tors. theta energy: 7.391
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: 22
Temperature: 0.900000
Total energy: -941.970112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.970112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.970112 (E_RNA)
where:
Base-Base interactions energy: -637.401
where: short stacking energy: -283.839
Base-Backbone interact. energy: -3.073
local terms energy: -301.496149
where:
bonds (distance) C4'-P energy: -65.437
bonds (distance) P-C4' energy: -70.434
flat angles C4'-P-C4' energy: -60.619
flat angles P-C4'-P energy: -43.215
tors. eta vs tors. theta energy: -61.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -932.751008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.751008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.751008 (E_RNA)
where:
Base-Base interactions energy: -634.078
where: short stacking energy: -310.817
Base-Backbone interact. energy: -0.226
local terms energy: -298.446996
where:
bonds (distance) C4'-P energy: -53.254
bonds (distance) P-C4' energy: -58.500
flat angles C4'-P-C4' energy: -65.700
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -79.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -862.667121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.667121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.667121 (E_RNA)
where:
Base-Base interactions energy: -579.745
where: short stacking energy: -242.247
Base-Backbone interact. energy: 0.524
local terms energy: -283.445656
where:
bonds (distance) C4'-P energy: -66.693
bonds (distance) P-C4' energy: -62.502
flat angles C4'-P-C4' energy: -63.584
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -55.008
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: 22
Temperature: 1.050000
Total energy: -771.932549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.932549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.932549 (E_RNA)
where:
Base-Base interactions energy: -500.292
where: short stacking energy: -255.640
Base-Backbone interact. energy: -0.673
local terms energy: -270.967890
where:
bonds (distance) C4'-P energy: -53.075
bonds (distance) P-C4' energy: -57.771
flat angles C4'-P-C4' energy: -57.496
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -60.947
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: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -786.183184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.183184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.183184 (E_RNA)
where:
Base-Base interactions energy: -522.834
where: short stacking energy: -221.993
Base-Backbone interact. energy: -0.677
local terms energy: -262.671671
where:
bonds (distance) C4'-P energy: -54.498
bonds (distance) P-C4' energy: -64.802
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -46.386
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: 22
Temperature: 1.150000
Total energy: -651.300781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.300781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.300781 (E_RNA)
where:
Base-Base interactions energy: -398.223
where: short stacking energy: -181.812
Base-Backbone interact. energy: 2.257
local terms energy: -255.334057
where:
bonds (distance) C4'-P energy: -48.786
bonds (distance) P-C4' energy: -60.313
flat angles C4'-P-C4' energy: -65.501
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -41.947
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: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -708.758212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.758212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.758212 (E_RNA)
where:
Base-Base interactions energy: -463.189
where: short stacking energy: -203.769
Base-Backbone interact. energy: -1.447
local terms energy: -244.122330
where:
bonds (distance) C4'-P energy: -48.326
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -40.257
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: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -474.465429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.465429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.465429 (E_RNA)
where:
Base-Base interactions energy: -266.283
where: short stacking energy: -135.582
Base-Backbone interact. energy: -1.912
local terms energy: -206.271248
where:
bonds (distance) C4'-P energy: -46.582
bonds (distance) P-C4' energy: -66.454
flat angles C4'-P-C4' energy: -53.323
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -524.394811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.394811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.394811 (E_RNA)
where:
Base-Base interactions energy: -293.546
where: short stacking energy: -163.119
Base-Backbone interact. energy: -0.538
local terms energy: -230.311493
where:
bonds (distance) C4'-P energy: -61.344
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -26.516
tors. eta vs tors. theta energy: -40.287
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: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -290.475169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.475169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.475169 (E_RNA)
where:
Base-Base interactions energy: -116.734
where: short stacking energy: -83.590
Base-Backbone interact. energy: -0.908
local terms energy: -172.833428
where:
bonds (distance) C4'-P energy: -42.508
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -49.235
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: 13.944
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: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -978.213442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.213442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.213442 (E_RNA)
where:
Base-Base interactions energy: -676.562
where: short stacking energy: -285.510
Base-Backbone interact. energy: -1.631
local terms energy: -300.020269
where:
bonds (distance) C4'-P energy: -70.514
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -37.862
tors. eta vs tors. theta energy: -67.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -944.930964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.930964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.930964 (E_RNA)
where:
Base-Base interactions energy: -657.866
where: short stacking energy: -304.552
Base-Backbone interact. energy: 3.103
local terms energy: -290.168134
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -59.245
flat angles C4'-P-C4' energy: -68.045
flat angles P-C4'-P energy: -43.024
tors. eta vs tors. theta energy: -66.853
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: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -900.796527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.796527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.796527 (E_RNA)
where:
Base-Base interactions energy: -606.794
where: short stacking energy: -258.083
Base-Backbone interact. energy: -1.113
local terms energy: -292.889499
where:
bonds (distance) C4'-P energy: -61.037
bonds (distance) P-C4' energy: -52.874
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -49.598
tors. eta vs tors. theta energy: -69.984
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -823.783466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.783466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.783466 (E_RNA)
where:
Base-Base interactions energy: -547.603
where: short stacking energy: -239.289
Base-Backbone interact. energy: -2.172
local terms energy: -274.008302
where:
bonds (distance) C4'-P energy: -51.326
bonds (distance) P-C4' energy: -58.379
flat angles C4'-P-C4' energy: -66.274
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -58.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -723.101032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.101032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.101032 (E_RNA)
where:
Base-Base interactions energy: -457.530
where: short stacking energy: -201.615
Base-Backbone interact. energy: -0.853
local terms energy: -264.718168
where:
bonds (distance) C4'-P energy: -60.088
bonds (distance) P-C4' energy: -57.951
flat angles C4'-P-C4' energy: -63.890
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -49.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -705.852825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.852825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.852825 (E_RNA)
where:
Base-Base interactions energy: -450.265
where: short stacking energy: -212.187
Base-Backbone interact. energy: 2.141
local terms energy: -257.729198
where:
bonds (distance) C4'-P energy: -53.250
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -51.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -653.026813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.026813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.026813 (E_RNA)
where:
Base-Base interactions energy: -442.981
where: short stacking energy: -197.605
Base-Backbone interact. energy: 0.917
local terms energy: -210.962801
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -46.271
flat angles P-C4'-P energy: -32.181
tors. eta vs tors. theta energy: -31.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -568.588832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.588832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.588832 (E_RNA)
where:
Base-Base interactions energy: -342.368
where: short stacking energy: -179.832
Base-Backbone interact. energy: 0.083
local terms energy: -226.303439
where:
bonds (distance) C4'-P energy: -56.854
bonds (distance) P-C4' energy: -49.157
flat angles C4'-P-C4' energy: -53.705
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -40.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -430.281287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.281287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.281287 (E_RNA)
where:
Base-Base interactions energy: -234.647
where: short stacking energy: -119.215
Base-Backbone interact. energy: 0.476
local terms energy: -196.110477
where:
bonds (distance) C4'-P energy: -60.618
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -44.622
flat angles P-C4'-P energy: -34.545
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -275.275636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.275636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.275636 (E_RNA)
where:
Base-Base interactions energy: -114.386
where: short stacking energy: -99.668
Base-Backbone interact. energy: -0.969
local terms energy: -159.920687
where:
bonds (distance) C4'-P energy: -44.152
bonds (distance) P-C4' energy: -57.269
flat angles C4'-P-C4' energy: -41.366
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -2.408
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: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -962.082787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.082787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.082787 (E_RNA)
where:
Base-Base interactions energy: -653.468
where: short stacking energy: -290.810
Base-Backbone interact. energy: -2.574
local terms energy: -306.040932
where:
bonds (distance) C4'-P energy: -55.701
bonds (distance) P-C4' energy: -64.992
flat angles C4'-P-C4' energy: -69.570
flat angles P-C4'-P energy: -41.267
tors. eta vs tors. theta energy: -74.510
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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -940.031929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.031929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.031929 (E_RNA)
where:
Base-Base interactions energy: -639.429
where: short stacking energy: -295.918
Base-Backbone interact. energy: -0.496
local terms energy: -300.107213
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -61.412
flat angles C4'-P-C4' energy: -73.703
flat angles P-C4'-P energy: -37.232
tors. eta vs tors. theta energy: -71.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -908.843943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.843943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.843943 (E_RNA)
where:
Base-Base interactions energy: -618.700
where: short stacking energy: -261.508
Base-Backbone interact. energy: -1.312
local terms energy: -288.832267
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -63.245
flat angles C4'-P-C4' energy: -64.299
flat angles P-C4'-P energy: -49.956
tors. eta vs tors. theta energy: -62.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -858.068792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.068792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.068792 (E_RNA)
where:
Base-Base interactions energy: -573.321
where: short stacking energy: -253.989
Base-Backbone interact. energy: -0.157
local terms energy: -284.590514
where:
bonds (distance) C4'-P energy: -58.921
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -68.710
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -71.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -680.072944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.072944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.072944 (E_RNA)
where:
Base-Base interactions energy: -437.770
where: short stacking energy: -209.193
Base-Backbone interact. energy: -2.709
local terms energy: -239.594130
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -60.972
flat angles C4'-P-C4' energy: -62.528
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -43.779
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: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -711.081744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.081744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.081744 (E_RNA)
where:
Base-Base interactions energy: -470.987
where: short stacking energy: -226.919
Base-Backbone interact. energy: -3.236
local terms energy: -236.859127
where:
bonds (distance) C4'-P energy: -48.900
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -50.863
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -51.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -644.957802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.957802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.957802 (E_RNA)
where:
Base-Base interactions energy: -415.313
where: short stacking energy: -187.493
Base-Backbone interact. energy: 0.485
local terms energy: -230.129942
where:
bonds (distance) C4'-P energy: -55.715
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -60.690
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -512.884494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.884494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.884494 (E_RNA)
where:
Base-Base interactions energy: -289.182
where: short stacking energy: -158.028
Base-Backbone interact. energy: -1.256
local terms energy: -222.446030
where:
bonds (distance) C4'-P energy: -46.820
bonds (distance) P-C4' energy: -56.304
flat angles C4'-P-C4' energy: -55.395
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -36.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -452.774856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.774856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.774856 (E_RNA)
where:
Base-Base interactions energy: -247.488
where: short stacking energy: -136.769
Base-Backbone interact. energy: -0.959
local terms energy: -204.328392
where:
bonds (distance) C4'-P energy: -51.955
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -20.204
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: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -286.084433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.084433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.084433 (E_RNA)
where:
Base-Base interactions energy: -116.058
where: short stacking energy: -102.336
Base-Backbone interact. energy: 0.795
local terms energy: -170.821489
where:
bonds (distance) C4'-P energy: -51.841
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -965.495647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.495647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.495647 (E_RNA)
where:
Base-Base interactions energy: -659.268
where: short stacking energy: -281.495
Base-Backbone interact. energy: -3.101
local terms energy: -303.126824
where:
bonds (distance) C4'-P energy: -56.787
bonds (distance) P-C4' energy: -63.866
flat angles C4'-P-C4' energy: -71.309
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -73.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -896.547819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.547819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.547819 (E_RNA)
where:
Base-Base interactions energy: -613.765
where: short stacking energy: -263.209
Base-Backbone interact. energy: 2.189
local terms energy: -284.971483
where:
bonds (distance) C4'-P energy: -53.800
bonds (distance) P-C4' energy: -52.877
flat angles C4'-P-C4' energy: -63.983
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -72.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -930.008588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.008588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.008588 (E_RNA)
where:
Base-Base interactions energy: -640.892
where: short stacking energy: -276.396
Base-Backbone interact. energy: -1.074
local terms energy: -288.042798
where:
bonds (distance) C4'-P energy: -54.008
bonds (distance) P-C4' energy: -56.245
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -77.072
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: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -852.017453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.017453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.017453 (E_RNA)
where:
Base-Base interactions energy: -540.333
where: short stacking energy: -260.394
Base-Backbone interact. energy: -1.329
local terms energy: -310.355181
where:
bonds (distance) C4'-P energy: -50.271
bonds (distance) P-C4' energy: -68.559
flat angles C4'-P-C4' energy: -68.993
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -74.111
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: 25
Temperature: 1.100000
Total energy: -649.295457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.295457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.295457 (E_RNA)
where:
Base-Base interactions energy: -409.135
where: short stacking energy: -195.916
Base-Backbone interact. energy: -1.187
local terms energy: -238.973142
where:
bonds (distance) C4'-P energy: -46.343
bonds (distance) P-C4' energy: -64.022
flat angles C4'-P-C4' energy: -58.183
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: -33.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -716.828739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.828739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.828739 (E_RNA)
where:
Base-Base interactions energy: -464.458
where: short stacking energy: -202.598
Base-Backbone interact. energy: -1.296
local terms energy: -251.075364
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -45.673
flat angles P-C4'-P energy: -38.185
tors. eta vs tors. theta energy: -50.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -672.330659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.330659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.330659 (E_RNA)
where:
Base-Base interactions energy: -442.195
where: short stacking energy: -182.141
Base-Backbone interact. energy: 0.666
local terms energy: -230.801040
where:
bonds (distance) C4'-P energy: -37.057
bonds (distance) P-C4' energy: -66.815
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -33.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -560.946712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.946712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.946712 (E_RNA)
where:
Base-Base interactions energy: -326.423
where: short stacking energy: -180.637
Base-Backbone interact. energy: -0.159
local terms energy: -234.364616
where:
bonds (distance) C4'-P energy: -54.305
bonds (distance) P-C4' energy: -59.344
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -36.028
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: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -379.778511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.778511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.778511 (E_RNA)
where:
Base-Base interactions energy: -193.398
where: short stacking energy: -109.994
Base-Backbone interact. energy: -1.044
local terms energy: -185.336144
where:
bonds (distance) C4'-P energy: -52.540
bonds (distance) P-C4' energy: -52.802
flat angles C4'-P-C4' energy: -50.799
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -291.238427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.238427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.238427 (E_RNA)
where:
Base-Base interactions energy: -110.486
where: short stacking energy: -81.404
Base-Backbone interact. energy: 2.344
local terms energy: -183.097140
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -68.204
flat angles C4'-P-C4' energy: -45.484
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -942.516077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.516077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.516077 (E_RNA)
where:
Base-Base interactions energy: -646.187
where: short stacking energy: -278.358
Base-Backbone interact. energy: -2.900
local terms energy: -293.429034
where:
bonds (distance) C4'-P energy: -57.466
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -41.415
tors. eta vs tors. theta energy: -73.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -913.481162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.481162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.481162 (E_RNA)
where:
Base-Base interactions energy: -632.051
where: short stacking energy: -252.445
Base-Backbone interact. energy: -2.923
local terms energy: -278.507432
where:
bonds (distance) C4'-P energy: -60.216
bonds (distance) P-C4' energy: -61.206
flat angles C4'-P-C4' energy: -60.893
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -64.330
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: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -933.341466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.341466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.341466 (E_RNA)
where:
Base-Base interactions energy: -626.325
where: short stacking energy: -285.614
Base-Backbone interact. energy: -0.428
local terms energy: -306.588076
where:
bonds (distance) C4'-P energy: -60.763
bonds (distance) P-C4' energy: -59.348
flat angles C4'-P-C4' energy: -65.700
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -80.127
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: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -871.715520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.715520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.715520 (E_RNA)
where:
Base-Base interactions energy: -593.285
where: short stacking energy: -282.599
Base-Backbone interact. energy: -1.505
local terms energy: -276.926077
where:
bonds (distance) C4'-P energy: -48.693
bonds (distance) P-C4' energy: -60.685
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -38.836
tors. eta vs tors. theta energy: -67.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -683.101266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.101266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.101266 (E_RNA)
where:
Base-Base interactions energy: -451.412
where: short stacking energy: -206.129
Base-Backbone interact. energy: 1.641
local terms energy: -233.329521
where:
bonds (distance) C4'-P energy: -60.369
bonds (distance) P-C4' energy: -52.746
flat angles C4'-P-C4' energy: -46.894
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -46.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -660.951472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.951472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.951472 (E_RNA)
where:
Base-Base interactions energy: -442.779
where: short stacking energy: -208.285
Base-Backbone interact. energy: 2.686
local terms energy: -220.858087
where:
bonds (distance) C4'-P energy: -45.305
bonds (distance) P-C4' energy: -51.817
flat angles C4'-P-C4' energy: -51.456
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -40.796
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: 26
Temperature: 1.200000
Total energy: -683.480001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.480001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.480001 (E_RNA)
where:
Base-Base interactions energy: -438.443
where: short stacking energy: -190.313
Base-Backbone interact. energy: 1.962
local terms energy: -246.998670
where:
bonds (distance) C4'-P energy: -58.062
bonds (distance) P-C4' energy: -60.521
flat angles C4'-P-C4' energy: -54.848
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -43.735
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: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -592.157184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.157184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.157184 (E_RNA)
where:
Base-Base interactions energy: -359.014
where: short stacking energy: -180.749
Base-Backbone interact. energy: -0.444
local terms energy: -232.698990
where:
bonds (distance) C4'-P energy: -56.656
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -47.860
flat angles P-C4'-P energy: -42.611
tors. eta vs tors. theta energy: -29.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -381.113801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.113801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.113801 (E_RNA)
where:
Base-Base interactions energy: -212.002
where: short stacking energy: -119.996
Base-Backbone interact. energy: 1.725
local terms energy: -170.836807
where:
bonds (distance) C4'-P energy: -41.692
bonds (distance) P-C4' energy: -52.034
flat angles C4'-P-C4' energy: -46.369
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -13.137
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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -252.455684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.455684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.455684 (E_RNA)
where:
Base-Base interactions energy: -95.699
where: short stacking energy: -90.000
Base-Backbone interact. energy: 4.191
local terms energy: -160.947635
where:
bonds (distance) C4'-P energy: -51.742
bonds (distance) P-C4' energy: -55.319
flat angles C4'-P-C4' energy: -33.021
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: 10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -958.431338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.431338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.431338 (E_RNA)
where:
Base-Base interactions energy: -647.864
where: short stacking energy: -290.334
Base-Backbone interact. energy: -1.368
local terms energy: -309.199642
where:
bonds (distance) C4'-P energy: -67.630
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -65.550
flat angles P-C4'-P energy: -45.187
tors. eta vs tors. theta energy: -71.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -932.468111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.468111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.468111 (E_RNA)
where:
Base-Base interactions energy: -617.787
where: short stacking energy: -271.340
Base-Backbone interact. energy: -0.252
local terms energy: -314.428890
where:
bonds (distance) C4'-P energy: -60.020
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -71.563
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -66.822
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -915.174860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.174860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.174860 (E_RNA)
where:
Base-Base interactions energy: -628.039
where: short stacking energy: -252.958
Base-Backbone interact. energy: 1.329
local terms energy: -288.464456
where:
bonds (distance) C4'-P energy: -64.346
bonds (distance) P-C4' energy: -61.348
flat angles C4'-P-C4' energy: -63.743
flat angles P-C4'-P energy: -44.024
tors. eta vs tors. theta energy: -55.003
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: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -831.275623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.275623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.275623 (E_RNA)
where:
Base-Base interactions energy: -551.342
where: short stacking energy: -241.625
Base-Backbone interact. energy: -1.646
local terms energy: -278.287412
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -56.860
flat angles C4'-P-C4' energy: -61.973
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: -66.746
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: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -743.710600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.710600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.710600 (E_RNA)
where:
Base-Base interactions energy: -478.302
where: short stacking energy: -226.744
Base-Backbone interact. energy: -1.604
local terms energy: -263.804735
where:
bonds (distance) C4'-P energy: -57.456
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -65.035
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -52.462
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: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -708.592373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.592373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.592373 (E_RNA)
where:
Base-Base interactions energy: -457.090
where: short stacking energy: -207.305
Base-Backbone interact. energy: 0.112
local terms energy: -251.614329
where:
bonds (distance) C4'-P energy: -55.479
bonds (distance) P-C4' energy: -68.245
flat angles C4'-P-C4' energy: -55.343
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -40.113
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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -578.671455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.671455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.671455 (E_RNA)
where:
Base-Base interactions energy: -365.480
where: short stacking energy: -155.353
Base-Backbone interact. energy: -1.329
local terms energy: -211.862523
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -32.476
tors. eta vs tors. theta energy: -34.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -519.362580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.362580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.362580 (E_RNA)
where:
Base-Base interactions energy: -305.278
where: short stacking energy: -165.126
Base-Backbone interact. energy: 1.472
local terms energy: -215.556661
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -49.642
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -32.259
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: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -398.215878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.215878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.215878 (E_RNA)
where:
Base-Base interactions energy: -212.958
where: short stacking energy: -130.395
Base-Backbone interact. energy: -0.556
local terms energy: -184.701425
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -57.128
flat angles C4'-P-C4' energy: -49.790
flat angles P-C4'-P energy: -24.478
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -277.446783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.446783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.446783 (E_RNA)
where:
Base-Base interactions energy: -104.648
where: short stacking energy: -99.903
Base-Backbone interact. energy: -0.388
local terms energy: -172.410341
where:
bonds (distance) C4'-P energy: -39.687
bonds (distance) P-C4' energy: -61.997
flat angles C4'-P-C4' energy: -49.694
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -1.414
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: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -955.598999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.598999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.598999 (E_RNA)
where:
Base-Base interactions energy: -647.986
where: short stacking energy: -292.928
Base-Backbone interact. energy: -1.851
local terms energy: -305.762194
where:
bonds (distance) C4'-P energy: -58.618
bonds (distance) P-C4' energy: -59.519
flat angles C4'-P-C4' energy: -68.856
flat angles P-C4'-P energy: -37.438
tors. eta vs tors. theta energy: -81.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -939.793077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.793077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.793077 (E_RNA)
where:
Base-Base interactions energy: -637.073
where: short stacking energy: -275.232
Base-Backbone interact. energy: -0.898
local terms energy: -301.821714
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -58.893
flat angles C4'-P-C4' energy: -66.667
flat angles P-C4'-P energy: -51.315
tors. eta vs tors. theta energy: -71.259
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: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -909.512664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.512664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.512664 (E_RNA)
where:
Base-Base interactions energy: -617.135
where: short stacking energy: -260.762
Base-Backbone interact. energy: -2.435
local terms energy: -289.942534
where:
bonds (distance) C4'-P energy: -55.275
bonds (distance) P-C4' energy: -62.183
flat angles C4'-P-C4' energy: -60.583
flat angles P-C4'-P energy: -48.001
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: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -794.928042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.928042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.928042 (E_RNA)
where:
Base-Base interactions energy: -524.236
where: short stacking energy: -261.544
Base-Backbone interact. energy: -1.347
local terms energy: -269.345515
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -63.605
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: -55.383
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: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -717.072095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.072095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.072095 (E_RNA)
where:
Base-Base interactions energy: -456.742
where: short stacking energy: -209.273
Base-Backbone interact. energy: -0.727
local terms energy: -259.602676
where:
bonds (distance) C4'-P energy: -53.454
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -55.018
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -45.561
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: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -699.770881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.770881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.770881 (E_RNA)
where:
Base-Base interactions energy: -442.507
where: short stacking energy: -205.196
Base-Backbone interact. energy: -0.077
local terms energy: -257.186796
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -59.996
flat angles C4'-P-C4' energy: -53.787
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -50.163
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: 28
Temperature: 1.200000
Total energy: -533.229703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.229703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.229703 (E_RNA)
where:
Base-Base interactions energy: -307.225
where: short stacking energy: -174.922
Base-Backbone interact. energy: -0.637
local terms energy: -225.368098
where:
bonds (distance) C4'-P energy: -52.037
bonds (distance) P-C4' energy: -57.211
flat angles C4'-P-C4' energy: -54.968
flat angles P-C4'-P energy: -27.999
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: 28
Temperature: 1.250000
Total energy: -613.922105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.922105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.922105 (E_RNA)
where:
Base-Base interactions energy: -406.216
where: short stacking energy: -173.809
Base-Backbone interact. energy: -0.310
local terms energy: -207.396215
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -49.682
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -24.306
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: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -466.509986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.509986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.509986 (E_RNA)
where:
Base-Base interactions energy: -270.175
where: short stacking energy: -133.794
Base-Backbone interact. energy: -2.814
local terms energy: -193.520303
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -53.513
flat angles P-C4'-P energy: -32.032
tors. eta vs tors. theta energy: -19.656
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: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -265.620526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.620526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.620526 (E_RNA)
where:
Base-Base interactions energy: -87.321
where: short stacking energy: -87.321
Base-Backbone interact. energy: 6.909
local terms energy: -185.207865
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -60.596
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -944.079273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.079273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.079273 (E_RNA)
where:
Base-Base interactions energy: -649.710
where: short stacking energy: -269.862
Base-Backbone interact. energy: -2.519
local terms energy: -291.849816
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -57.992
flat angles C4'-P-C4' energy: -66.420
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -73.071
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: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -958.125111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.125111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.125111 (E_RNA)
where:
Base-Base interactions energy: -652.138
where: short stacking energy: -275.884
Base-Backbone interact. energy: -0.692
local terms energy: -305.294572
where:
bonds (distance) C4'-P energy: -54.544
bonds (distance) P-C4' energy: -58.089
flat angles C4'-P-C4' energy: -64.345
flat angles P-C4'-P energy: -50.686
tors. eta vs tors. theta energy: -77.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -904.699922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.699922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.699922 (E_RNA)
where:
Base-Base interactions energy: -621.282
where: short stacking energy: -253.630
Base-Backbone interact. energy: -3.508
local terms energy: -279.909602
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -67.051
flat angles C4'-P-C4' energy: -55.227
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -64.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -780.572862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.572862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.572862 (E_RNA)
where:
Base-Base interactions energy: -500.955
where: short stacking energy: -235.305
Base-Backbone interact. energy: 0.831
local terms energy: -280.448786
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -58.941
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -43.273
tors. eta vs tors. theta energy: -57.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -731.485681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.485681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.485681 (E_RNA)
where:
Base-Base interactions energy: -491.017
where: short stacking energy: -230.740
Base-Backbone interact. energy: -2.070
local terms energy: -238.399307
where:
bonds (distance) C4'-P energy: -49.542
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -66.415
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -40.172
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: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -717.306452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.306452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.306452 (E_RNA)
where:
Base-Base interactions energy: -446.567
where: short stacking energy: -208.752
Base-Backbone interact. energy: 0.562
local terms energy: -271.302021
where:
bonds (distance) C4'-P energy: -55.212
bonds (distance) P-C4' energy: -63.504
flat angles C4'-P-C4' energy: -62.760
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -48.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -543.437903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.437903 (E_RNA)
where:
Base-Base interactions energy: -312.702
where: short stacking energy: -169.302
Base-Backbone interact. energy: -0.659
local terms energy: -230.077161
where:
bonds (distance) C4'-P energy: -51.902
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -52.858
flat angles P-C4'-P energy: -41.074
tors. eta vs tors. theta energy: -26.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -669.530787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.530787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.530787 (E_RNA)
where:
Base-Base interactions energy: -445.339
where: short stacking energy: -211.512
Base-Backbone interact. energy: 0.125
local terms energy: -224.317264
where:
bonds (distance) C4'-P energy: -43.457
bonds (distance) P-C4' energy: -49.831
flat angles C4'-P-C4' energy: -48.675
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: -48.508
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: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -453.651137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.651137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.651137 (E_RNA)
where:
Base-Base interactions energy: -265.928
where: short stacking energy: -128.580
Base-Backbone interact. energy: -2.351
local terms energy: -185.372847
where:
bonds (distance) C4'-P energy: -58.556
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -46.744
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: 2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -256.717219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.717219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.717219 (E_RNA)
where:
Base-Base interactions energy: -94.521
where: short stacking energy: -75.807
Base-Backbone interact. energy: -0.137
local terms energy: -162.059464
where:
bonds (distance) C4'-P energy: -53.320
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -40.348
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: 6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -968.745891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.745891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.745891 (E_RNA)
where:
Base-Base interactions energy: -662.028
where: short stacking energy: -283.134
Base-Backbone interact. energy: -2.733
local terms energy: -303.985088
where:
bonds (distance) C4'-P energy: -57.588
bonds (distance) P-C4' energy: -66.344
flat angles C4'-P-C4' energy: -66.769
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: -66.468
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: 2, replica: 10
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -924.629018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.629018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.629018 (E_RNA)
where:
Base-Base interactions energy: -622.132
where: short stacking energy: -269.187
Base-Backbone interact. energy: -1.817
local terms energy: -300.680513
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -66.506
flat angles C4'-P-C4' energy: -62.373
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -69.135
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: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -937.475488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.475488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.475488 (E_RNA)
where:
Base-Base interactions energy: -644.561
where: short stacking energy: -282.321
Base-Backbone interact. energy: -3.516
local terms energy: -289.398559
where:
bonds (distance) C4'-P energy: -58.265
bonds (distance) P-C4' energy: -55.182
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -67.493
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: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -770.823577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.823577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.823577 (E_RNA)
where:
Base-Base interactions energy: -506.056
where: short stacking energy: -224.426
Base-Backbone interact. energy: 0.223
local terms energy: -264.990434
where:
bonds (distance) C4'-P energy: -55.950
bonds (distance) P-C4' energy: -60.014
flat angles C4'-P-C4' energy: -59.056
flat angles P-C4'-P energy: -36.660
tors. eta vs tors. theta energy: -53.311
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: 30
Temperature: 1.100000
Total energy: -773.213137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.213137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.213137 (E_RNA)
where:
Base-Base interactions energy: -522.322
where: short stacking energy: -236.939
Base-Backbone interact. energy: -0.875
local terms energy: -250.016250
where:
bonds (distance) C4'-P energy: -61.932
bonds (distance) P-C4' energy: -53.570
flat angles C4'-P-C4' energy: -62.586
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -45.779
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: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -714.758743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.758743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.758743 (E_RNA)
where:
Base-Base interactions energy: -467.441
where: short stacking energy: -230.825
Base-Backbone interact. energy: -2.183
local terms energy: -245.134720
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -57.166
flat angles C4'-P-C4' energy: -45.474
flat angles P-C4'-P energy: -39.668
tors. eta vs tors. theta energy: -57.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -718.567626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.567626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.567626 (E_RNA)
where:
Base-Base interactions energy: -474.618
where: short stacking energy: -213.791
Base-Backbone interact. energy: -1.029
local terms energy: -242.920684
where:
bonds (distance) C4'-P energy: -34.789
bonds (distance) P-C4' energy: -53.925
flat angles C4'-P-C4' energy: -63.714
flat angles P-C4'-P energy: -35.828
tors. eta vs tors. theta energy: -54.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -575.324510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.324510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.324510 (E_RNA)
where:
Base-Base interactions energy: -358.333
where: short stacking energy: -187.607
Base-Backbone interact. energy: -0.823
local terms energy: -216.169079
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -59.711
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -35.584
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: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -453.732215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.732215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.732215 (E_RNA)
where:
Base-Base interactions energy: -270.480
where: short stacking energy: -129.465
Base-Backbone interact. energy: -1.215
local terms energy: -182.037485
where:
bonds (distance) C4'-P energy: -44.306
bonds (distance) P-C4' energy: -52.405
flat angles C4'-P-C4' energy: -51.442
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -10.373
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: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -272.139941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.139941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.139941 (E_RNA)
where:
Base-Base interactions energy: -107.430
where: short stacking energy: -92.846
Base-Backbone interact. energy: 4.226
local terms energy: -168.936522
where:
bonds (distance) C4'-P energy: -55.238
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: 6.981
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: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -988.966697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.966697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.966697 (E_RNA)
where:
Base-Base interactions energy: -681.282
where: short stacking energy: -284.324
Base-Backbone interact. energy: -3.235
local terms energy: -304.449077
where:
bonds (distance) C4'-P energy: -55.411
bonds (distance) P-C4' energy: -65.141
flat angles C4'-P-C4' energy: -57.598
flat angles P-C4'-P energy: -51.882
tors. eta vs tors. theta energy: -74.418
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: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -937.177445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.177445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.177445 (E_RNA)
where:
Base-Base interactions energy: -647.016
where: short stacking energy: -289.829
Base-Backbone interact. energy: -0.512
local terms energy: -289.649296
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -58.629
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -72.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -934.109882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.109882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.109882 (E_RNA)
where:
Base-Base interactions energy: -641.847
where: short stacking energy: -273.508
Base-Backbone interact. energy: -4.325
local terms energy: -287.938698
where:
bonds (distance) C4'-P energy: -54.428
bonds (distance) P-C4' energy: -62.282
flat angles C4'-P-C4' energy: -58.581
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -66.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -817.432455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.432455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.432455 (E_RNA)
where:
Base-Base interactions energy: -511.903
where: short stacking energy: -242.736
Base-Backbone interact. energy: -1.423
local terms energy: -304.106587
where:
bonds (distance) C4'-P energy: -60.329
bonds (distance) P-C4' energy: -61.956
flat angles C4'-P-C4' energy: -70.386
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -72.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -762.947631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.947631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.947631 (E_RNA)
where:
Base-Base interactions energy: -501.589
where: short stacking energy: -227.379
Base-Backbone interact. energy: -1.283
local terms energy: -260.075339
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -63.436
flat angles C4'-P-C4' energy: -67.012
flat angles P-C4'-P energy: -30.125
tors. eta vs tors. theta energy: -46.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -759.567334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.567334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.567334 (E_RNA)
where:
Base-Base interactions energy: -501.183
where: short stacking energy: -226.011
Base-Backbone interact. energy: -1.236
local terms energy: -257.148152
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -52.650
flat angles C4'-P-C4' energy: -69.428
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -49.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -640.134911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.134911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.134911 (E_RNA)
where:
Base-Base interactions energy: -415.583
where: short stacking energy: -207.189
Base-Backbone interact. energy: 0.516
local terms energy: -225.067887
where:
bonds (distance) C4'-P energy: -50.837
bonds (distance) P-C4' energy: -46.632
flat angles C4'-P-C4' energy: -47.854
flat angles P-C4'-P energy: -34.715
tors. eta vs tors. theta energy: -45.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -656.938056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.938056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.938056 (E_RNA)
where:
Base-Base interactions energy: -441.774
where: short stacking energy: -205.485
Base-Backbone interact. energy: -2.098
local terms energy: -213.065509
where:
bonds (distance) C4'-P energy: -48.965
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -41.065
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -47.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -442.127947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.127947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.127947 (E_RNA)
where:
Base-Base interactions energy: -243.897
where: short stacking energy: -127.741
Base-Backbone interact. energy: -0.756
local terms energy: -197.475154
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -62.516
flat angles C4'-P-C4' energy: -44.437
flat angles P-C4'-P energy: -27.079
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -270.017865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.017865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.017865 (E_RNA)
where:
Base-Base interactions energy: -100.663
where: short stacking energy: -86.237
Base-Backbone interact. energy: -0.161
local terms energy: -169.193827
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -47.537
flat angles C4'-P-C4' energy: -53.022
flat angles P-C4'-P energy: -32.934
tors. eta vs tors. theta energy: 3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -968.412949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.412949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.412949 (E_RNA)
where:
Base-Base interactions energy: -671.960
where: short stacking energy: -298.093
Base-Backbone interact. energy: -2.018
local terms energy: -294.434616
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -68.536
flat angles C4'-P-C4' energy: -62.771
flat angles P-C4'-P energy: -35.563
tors. eta vs tors. theta energy: -74.885
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: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -978.840936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.840936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.840936 (E_RNA)
where:
Base-Base interactions energy: -672.881
where: short stacking energy: -282.715
Base-Backbone interact. energy: -1.462
local terms energy: -304.497541
where:
bonds (distance) C4'-P energy: -63.149
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -59.156
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -69.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -942.449430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.449430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.449430 (E_RNA)
where:
Base-Base interactions energy: -661.471
where: short stacking energy: -276.693
Base-Backbone interact. energy: -1.560
local terms energy: -279.418679
where:
bonds (distance) C4'-P energy: -47.230
bonds (distance) P-C4' energy: -62.743
flat angles C4'-P-C4' energy: -67.698
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -68.072
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: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -795.619265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.619265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.619265 (E_RNA)
where:
Base-Base interactions energy: -503.686
where: short stacking energy: -249.325
Base-Backbone interact. energy: -1.496
local terms energy: -290.437546
where:
bonds (distance) C4'-P energy: -54.878
bonds (distance) P-C4' energy: -58.539
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -44.011
tors. eta vs tors. theta energy: -63.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -786.231223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.231223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.231223 (E_RNA)
where:
Base-Base interactions energy: -527.863
where: short stacking energy: -232.186
Base-Backbone interact. energy: 1.361
local terms energy: -259.729078
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -56.318
flat angles C4'-P-C4' energy: -52.513
flat angles P-C4'-P energy: -44.512
tors. eta vs tors. theta energy: -55.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -740.963775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.963775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.963775 (E_RNA)
where:
Base-Base interactions energy: -502.445
where: short stacking energy: -205.120
Base-Backbone interact. energy: -0.821
local terms energy: -237.697422
where:
bonds (distance) C4'-P energy: -52.475
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -54.222
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -36.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -691.830282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.830282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.830282 (E_RNA)
where:
Base-Base interactions energy: -436.004
where: short stacking energy: -226.422
Base-Backbone interact. energy: -0.348
local terms energy: -255.478705
where:
bonds (distance) C4'-P energy: -52.751
bonds (distance) P-C4' energy: -60.811
flat angles C4'-P-C4' energy: -64.438
flat angles P-C4'-P energy: -31.110
tors. eta vs tors. theta energy: -46.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -625.167245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.167245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.167245 (E_RNA)
where:
Base-Base interactions energy: -389.311
where: short stacking energy: -188.283
Base-Backbone interact. energy: -1.258
local terms energy: -234.597631
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -57.311
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -40.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -459.436555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.436555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.436555 (E_RNA)
where:
Base-Base interactions energy: -263.915
where: short stacking energy: -154.461
Base-Backbone interact. energy: 2.306
local terms energy: -197.827895
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -43.384
flat angles C4'-P-C4' energy: -50.018
flat angles P-C4'-P energy: -26.863
tors. eta vs tors. theta energy: -32.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -289.071898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.071898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.071898 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -89.409
Base-Backbone interact. energy: 0.948
local terms energy: -148.537305
where:
bonds (distance) C4'-P energy: -40.598
bonds (distance) P-C4' energy: -56.678
flat angles C4'-P-C4' energy: -42.658
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: 5.403
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: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -966.232233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.232233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.232233 (E_RNA)
where:
Base-Base interactions energy: -667.305
where: short stacking energy: -285.563
Base-Backbone interact. energy: -2.736
local terms energy: -296.191979
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -64.213
flat angles C4'-P-C4' energy: -66.463
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -69.616
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: 33
Temperature: 0.950000
Total energy: -942.975956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.975956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.975956 (E_RNA)
where:
Base-Base interactions energy: -660.386
where: short stacking energy: -258.237
Base-Backbone interact. energy: -0.904
local terms energy: -281.685787
where:
bonds (distance) C4'-P energy: -58.643
bonds (distance) P-C4' energy: -63.411
flat angles C4'-P-C4' energy: -61.787
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -63.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -934.941028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.941028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.941028 (E_RNA)
where:
Base-Base interactions energy: -644.817
where: short stacking energy: -272.274
Base-Backbone interact. energy: -1.440
local terms energy: -288.684063
where:
bonds (distance) C4'-P energy: -53.325
bonds (distance) P-C4' energy: -68.062
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -33.460
tors. eta vs tors. theta energy: -70.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -802.564212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.564212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.564212 (E_RNA)
where:
Base-Base interactions energy: -553.070
where: short stacking energy: -226.154
Base-Backbone interact. energy: -0.070
local terms energy: -249.424206
where:
bonds (distance) C4'-P energy: -54.711
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -60.218
flat angles P-C4'-P energy: -36.612
tors. eta vs tors. theta energy: -41.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -764.580881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.580881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.580881 (E_RNA)
where:
Base-Base interactions energy: -492.141
where: short stacking energy: -226.429
Base-Backbone interact. energy: -0.267
local terms energy: -272.172566
where:
bonds (distance) C4'-P energy: -57.295
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -61.756
flat angles P-C4'-P energy: -40.784
tors. eta vs tors. theta energy: -56.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -722.832950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.832950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.832950 (E_RNA)
where:
Base-Base interactions energy: -470.843
where: short stacking energy: -227.867
Base-Backbone interact. energy: -0.967
local terms energy: -251.023111
where:
bonds (distance) C4'-P energy: -43.515
bonds (distance) P-C4' energy: -47.429
flat angles C4'-P-C4' energy: -63.764
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -49.817
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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -681.571723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.571723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.571723 (E_RNA)
where:
Base-Base interactions energy: -446.972
where: short stacking energy: -215.582
Base-Backbone interact. energy: -0.044
local terms energy: -234.555548
where:
bonds (distance) C4'-P energy: -49.994
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -35.664
tors. eta vs tors. theta energy: -38.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -581.696319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.696319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.696319 (E_RNA)
where:
Base-Base interactions energy: -385.712
where: short stacking energy: -179.507
Base-Backbone interact. energy: -0.339
local terms energy: -195.645311
where:
bonds (distance) C4'-P energy: -43.722
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -51.376
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -25.559
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: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -453.496160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.496160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.496160 (E_RNA)
where:
Base-Base interactions energy: -252.531
where: short stacking energy: -117.343
Base-Backbone interact. energy: -0.436
local terms energy: -200.528771
where:
bonds (distance) C4'-P energy: -48.571
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -51.004
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -328.731363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.731363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.731363 (E_RNA)
where:
Base-Base interactions energy: -128.930
where: short stacking energy: -102.531
Base-Backbone interact. energy: -1.475
local terms energy: -198.326272
where:
bonds (distance) C4'-P energy: -55.513
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -62.515
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: 2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -973.885792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.885792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.885792 (E_RNA)
where:
Base-Base interactions energy: -663.799
where: short stacking energy: -279.137
Base-Backbone interact. energy: -2.461
local terms energy: -307.625487
where:
bonds (distance) C4'-P energy: -67.134
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -63.467
flat angles P-C4'-P energy: -41.633
tors. eta vs tors. theta energy: -69.962
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: 34
Temperature: 0.950000
Total energy: -934.404230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.404230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.404230 (E_RNA)
where:
Base-Base interactions energy: -637.264
where: short stacking energy: -270.203
Base-Backbone interact. energy: -0.890
local terms energy: -296.249797
where:
bonds (distance) C4'-P energy: -62.433
bonds (distance) P-C4' energy: -51.985
flat angles C4'-P-C4' energy: -66.854
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: -70.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -927.993641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.993641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.993641 (E_RNA)
where:
Base-Base interactions energy: -642.145
where: short stacking energy: -255.360
Base-Backbone interact. energy: 0.795
local terms energy: -286.642969
where:
bonds (distance) C4'-P energy: -57.668
bonds (distance) P-C4' energy: -53.272
flat angles C4'-P-C4' energy: -65.756
flat angles P-C4'-P energy: -49.535
tors. eta vs tors. theta energy: -60.412
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: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -818.344579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.344579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.344579 (E_RNA)
where:
Base-Base interactions energy: -546.325
where: short stacking energy: -252.892
Base-Backbone interact. energy: 0.343
local terms energy: -272.363379
where:
bonds (distance) C4'-P energy: -62.638
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -59.825
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: -57.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -732.544728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.544728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.544728 (E_RNA)
where:
Base-Base interactions energy: -476.225
where: short stacking energy: -237.466
Base-Backbone interact. energy: -0.743
local terms energy: -255.576647
where:
bonds (distance) C4'-P energy: -59.864
bonds (distance) P-C4' energy: -51.664
flat angles C4'-P-C4' energy: -58.144
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -48.412
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: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -753.541019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.541019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.541019 (E_RNA)
where:
Base-Base interactions energy: -498.571
where: short stacking energy: -233.380
Base-Backbone interact. energy: -0.145
local terms energy: -254.825113
where:
bonds (distance) C4'-P energy: -62.251
bonds (distance) P-C4' energy: -58.471
flat angles C4'-P-C4' energy: -57.311
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -55.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -702.235705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.235705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.235705 (E_RNA)
where:
Base-Base interactions energy: -475.808
where: short stacking energy: -208.823
Base-Backbone interact. energy: 5.133
local terms energy: -231.561124
where:
bonds (distance) C4'-P energy: -44.682
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -52.277
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -44.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -561.125742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.125742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.125742 (E_RNA)
where:
Base-Base interactions energy: -345.700
where: short stacking energy: -169.978
Base-Backbone interact. energy: -1.501
local terms energy: -213.924280
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -61.223
flat angles C4'-P-C4' energy: -43.242
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -28.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -442.835303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.835303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.835303 (E_RNA)
where:
Base-Base interactions energy: -269.073
where: short stacking energy: -133.133
Base-Backbone interact. energy: -3.187
local terms energy: -170.575808
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -46.526
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -31.561
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -239.443630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.443630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.443630 (E_RNA)
where:
Base-Base interactions energy: -82.042
where: short stacking energy: -71.107
Base-Backbone interact. energy: 4.649
local terms energy: -162.051383
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -45.376
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: 14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -980.510869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.510869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.510869 (E_RNA)
where:
Base-Base interactions energy: -664.710
where: short stacking energy: -285.931
Base-Backbone interact. energy: 4.016
local terms energy: -319.817357
where:
bonds (distance) C4'-P energy: -62.875
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -39.865
tors. eta vs tors. theta energy: -71.861
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: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -949.981790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.981790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.981790 (E_RNA)
where:
Base-Base interactions energy: -672.303
where: short stacking energy: -277.364
Base-Backbone interact. energy: 1.142
local terms energy: -278.820432
where:
bonds (distance) C4'-P energy: -57.451
bonds (distance) P-C4' energy: -61.066
flat angles C4'-P-C4' energy: -56.180
flat angles P-C4'-P energy: -44.422
tors. eta vs tors. theta energy: -59.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -884.137409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.137409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.137409 (E_RNA)
where:
Base-Base interactions energy: -601.730
where: short stacking energy: -255.265
Base-Backbone interact. energy: -0.608
local terms energy: -281.799612
where:
bonds (distance) C4'-P energy: -52.989
bonds (distance) P-C4' energy: -61.235
flat angles C4'-P-C4' energy: -58.731
flat angles P-C4'-P energy: -39.992
tors. eta vs tors. theta energy: -68.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -914.933364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.933364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.933364 (E_RNA)
where:
Base-Base interactions energy: -632.636
where: short stacking energy: -299.220
Base-Backbone interact. energy: -0.440
local terms energy: -281.857093
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -44.770
flat angles C4'-P-C4' energy: -64.004
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -78.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -739.480269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.480269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.480269 (E_RNA)
where:
Base-Base interactions energy: -485.675
where: short stacking energy: -244.576
Base-Backbone interact. energy: -0.584
local terms energy: -253.220863
where:
bonds (distance) C4'-P energy: -47.354
bonds (distance) P-C4' energy: -48.610
flat angles C4'-P-C4' energy: -58.636
flat angles P-C4'-P energy: -41.363
tors. eta vs tors. theta energy: -57.258
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: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -731.690558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.690558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.690558 (E_RNA)
where:
Base-Base interactions energy: -493.314
where: short stacking energy: -229.316
Base-Backbone interact. energy: -2.392
local terms energy: -235.985411
where:
bonds (distance) C4'-P energy: -52.115
bonds (distance) P-C4' energy: -57.042
flat angles C4'-P-C4' energy: -60.047
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -43.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -697.221084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.221084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.221084 (E_RNA)
where:
Base-Base interactions energy: -443.668
where: short stacking energy: -206.519
Base-Backbone interact. energy: 1.441
local terms energy: -254.993478
where:
bonds (distance) C4'-P energy: -57.074
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -56.719
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -44.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -576.942222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.942222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.942222 (E_RNA)
where:
Base-Base interactions energy: -358.770
where: short stacking energy: -156.666
Base-Backbone interact. energy: -2.046
local terms energy: -216.126577
where:
bonds (distance) C4'-P energy: -61.020
bonds (distance) P-C4' energy: -56.214
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -29.688
tors. eta vs tors. theta energy: -26.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -444.366702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.366702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.366702 (E_RNA)
where:
Base-Base interactions energy: -242.941
where: short stacking energy: -136.807
Base-Backbone interact. energy: 0.209
local terms energy: -201.634739
where:
bonds (distance) C4'-P energy: -49.136
bonds (distance) P-C4' energy: -55.181
flat angles C4'-P-C4' energy: -44.173
flat angles P-C4'-P energy: -31.886
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -326.788052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.788052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.788052 (E_RNA)
where:
Base-Base interactions energy: -122.514
where: short stacking energy: -72.764
Base-Backbone interact. energy: -0.271
local terms energy: -204.003128
where:
bonds (distance) C4'-P energy: -52.643
bonds (distance) P-C4' energy: -63.990
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -29.996
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -982.378095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.378095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.378095 (E_RNA)
where:
Base-Base interactions energy: -683.749
where: short stacking energy: -288.671
Base-Backbone interact. energy: -1.044
local terms energy: -297.585670
where:
bonds (distance) C4'-P energy: -58.156
bonds (distance) P-C4' energy: -61.825
flat angles C4'-P-C4' energy: -66.676
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -72.633
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: 36
Temperature: 0.950000
Total energy: -937.532773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.532773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.532773 (E_RNA)
where:
Base-Base interactions energy: -646.772
where: short stacking energy: -267.434
Base-Backbone interact. energy: -2.781
local terms energy: -287.979404
where:
bonds (distance) C4'-P energy: -56.715
bonds (distance) P-C4' energy: -56.529
flat angles C4'-P-C4' energy: -62.483
flat angles P-C4'-P energy: -41.715
tors. eta vs tors. theta energy: -70.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -945.381240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.381240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.381240 (E_RNA)
where:
Base-Base interactions energy: -643.876
where: short stacking energy: -294.074
Base-Backbone interact. energy: -1.790
local terms energy: -299.715886
where:
bonds (distance) C4'-P energy: -55.722
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -64.246
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -78.822
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: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -853.047390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.047390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.047390 (E_RNA)
where:
Base-Base interactions energy: -561.077
where: short stacking energy: -264.842
Base-Backbone interact. energy: 0.388
local terms energy: -292.358160
where:
bonds (distance) C4'-P energy: -54.203
bonds (distance) P-C4' energy: -62.156
flat angles C4'-P-C4' energy: -68.223
flat angles P-C4'-P energy: -39.337
tors. eta vs tors. theta energy: -68.439
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: 36
Temperature: 1.100000
Total energy: -764.577818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.577818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.577818 (E_RNA)
where:
Base-Base interactions energy: -510.958
where: short stacking energy: -218.295
Base-Backbone interact. energy: -0.575
local terms energy: -253.044214
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -51.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -738.145059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.145059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.145059 (E_RNA)
where:
Base-Base interactions energy: -481.185
where: short stacking energy: -225.988
Base-Backbone interact. energy: -1.001
local terms energy: -255.958595
where:
bonds (distance) C4'-P energy: -57.553
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -61.339
flat angles P-C4'-P energy: -33.179
tors. eta vs tors. theta energy: -54.064
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: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -681.460130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.460130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.460130 (E_RNA)
where:
Base-Base interactions energy: -444.228
where: short stacking energy: -213.387
Base-Backbone interact. energy: -0.021
local terms energy: -237.211611
where:
bonds (distance) C4'-P energy: -55.262
bonds (distance) P-C4' energy: -53.420
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -43.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -550.876397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.876397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.876397 (E_RNA)
where:
Base-Base interactions energy: -333.604
where: short stacking energy: -172.148
Base-Backbone interact. energy: -1.540
local terms energy: -215.732005
where:
bonds (distance) C4'-P energy: -54.397
bonds (distance) P-C4' energy: -53.610
flat angles C4'-P-C4' energy: -47.147
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -32.880
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: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -426.997781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.997781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.997781 (E_RNA)
where:
Base-Base interactions energy: -260.633
where: short stacking energy: -104.143
Base-Backbone interact. energy: -2.089
local terms energy: -164.275828
where:
bonds (distance) C4'-P energy: -47.467
bonds (distance) P-C4' energy: -44.218
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -30.294
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -297.325234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.325234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.325234 (E_RNA)
where:
Base-Base interactions energy: -137.661
where: short stacking energy: -80.079
Base-Backbone interact. energy: 0.734
local terms energy: -160.398960
where:
bonds (distance) C4'-P energy: -52.934
bonds (distance) P-C4' energy: -56.878
flat angles C4'-P-C4' energy: -41.789
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: 10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1008.483708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.483708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.483708 (E_RNA)
where:
Base-Base interactions energy: -693.142
where: short stacking energy: -286.666
Base-Backbone interact. energy: -0.138
local terms energy: -315.202909
where:
bonds (distance) C4'-P energy: -66.931
bonds (distance) P-C4' energy: -62.061
flat angles C4'-P-C4' energy: -65.063
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -75.326
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: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -982.815444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.815444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.815444 (E_RNA)
where:
Base-Base interactions energy: -664.934
where: short stacking energy: -313.691
Base-Backbone interact. energy: -0.525
local terms energy: -317.356825
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -59.313
flat angles C4'-P-C4' energy: -65.684
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -86.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -918.763722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.763722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.763722 (E_RNA)
where:
Base-Base interactions energy: -630.265
where: short stacking energy: -272.988
Base-Backbone interact. energy: -2.503
local terms energy: -285.995028
where:
bonds (distance) C4'-P energy: -63.139
bonds (distance) P-C4' energy: -53.447
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -45.763
tors. eta vs tors. theta energy: -62.938
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: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -833.947584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.947584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.947584 (E_RNA)
where:
Base-Base interactions energy: -559.179
where: short stacking energy: -260.697
Base-Backbone interact. energy: -0.895
local terms energy: -273.873662
where:
bonds (distance) C4'-P energy: -57.626
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -64.825
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: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -828.483857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.483857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.483857 (E_RNA)
where:
Base-Base interactions energy: -532.036
where: short stacking energy: -231.284
Base-Backbone interact. energy: -0.461
local terms energy: -295.987108
where:
bonds (distance) C4'-P energy: -55.236
bonds (distance) P-C4' energy: -68.215
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: -63.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -729.651836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.651836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.651836 (E_RNA)
where:
Base-Base interactions energy: -467.847
where: short stacking energy: -209.640
Base-Backbone interact. energy: 0.802
local terms energy: -262.606611
where:
bonds (distance) C4'-P energy: -56.779
bonds (distance) P-C4' energy: -57.464
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: -53.904
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: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -694.369702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.369702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.369702 (E_RNA)
where:
Base-Base interactions energy: -433.692
where: short stacking energy: -198.304
Base-Backbone interact. energy: -1.240
local terms energy: -259.438031
where:
bonds (distance) C4'-P energy: -56.985
bonds (distance) P-C4' energy: -60.184
flat angles C4'-P-C4' energy: -68.378
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -41.432
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: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -559.131378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.131378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.131378 (E_RNA)
where:
Base-Base interactions energy: -348.697
where: short stacking energy: -174.591
Base-Backbone interact. energy: -0.444
local terms energy: -209.991019
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -32.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -447.415221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.415221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.415221 (E_RNA)
where:
Base-Base interactions energy: -248.963
where: short stacking energy: -128.965
Base-Backbone interact. energy: -0.085
local terms energy: -198.367339
where:
bonds (distance) C4'-P energy: -51.937
bonds (distance) P-C4' energy: -58.641
flat angles C4'-P-C4' energy: -41.792
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -268.527378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.527378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.527378 (E_RNA)
where:
Base-Base interactions energy: -81.673
where: short stacking energy: -65.833
Base-Backbone interact. energy: -1.151
local terms energy: -185.703778
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -62.992
flat angles C4'-P-C4' energy: -42.127
flat angles P-C4'-P energy: -31.251
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1012.665200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.665200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.665200 (E_RNA)
where:
Base-Base interactions energy: -701.510
where: short stacking energy: -288.783
Base-Backbone interact. energy: 2.062
local terms energy: -313.217338
where:
bonds (distance) C4'-P energy: -58.220
bonds (distance) P-C4' energy: -65.763
flat angles C4'-P-C4' energy: -71.827
flat angles P-C4'-P energy: -40.693
tors. eta vs tors. theta energy: -76.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -977.381956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.381956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.381956 (E_RNA)
where:
Base-Base interactions energy: -668.581
where: short stacking energy: -297.538
Base-Backbone interact. energy: -1.060
local terms energy: -307.741660
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -52.709
flat angles C4'-P-C4' energy: -67.195
flat angles P-C4'-P energy: -54.415
tors. eta vs tors. theta energy: -86.168
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: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -916.587272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.587272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.587272 (E_RNA)
where:
Base-Base interactions energy: -626.729
where: short stacking energy: -282.865
Base-Backbone interact. energy: -3.510
local terms energy: -286.347715
where:
bonds (distance) C4'-P energy: -59.816
bonds (distance) P-C4' energy: -46.315
flat angles C4'-P-C4' energy: -63.270
flat angles P-C4'-P energy: -44.931
tors. eta vs tors. theta energy: -72.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -877.538705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.538705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.538705 (E_RNA)
where:
Base-Base interactions energy: -576.430
where: short stacking energy: -260.104
Base-Backbone interact. energy: -1.429
local terms energy: -299.679394
where:
bonds (distance) C4'-P energy: -61.223
bonds (distance) P-C4' energy: -59.116
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -75.002
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: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -841.251763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.251763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.251763 (E_RNA)
where:
Base-Base interactions energy: -547.176
where: short stacking energy: -244.869
Base-Backbone interact. energy: -1.136
local terms energy: -292.939967
where:
bonds (distance) C4'-P energy: -63.389
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -61.426
flat angles P-C4'-P energy: -43.213
tors. eta vs tors. theta energy: -68.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -769.813805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.813805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.813805 (E_RNA)
where:
Base-Base interactions energy: -495.009
where: short stacking energy: -232.505
Base-Backbone interact. energy: -1.120
local terms energy: -273.684537
where:
bonds (distance) C4'-P energy: -60.773
bonds (distance) P-C4' energy: -62.435
flat angles C4'-P-C4' energy: -64.593
flat angles P-C4'-P energy: -38.321
tors. eta vs tors. theta energy: -47.563
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: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -681.181983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.181983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.181983 (E_RNA)
where:
Base-Base interactions energy: -434.721
where: short stacking energy: -190.248
Base-Backbone interact. energy: -1.278
local terms energy: -245.182888
where:
bonds (distance) C4'-P energy: -53.377
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -40.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -544.355616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.355616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.355616 (E_RNA)
where:
Base-Base interactions energy: -319.525
where: short stacking energy: -159.999
Base-Backbone interact. energy: -1.390
local terms energy: -223.441114
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -56.941
flat angles C4'-P-C4' energy: -48.242
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -31.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -345.803558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.803558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.803558 (E_RNA)
where:
Base-Base interactions energy: -171.001
where: short stacking energy: -126.389
Base-Backbone interact. energy: 0.334
local terms energy: -175.136100
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -44.679
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -28.661
tors. eta vs tors. theta energy: -10.561
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: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -420.704633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.704633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.704633 (E_RNA)
where:
Base-Base interactions energy: -236.582
where: short stacking energy: -116.689
Base-Backbone interact. energy: -1.334
local terms energy: -182.788294
where:
bonds (distance) C4'-P energy: -45.920
bonds (distance) P-C4' energy: -57.373
flat angles C4'-P-C4' energy: -41.413
flat angles P-C4'-P energy: -33.904
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1017.054760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.054760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.054760 (E_RNA)
where:
Base-Base interactions energy: -708.158
where: short stacking energy: -292.721
Base-Backbone interact. energy: -2.303
local terms energy: -306.593742
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -61.058
flat angles C4'-P-C4' energy: -64.076
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -78.706
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -973.855525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.855525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.855525 (E_RNA)
where:
Base-Base interactions energy: -684.451
where: short stacking energy: -300.394
Base-Backbone interact. energy: -3.580
local terms energy: -285.824144
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -69.741
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -69.888
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: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -957.837679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.837679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.837679 (E_RNA)
where:
Base-Base interactions energy: -659.246
where: short stacking energy: -293.752
Base-Backbone interact. energy: -0.717
local terms energy: -297.874168
where:
bonds (distance) C4'-P energy: -53.145
bonds (distance) P-C4' energy: -53.014
flat angles C4'-P-C4' energy: -65.920
flat angles P-C4'-P energy: -42.105
tors. eta vs tors. theta energy: -83.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -865.855678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.855678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.855678 (E_RNA)
where:
Base-Base interactions energy: -594.403
where: short stacking energy: -247.569
Base-Backbone interact. energy: -1.282
local terms energy: -270.171119
where:
bonds (distance) C4'-P energy: -40.769
bonds (distance) P-C4' energy: -68.004
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -47.326
tors. eta vs tors. theta energy: -54.151
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: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -815.675538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.675538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.675538 (E_RNA)
where:
Base-Base interactions energy: -543.021
where: short stacking energy: -247.370
Base-Backbone interact. energy: 2.628
local terms energy: -275.282667
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -57.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -764.561278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.561278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.561278 (E_RNA)
where:
Base-Base interactions energy: -514.736
where: short stacking energy: -241.864
Base-Backbone interact. energy: -0.704
local terms energy: -249.121256
where:
bonds (distance) C4'-P energy: -57.443
bonds (distance) P-C4' energy: -43.277
flat angles C4'-P-C4' energy: -58.659
flat angles P-C4'-P energy: -37.182
tors. eta vs tors. theta energy: -52.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -702.941164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.941164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.941164 (E_RNA)
where:
Base-Base interactions energy: -448.924
where: short stacking energy: -210.935
Base-Backbone interact. energy: -1.245
local terms energy: -252.772274
where:
bonds (distance) C4'-P energy: -60.995
bonds (distance) P-C4' energy: -59.414
flat angles C4'-P-C4' energy: -54.818
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -38.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -560.810138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.810138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.810138 (E_RNA)
where:
Base-Base interactions energy: -339.565
where: short stacking energy: -161.440
Base-Backbone interact. energy: -0.869
local terms energy: -220.376088
where:
bonds (distance) C4'-P energy: -55.743
bonds (distance) P-C4' energy: -55.047
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -29.700
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: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -393.789798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.789798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.789798 (E_RNA)
where:
Base-Base interactions energy: -187.268
where: short stacking energy: -125.646
Base-Backbone interact. energy: 0.081
local terms energy: -206.602489
where:
bonds (distance) C4'-P energy: -52.283
bonds (distance) P-C4' energy: -62.906
flat angles C4'-P-C4' energy: -47.581
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -17.114
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: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -368.573137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.573137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.573137 (E_RNA)
where:
Base-Base interactions energy: -218.245
where: short stacking energy: -112.555
Base-Backbone interact. energy: -1.067
local terms energy: -149.260715
where:
bonds (distance) C4'-P energy: -47.816
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -40.104
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: 0.410
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: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1014.220176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.220176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.220176 (E_RNA)
where:
Base-Base interactions energy: -693.519
where: short stacking energy: -277.795
Base-Backbone interact. energy: 0.739
local terms energy: -321.439890
where:
bonds (distance) C4'-P energy: -68.233
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -59.647
flat angles P-C4'-P energy: -45.868
tors. eta vs tors. theta energy: -75.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1003.224252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.224252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.224252 (E_RNA)
where:
Base-Base interactions energy: -696.626
where: short stacking energy: -288.343
Base-Backbone interact. energy: -2.141
local terms energy: -304.457099
where:
bonds (distance) C4'-P energy: -57.768
bonds (distance) P-C4' energy: -54.590
flat angles C4'-P-C4' energy: -69.247
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: -73.036
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: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -916.990777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.990777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.990777 (E_RNA)
where:
Base-Base interactions energy: -627.493
where: short stacking energy: -269.511
Base-Backbone interact. energy: -0.882
local terms energy: -288.615306
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -54.565
flat angles C4'-P-C4' energy: -67.777
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -74.406
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: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -844.858184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.858184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.858184 (E_RNA)
where:
Base-Base interactions energy: -574.824
where: short stacking energy: -253.057
Base-Backbone interact. energy: 2.042
local terms energy: -272.076277
where:
bonds (distance) C4'-P energy: -54.760
bonds (distance) P-C4' energy: -59.264
flat angles C4'-P-C4' energy: -58.642
flat angles P-C4'-P energy: -40.395
tors. eta vs tors. theta energy: -59.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -827.840411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.840411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.840411 (E_RNA)
where:
Base-Base interactions energy: -545.481
where: short stacking energy: -248.683
Base-Backbone interact. energy: -0.094
local terms energy: -282.264645
where:
bonds (distance) C4'-P energy: -59.077
bonds (distance) P-C4' energy: -60.734
flat angles C4'-P-C4' energy: -51.067
flat angles P-C4'-P energy: -43.475
tors. eta vs tors. theta energy: -67.912
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: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -772.370995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.370995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.370995 (E_RNA)
where:
Base-Base interactions energy: -511.898
where: short stacking energy: -250.204
Base-Backbone interact. energy: -1.589
local terms energy: -258.883791
where:
bonds (distance) C4'-P energy: -59.123
bonds (distance) P-C4' energy: -51.752
flat angles C4'-P-C4' energy: -57.785
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: -57.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -642.009293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.009293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.009293 (E_RNA)
where:
Base-Base interactions energy: -396.958
where: short stacking energy: -195.949
Base-Backbone interact. energy: -0.680
local terms energy: -244.371210
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -51.322
flat angles C4'-P-C4' energy: -57.621
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -46.275
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: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -538.457024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.457024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.457024 (E_RNA)
where:
Base-Base interactions energy: -327.772
where: short stacking energy: -172.557
Base-Backbone interact. energy: 0.975
local terms energy: -211.659984
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -51.888
flat angles P-C4'-P energy: -33.135
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -402.801323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.801323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.801323 (E_RNA)
where:
Base-Base interactions energy: -203.090
where: short stacking energy: -126.301
Base-Backbone interact. energy: 0.260
local terms energy: -199.971006
where:
bonds (distance) C4'-P energy: -42.565
bonds (distance) P-C4' energy: -58.908
flat angles C4'-P-C4' energy: -54.753
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -327.729452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.729452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.729452 (E_RNA)
where:
Base-Base interactions energy: -152.972
where: short stacking energy: -79.782
Base-Backbone interact. energy: 3.724
local terms energy: -178.481184
where:
bonds (distance) C4'-P energy: -51.944
bonds (distance) P-C4' energy: -50.408
flat angles C4'-P-C4' energy: -50.951
flat angles P-C4'-P energy: -33.161
tors. eta vs tors. theta energy: 7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1024.276329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.276329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.276329 (E_RNA)
where:
Base-Base interactions energy: -718.151
where: short stacking energy: -290.367
Base-Backbone interact. energy: -1.319
local terms energy: -304.806045
where:
bonds (distance) C4'-P energy: -63.042
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -69.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1001.776912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.776912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.776912 (E_RNA)
where:
Base-Base interactions energy: -693.613
where: short stacking energy: -300.886
Base-Backbone interact. energy: -4.627
local terms energy: -303.537042
where:
bonds (distance) C4'-P energy: -55.939
bonds (distance) P-C4' energy: -63.502
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -53.096
tors. eta vs tors. theta energy: -71.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -931.805601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.805601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.805601 (E_RNA)
where:
Base-Base interactions energy: -628.979
where: short stacking energy: -307.478
Base-Backbone interact. energy: 1.038
local terms energy: -303.864406
where:
bonds (distance) C4'-P energy: -56.028
bonds (distance) P-C4' energy: -62.142
flat angles C4'-P-C4' energy: -64.153
flat angles P-C4'-P energy: -39.987
tors. eta vs tors. theta energy: -81.554
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: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -838.637596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.637596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.637596 (E_RNA)
where:
Base-Base interactions energy: -566.285
where: short stacking energy: -250.148
Base-Backbone interact. energy: -1.903
local terms energy: -270.450464
where:
bonds (distance) C4'-P energy: -54.223
bonds (distance) P-C4' energy: -55.501
flat angles C4'-P-C4' energy: -63.033
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -59.545
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: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -812.697720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.697720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.697720 (E_RNA)
where:
Base-Base interactions energy: -549.235
where: short stacking energy: -233.676
Base-Backbone interact. energy: -1.638
local terms energy: -261.825463
where:
bonds (distance) C4'-P energy: -64.409
bonds (distance) P-C4' energy: -53.643
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -38.555
tors. eta vs tors. theta energy: -45.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -779.744289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.744289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.744289 (E_RNA)
where:
Base-Base interactions energy: -517.446
where: short stacking energy: -237.664
Base-Backbone interact. energy: -3.241
local terms energy: -259.057795
where:
bonds (distance) C4'-P energy: -57.834
bonds (distance) P-C4' energy: -55.382
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: -54.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -677.705755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.705755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.705755 (E_RNA)
where:
Base-Base interactions energy: -448.323
where: short stacking energy: -202.448
Base-Backbone interact. energy: -1.942
local terms energy: -227.440798
where:
bonds (distance) C4'-P energy: -40.130
bonds (distance) P-C4' energy: -49.869
flat angles C4'-P-C4' energy: -60.126
flat angles P-C4'-P energy: -42.407
tors. eta vs tors. theta energy: -34.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -550.011297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.011297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.011297 (E_RNA)
where:
Base-Base interactions energy: -350.073
where: short stacking energy: -176.518
Base-Backbone interact. energy: -0.007
local terms energy: -199.931759
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -41.017
flat angles C4'-P-C4' energy: -54.489
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -32.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -382.491108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.491108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.491108 (E_RNA)
where:
Base-Base interactions energy: -196.804
where: short stacking energy: -132.070
Base-Backbone interact. energy: 4.178
local terms energy: -189.865232
where:
bonds (distance) C4'-P energy: -48.268
bonds (distance) P-C4' energy: -54.140
flat angles C4'-P-C4' energy: -59.885
flat angles P-C4'-P energy: -13.435
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: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -349.593938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.593938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.593938 (E_RNA)
where:
Base-Base interactions energy: -187.943
where: short stacking energy: -98.756
Base-Backbone interact. energy: 1.676
local terms energy: -163.326837
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -42.391
flat angles C4'-P-C4' energy: -45.347
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: 7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1031.374647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.374647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.374647 (E_RNA)
where:
Base-Base interactions energy: -738.911
where: short stacking energy: -302.080
Base-Backbone interact. energy: -1.440
local terms energy: -291.024075
where:
bonds (distance) C4'-P energy: -49.420
bonds (distance) P-C4' energy: -59.878
flat angles C4'-P-C4' energy: -68.547
flat angles P-C4'-P energy: -47.057
tors. eta vs tors. theta energy: -66.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1001.374276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.374276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.374276 (E_RNA)
where:
Base-Base interactions energy: -693.935
where: short stacking energy: -279.168
Base-Backbone interact. energy: 0.560
local terms energy: -308.000100
where:
bonds (distance) C4'-P energy: -62.292
bonds (distance) P-C4' energy: -63.972
flat angles C4'-P-C4' energy: -57.383
flat angles P-C4'-P energy: -47.716
tors. eta vs tors. theta energy: -76.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -909.726017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.726017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.726017 (E_RNA)
where:
Base-Base interactions energy: -619.573
where: short stacking energy: -290.776
Base-Backbone interact. energy: 0.021
local terms energy: -290.173601
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -56.090
flat angles C4'-P-C4' energy: -66.034
flat angles P-C4'-P energy: -40.386
tors. eta vs tors. theta energy: -71.608
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: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -877.127454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.127454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.127454 (E_RNA)
where:
Base-Base interactions energy: -586.197
where: short stacking energy: -257.408
Base-Backbone interact. energy: -1.037
local terms energy: -289.893180
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -64.669
flat angles C4'-P-C4' energy: -64.756
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -59.853
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: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -797.306725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.306725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.306725 (E_RNA)
where:
Base-Base interactions energy: -533.673
where: short stacking energy: -259.676
Base-Backbone interact. energy: -1.044
local terms energy: -262.590143
where:
bonds (distance) C4'-P energy: -52.813
bonds (distance) P-C4' energy: -47.913
flat angles C4'-P-C4' energy: -62.825
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -61.982
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: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -772.827028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.827028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.827028 (E_RNA)
where:
Base-Base interactions energy: -524.698
where: short stacking energy: -217.906
Base-Backbone interact. energy: -3.110
local terms energy: -245.019043
where:
bonds (distance) C4'-P energy: -45.286
bonds (distance) P-C4' energy: -53.476
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -54.595
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: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -675.513087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.513087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.513087 (E_RNA)
where:
Base-Base interactions energy: -432.630
where: short stacking energy: -197.499
Base-Backbone interact. energy: -0.484
local terms energy: -242.399491
where:
bonds (distance) C4'-P energy: -55.571
bonds (distance) P-C4' energy: -51.008
flat angles C4'-P-C4' energy: -53.344
flat angles P-C4'-P energy: -38.698
tors. eta vs tors. theta energy: -43.778
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: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -580.393094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.393094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.393094 (E_RNA)
where:
Base-Base interactions energy: -356.528
where: short stacking energy: -181.303
Base-Backbone interact. energy: -0.100
local terms energy: -223.764716
where:
bonds (distance) C4'-P energy: -53.828
bonds (distance) P-C4' energy: -60.270
flat angles C4'-P-C4' energy: -42.648
flat angles P-C4'-P energy: -34.105
tors. eta vs tors. theta energy: -32.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -352.254157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.254157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.254157 (E_RNA)
where:
Base-Base interactions energy: -165.914
where: short stacking energy: -108.170
Base-Backbone interact. energy: 0.200
local terms energy: -186.540888
where:
bonds (distance) C4'-P energy: -49.681
bonds (distance) P-C4' energy: -68.034
flat angles C4'-P-C4' energy: -30.087
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -345.833530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.833530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.833530 (E_RNA)
where:
Base-Base interactions energy: -177.253
where: short stacking energy: -111.571
Base-Backbone interact. energy: -0.379
local terms energy: -168.202153
where:
bonds (distance) C4'-P energy: -49.705
bonds (distance) P-C4' energy: -58.256
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1032.607181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.607181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.607181 (E_RNA)
where:
Base-Base interactions energy: -742.660
where: short stacking energy: -310.042
Base-Backbone interact. energy: -2.555
local terms energy: -287.392661
where:
bonds (distance) C4'-P energy: -57.657
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -57.396
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -70.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1007.567879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.567879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.567879 (E_RNA)
where:
Base-Base interactions energy: -707.012
where: short stacking energy: -284.670
Base-Backbone interact. energy: 0.748
local terms energy: -301.304359
where:
bonds (distance) C4'-P energy: -59.916
bonds (distance) P-C4' energy: -58.136
flat angles C4'-P-C4' energy: -68.203
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -76.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -933.603114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.603114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.603114 (E_RNA)
where:
Base-Base interactions energy: -633.870
where: short stacking energy: -276.553
Base-Backbone interact. energy: 0.189
local terms energy: -299.921643
where:
bonds (distance) C4'-P energy: -54.056
bonds (distance) P-C4' energy: -64.443
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -45.417
tors. eta vs tors. theta energy: -74.301
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: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -860.596037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.596037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.596037 (E_RNA)
where:
Base-Base interactions energy: -582.529
where: short stacking energy: -256.040
Base-Backbone interact. energy: -1.509
local terms energy: -276.557472
where:
bonds (distance) C4'-P energy: -43.954
bonds (distance) P-C4' energy: -58.026
flat angles C4'-P-C4' energy: -66.091
flat angles P-C4'-P energy: -46.124
tors. eta vs tors. theta energy: -62.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -833.480518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.480518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.480518 (E_RNA)
where:
Base-Base interactions energy: -556.148
where: short stacking energy: -252.683
Base-Backbone interact. energy: -0.720
local terms energy: -276.612730
where:
bonds (distance) C4'-P energy: -55.068
bonds (distance) P-C4' energy: -60.337
flat angles C4'-P-C4' energy: -59.170
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -60.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -725.495864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.495864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.495864 (E_RNA)
where:
Base-Base interactions energy: -453.870
where: short stacking energy: -240.990
Base-Backbone interact. energy: -0.560
local terms energy: -271.065969
where:
bonds (distance) C4'-P energy: -56.772
bonds (distance) P-C4' energy: -53.101
flat angles C4'-P-C4' energy: -61.328
flat angles P-C4'-P energy: -40.582
tors. eta vs tors. theta energy: -59.282
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: 43
Temperature: 1.200000
Total energy: -704.542166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.542166 (E_RNA)
where:
Base-Base interactions energy: -466.241
where: short stacking energy: -213.647
Base-Backbone interact. energy: 3.730
local terms energy: -242.030562
where:
bonds (distance) C4'-P energy: -45.440
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -60.381
flat angles P-C4'-P energy: -29.849
tors. eta vs tors. theta energy: -45.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -631.411965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.411965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.411965 (E_RNA)
where:
Base-Base interactions energy: -410.143
where: short stacking energy: -174.053
Base-Backbone interact. energy: -2.100
local terms energy: -219.169657
where:
bonds (distance) C4'-P energy: -53.249
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -50.323
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -32.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -357.039599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.039599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.039599 (E_RNA)
where:
Base-Base interactions energy: -180.216
where: short stacking energy: -102.538
Base-Backbone interact. energy: -0.728
local terms energy: -176.095110
where:
bonds (distance) C4'-P energy: -51.842
bonds (distance) P-C4' energy: -52.224
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -29.181
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -367.521093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.521093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.521093 (E_RNA)
where:
Base-Base interactions energy: -200.181
where: short stacking energy: -110.665
Base-Backbone interact. energy: -0.479
local terms energy: -166.861389
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -11.494
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: 44
Temperature: 0.900000
Total energy: -1044.704927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.704927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.704927 (E_RNA)
where:
Base-Base interactions energy: -740.936
where: short stacking energy: -301.500
Base-Backbone interact. energy: -2.935
local terms energy: -300.833601
where:
bonds (distance) C4'-P energy: -59.881
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -40.320
tors. eta vs tors. theta energy: -76.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1012.118964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.118964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.118964 (E_RNA)
where:
Base-Base interactions energy: -702.246
where: short stacking energy: -301.112
Base-Backbone interact. energy: -1.005
local terms energy: -308.868710
where:
bonds (distance) C4'-P energy: -63.235
bonds (distance) P-C4' energy: -64.896
flat angles C4'-P-C4' energy: -67.548
flat angles P-C4'-P energy: -37.964
tors. eta vs tors. theta energy: -75.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -919.683608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.683608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.683608 (E_RNA)
where:
Base-Base interactions energy: -611.160
where: short stacking energy: -281.847
Base-Backbone interact. energy: -1.416
local terms energy: -307.107119
where:
bonds (distance) C4'-P energy: -61.148
bonds (distance) P-C4' energy: -66.448
flat angles C4'-P-C4' energy: -65.427
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -74.223
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: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -829.534389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.534389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.534389 (E_RNA)
where:
Base-Base interactions energy: -556.919
where: short stacking energy: -243.362
Base-Backbone interact. energy: -1.947
local terms energy: -270.668784
where:
bonds (distance) C4'-P energy: -57.698
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -58.237
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -58.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -834.574105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.574105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.574105 (E_RNA)
where:
Base-Base interactions energy: -565.841
where: short stacking energy: -280.044
Base-Backbone interact. energy: 0.716
local terms energy: -269.449228
where:
bonds (distance) C4'-P energy: -58.050
bonds (distance) P-C4' energy: -43.554
flat angles C4'-P-C4' energy: -61.941
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -62.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -714.318213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.318213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.318213 (E_RNA)
where:
Base-Base interactions energy: -442.144
where: short stacking energy: -223.172
Base-Backbone interact. energy: 1.291
local terms energy: -273.465088
where:
bonds (distance) C4'-P energy: -49.761
bonds (distance) P-C4' energy: -64.613
flat angles C4'-P-C4' energy: -55.686
flat angles P-C4'-P energy: -46.341
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: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -663.510482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.510482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.510482 (E_RNA)
where:
Base-Base interactions energy: -409.776
where: short stacking energy: -200.459
Base-Backbone interact. energy: -2.114
local terms energy: -251.620147
where:
bonds (distance) C4'-P energy: -54.267
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -60.949
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -656.255900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.255900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.255900 (E_RNA)
where:
Base-Base interactions energy: -428.561
where: short stacking energy: -209.345
Base-Backbone interact. energy: -0.527
local terms energy: -227.168108
where:
bonds (distance) C4'-P energy: -40.315
bonds (distance) P-C4' energy: -48.292
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -41.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -400.993368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.993368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.993368 (E_RNA)
where:
Base-Base interactions energy: -214.627
where: short stacking energy: -108.904
Base-Backbone interact. energy: -0.760
local terms energy: -185.606663
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -56.127
flat angles C4'-P-C4' energy: -45.055
flat angles P-C4'-P energy: -38.386
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -351.677329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.677329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.677329 (E_RNA)
where:
Base-Base interactions energy: -198.675
where: short stacking energy: -102.372
Base-Backbone interact. energy: -1.487
local terms energy: -151.516094
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -59.496
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: 3.494
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: 45
Temperature: 0.900000
Total energy: -1038.782264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.782264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.782264 (E_RNA)
where:
Base-Base interactions energy: -734.583
where: short stacking energy: -306.138
Base-Backbone interact. energy: -1.744
local terms energy: -302.455210
where:
bonds (distance) C4'-P energy: -56.017
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -65.474
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -73.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -975.891895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.891895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.891895 (E_RNA)
where:
Base-Base interactions energy: -655.634
where: short stacking energy: -309.571
Base-Backbone interact. energy: -2.361
local terms energy: -317.896833
where:
bonds (distance) C4'-P energy: -56.893
bonds (distance) P-C4' energy: -67.553
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -47.868
tors. eta vs tors. theta energy: -84.790
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: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -985.251632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.251632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.251632 (E_RNA)
where:
Base-Base interactions energy: -677.004
where: short stacking energy: -272.764
Base-Backbone interact. energy: -1.537
local terms energy: -306.710814
where:
bonds (distance) C4'-P energy: -62.763
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -41.827
tors. eta vs tors. theta energy: -72.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -839.875027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.875027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.875027 (E_RNA)
where:
Base-Base interactions energy: -568.224
where: short stacking energy: -254.396
Base-Backbone interact. energy: -2.233
local terms energy: -269.418388
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -57.193
flat angles C4'-P-C4' energy: -59.904
flat angles P-C4'-P energy: -39.189
tors. eta vs tors. theta energy: -65.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -855.044323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.044323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.044323 (E_RNA)
where:
Base-Base interactions energy: -571.420
where: short stacking energy: -287.972
Base-Backbone interact. energy: -0.424
local terms energy: -283.200431
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -58.457
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -75.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -712.199477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.199477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.199477 (E_RNA)
where:
Base-Base interactions energy: -462.879
where: short stacking energy: -222.054
Base-Backbone interact. energy: 0.721
local terms energy: -250.041627
where:
bonds (distance) C4'-P energy: -36.831
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -62.859
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -48.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -684.447303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.447303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.447303 (E_RNA)
where:
Base-Base interactions energy: -434.907
where: short stacking energy: -203.214
Base-Backbone interact. energy: -0.867
local terms energy: -248.672710
where:
bonds (distance) C4'-P energy: -58.725
bonds (distance) P-C4' energy: -58.189
flat angles C4'-P-C4' energy: -54.900
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -39.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -648.367831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.367831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.367831 (E_RNA)
where:
Base-Base interactions energy: -420.866
where: short stacking energy: -181.334
Base-Backbone interact. energy: -1.300
local terms energy: -226.201497
where:
bonds (distance) C4'-P energy: -52.507
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: -41.260
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: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -385.339491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.339491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.339491 (E_RNA)
where:
Base-Base interactions energy: -214.951
where: short stacking energy: -135.440
Base-Backbone interact. energy: -1.254
local terms energy: -169.134695
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -350.269777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.269777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.269777 (E_RNA)
where:
Base-Base interactions energy: -172.993
where: short stacking energy: -90.979
Base-Backbone interact. energy: 6.136
local terms energy: -183.412627
where:
bonds (distance) C4'-P energy: -48.312
bonds (distance) P-C4' energy: -55.792
flat angles C4'-P-C4' energy: -56.702
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1041.536758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.536758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.536758 (E_RNA)
where:
Base-Base interactions energy: -735.004
where: short stacking energy: -305.716
Base-Backbone interact. energy: -2.627
local terms energy: -303.905358
where:
bonds (distance) C4'-P energy: -57.050
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -72.526
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -78.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -984.207338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.207338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.207338 (E_RNA)
where:
Base-Base interactions energy: -665.855
where: short stacking energy: -292.784
Base-Backbone interact. energy: -0.487
local terms energy: -317.864786
where:
bonds (distance) C4'-P energy: -66.841
bonds (distance) P-C4' energy: -60.970
flat angles C4'-P-C4' energy: -69.028
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -77.390
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: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -960.206021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.206021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.206021 (E_RNA)
where:
Base-Base interactions energy: -661.099
where: short stacking energy: -289.998
Base-Backbone interact. energy: -1.312
local terms energy: -297.795401
where:
bonds (distance) C4'-P energy: -59.664
bonds (distance) P-C4' energy: -56.566
flat angles C4'-P-C4' energy: -66.094
flat angles P-C4'-P energy: -37.011
tors. eta vs tors. theta energy: -78.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -865.462554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.462554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.462554 (E_RNA)
where:
Base-Base interactions energy: -563.343
where: short stacking energy: -243.753
Base-Backbone interact. energy: -4.616
local terms energy: -297.502636
where:
bonds (distance) C4'-P energy: -46.853
bonds (distance) P-C4' energy: -60.870
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -74.583
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: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -839.458541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.458541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.458541 (E_RNA)
where:
Base-Base interactions energy: -557.992
where: short stacking energy: -258.445
Base-Backbone interact. energy: 0.861
local terms energy: -282.326945
where:
bonds (distance) C4'-P energy: -56.244
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -63.910
flat angles P-C4'-P energy: -28.579
tors. eta vs tors. theta energy: -72.569
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -699.399911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.399911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.399911 (E_RNA)
where:
Base-Base interactions energy: -445.344
where: short stacking energy: -217.856
Base-Backbone interact. energy: -0.506
local terms energy: -253.549900
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -60.000
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -56.489
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: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -655.063858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.063858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.063858 (E_RNA)
where:
Base-Base interactions energy: -417.051
where: short stacking energy: -176.529
Base-Backbone interact. energy: -2.261
local terms energy: -235.751018
where:
bonds (distance) C4'-P energy: -59.091
bonds (distance) P-C4' energy: -61.826
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -31.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -643.143383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.143383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.143383 (E_RNA)
where:
Base-Base interactions energy: -416.718
where: short stacking energy: -209.386
Base-Backbone interact. energy: -1.983
local terms energy: -224.441875
where:
bonds (distance) C4'-P energy: -50.948
bonds (distance) P-C4' energy: -53.955
flat angles C4'-P-C4' energy: -55.591
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -36.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -305.454981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.454981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.454981 (E_RNA)
where:
Base-Base interactions energy: -135.609
where: short stacking energy: -101.916
Base-Backbone interact. energy: -0.476
local terms energy: -169.370530
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -55.754
flat angles C4'-P-C4' energy: -43.466
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: 2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -340.203295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.203295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.203295 (E_RNA)
where:
Base-Base interactions energy: -144.515
where: short stacking energy: -98.674
Base-Backbone interact. energy: -1.124
local terms energy: -194.564251
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -60.278
flat angles C4'-P-C4' energy: -47.652
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1050.297663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.297663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.297663 (E_RNA)
where:
Base-Base interactions energy: -746.709
where: short stacking energy: -304.554
Base-Backbone interact. energy: -1.502
local terms energy: -302.085917
where:
bonds (distance) C4'-P energy: -55.550
bonds (distance) P-C4' energy: -66.193
flat angles C4'-P-C4' energy: -61.140
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -76.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -997.131304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.131304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.131304 (E_RNA)
where:
Base-Base interactions energy: -696.512
where: short stacking energy: -327.647
Base-Backbone interact. energy: -0.231
local terms energy: -300.388277
where:
bonds (distance) C4'-P energy: -46.147
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -60.376
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -88.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -941.634270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.634270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.634270 (E_RNA)
where:
Base-Base interactions energy: -655.083
where: short stacking energy: -268.540
Base-Backbone interact. energy: 0.233
local terms energy: -286.784154
where:
bonds (distance) C4'-P energy: -62.185
bonds (distance) P-C4' energy: -46.847
flat angles C4'-P-C4' energy: -63.189
flat angles P-C4'-P energy: -36.033
tors. eta vs tors. theta energy: -78.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -848.450393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.450393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.450393 (E_RNA)
where:
Base-Base interactions energy: -579.130
where: short stacking energy: -265.942
Base-Backbone interact. energy: -1.431
local terms energy: -267.889206
where:
bonds (distance) C4'-P energy: -60.111
bonds (distance) P-C4' energy: -57.532
flat angles C4'-P-C4' energy: -49.950
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -66.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -844.755249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.755249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.755249 (E_RNA)
where:
Base-Base interactions energy: -551.569
where: short stacking energy: -250.631
Base-Backbone interact. energy: -0.328
local terms energy: -292.858259
where:
bonds (distance) C4'-P energy: -60.876
bonds (distance) P-C4' energy: -55.734
flat angles C4'-P-C4' energy: -64.314
flat angles P-C4'-P energy: -36.437
tors. eta vs tors. theta energy: -75.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -697.732105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.732105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.732105 (E_RNA)
where:
Base-Base interactions energy: -456.879
where: short stacking energy: -221.466
Base-Backbone interact. energy: -1.628
local terms energy: -239.224534
where:
bonds (distance) C4'-P energy: -62.608
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -713.182937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.182937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.182937 (E_RNA)
where:
Base-Base interactions energy: -472.267
where: short stacking energy: -238.890
Base-Backbone interact. energy: -0.358
local terms energy: -240.557236
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -60.919
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: -57.438
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: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -630.625714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.625714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.625714 (E_RNA)
where:
Base-Base interactions energy: -390.351
where: short stacking energy: -189.016
Base-Backbone interact. energy: -0.592
local terms energy: -239.683437
where:
bonds (distance) C4'-P energy: -53.271
bonds (distance) P-C4' energy: -51.351
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: -41.936
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: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -361.944465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.944465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.944465 (E_RNA)
where:
Base-Base interactions energy: -173.381
where: short stacking energy: -127.855
Base-Backbone interact. energy: -1.438
local terms energy: -187.125725
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -58.847
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -18.488
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: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -323.272958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.272958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.272958 (E_RNA)
where:
Base-Base interactions energy: -160.575
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.568
local terms energy: -162.130473
where:
bonds (distance) C4'-P energy: -54.776
bonds (distance) P-C4' energy: -47.563
flat angles C4'-P-C4' energy: -25.990
flat angles P-C4'-P energy: -37.907
tors. eta vs tors. theta energy: 4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1018.856629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.856629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.856629 (E_RNA)
where:
Base-Base interactions energy: -692.927
where: short stacking energy: -312.248
Base-Backbone interact. energy: -0.648
local terms energy: -325.281330
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -66.396
flat angles C4'-P-C4' energy: -67.161
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -86.185
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: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1030.433886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.433886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.433886 (E_RNA)
where:
Base-Base interactions energy: -745.101
where: short stacking energy: -295.305
Base-Backbone interact. energy: -4.189
local terms energy: -281.143313
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -51.944
flat angles C4'-P-C4' energy: -68.072
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -74.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -970.418810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.418810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.418810 (E_RNA)
where:
Base-Base interactions energy: -679.020
where: short stacking energy: -271.537
Base-Backbone interact. energy: -1.605
local terms energy: -289.794109
where:
bonds (distance) C4'-P energy: -48.965
bonds (distance) P-C4' energy: -56.500
flat angles C4'-P-C4' energy: -64.925
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -76.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -899.107220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.107220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.107220 (E_RNA)
where:
Base-Base interactions energy: -610.453
where: short stacking energy: -256.149
Base-Backbone interact. energy: -0.287
local terms energy: -288.367108
where:
bonds (distance) C4'-P energy: -64.546
bonds (distance) P-C4' energy: -59.176
flat angles C4'-P-C4' energy: -60.397
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -69.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -846.340897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.340897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.340897 (E_RNA)
where:
Base-Base interactions energy: -565.653
where: short stacking energy: -260.101
Base-Backbone interact. energy: -0.979
local terms energy: -279.709209
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -53.676
flat angles C4'-P-C4' energy: -68.178
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -68.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -710.051714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.051714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.051714 (E_RNA)
where:
Base-Base interactions energy: -464.996
where: short stacking energy: -196.343
Base-Backbone interact. energy: -0.328
local terms energy: -244.727716
where:
bonds (distance) C4'-P energy: -47.506
bonds (distance) P-C4' energy: -56.122
flat angles C4'-P-C4' energy: -59.176
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -42.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -709.305335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.305335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.305335 (E_RNA)
where:
Base-Base interactions energy: -473.068
where: short stacking energy: -226.631
Base-Backbone interact. energy: 1.355
local terms energy: -237.592312
where:
bonds (distance) C4'-P energy: -54.521
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: -56.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -674.279940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.279940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.279940 (E_RNA)
where:
Base-Base interactions energy: -449.112
where: short stacking energy: -211.841
Base-Backbone interact. energy: 0.800
local terms energy: -225.967961
where:
bonds (distance) C4'-P energy: -36.680
bonds (distance) P-C4' energy: -49.693
flat angles C4'-P-C4' energy: -58.987
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -45.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -333.748647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.748647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.748647 (E_RNA)
where:
Base-Base interactions energy: -148.424
where: short stacking energy: -100.542
Base-Backbone interact. energy: -1.032
local terms energy: -184.293171
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -44.685
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -277.667862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.667862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.667862 (E_RNA)
where:
Base-Base interactions energy: -103.343
where: short stacking energy: -100.125
Base-Backbone interact. energy: 0.113
local terms energy: -174.437826
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -45.604
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1025.222976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.222976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.222976 (E_RNA)
where:
Base-Base interactions energy: -717.759
where: short stacking energy: -321.298
Base-Backbone interact. energy: -0.604
local terms energy: -306.859841
where:
bonds (distance) C4'-P energy: -46.685
bonds (distance) P-C4' energy: -58.689
flat angles C4'-P-C4' energy: -70.241
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -90.427
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: 49
Temperature: 0.950000
Total energy: -1014.811675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.811675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.811675 (E_RNA)
where:
Base-Base interactions energy: -720.537
where: short stacking energy: -290.930
Base-Backbone interact. energy: -1.317
local terms energy: -292.957234
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -60.428
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -37.112
tors. eta vs tors. theta energy: -70.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -964.603808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.603808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.603808 (E_RNA)
where:
Base-Base interactions energy: -679.375
where: short stacking energy: -276.202
Base-Backbone interact. energy: -1.752
local terms energy: -283.477037
where:
bonds (distance) C4'-P energy: -45.552
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -65.255
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -77.344
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: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -918.510898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.510898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.510898 (E_RNA)
where:
Base-Base interactions energy: -630.951
where: short stacking energy: -263.295
Base-Backbone interact. energy: -0.387
local terms energy: -287.172541
where:
bonds (distance) C4'-P energy: -50.333
bonds (distance) P-C4' energy: -58.506
flat angles C4'-P-C4' energy: -66.246
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -72.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -848.359402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.359402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.359402 (E_RNA)
where:
Base-Base interactions energy: -549.717
where: short stacking energy: -262.182
Base-Backbone interact. energy: -2.273
local terms energy: -296.369202
where:
bonds (distance) C4'-P energy: -56.640
bonds (distance) P-C4' energy: -56.925
flat angles C4'-P-C4' energy: -62.987
flat angles P-C4'-P energy: -51.547
tors. eta vs tors. theta energy: -68.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -746.495091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.495091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.495091 (E_RNA)
where:
Base-Base interactions energy: -479.335
where: short stacking energy: -233.275
Base-Backbone interact. energy: 2.428
local terms energy: -269.588287
where:
bonds (distance) C4'-P energy: -64.151
bonds (distance) P-C4' energy: -54.806
flat angles C4'-P-C4' energy: -56.202
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -53.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -688.073671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.073671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.073671 (E_RNA)
where:
Base-Base interactions energy: -453.965
where: short stacking energy: -197.045
Base-Backbone interact. energy: -0.646
local terms energy: -233.462661
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -47.732
flat angles P-C4'-P energy: -42.283
tors. eta vs tors. theta energy: -42.560
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: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -723.294849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.294849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.294849 (E_RNA)
where:
Base-Base interactions energy: -491.148
where: short stacking energy: -224.598
Base-Backbone interact. energy: -1.159
local terms energy: -230.988263
where:
bonds (distance) C4'-P energy: -45.928
bonds (distance) P-C4' energy: -45.926
flat angles C4'-P-C4' energy: -54.933
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -55.728
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: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -342.803328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.803328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.803328 (E_RNA)
where:
Base-Base interactions energy: -182.544
where: short stacking energy: -118.285
Base-Backbone interact. energy: -0.984
local terms energy: -159.275740
where:
bonds (distance) C4'-P energy: -40.663
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -7.838
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: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -269.810971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.810971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.810971 (E_RNA)
where:
Base-Base interactions energy: -91.111
where: short stacking energy: -64.842
Base-Backbone interact. energy: 0.805
local terms energy: -179.504666
where:
bonds (distance) C4'-P energy: -66.262
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: 13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1038.837466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.837466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.837466 (E_RNA)
where:
Base-Base interactions energy: -736.676
where: short stacking energy: -307.353
Base-Backbone interact. energy: -2.413
local terms energy: -299.748208
where:
bonds (distance) C4'-P energy: -54.227
bonds (distance) P-C4' energy: -59.449
flat angles C4'-P-C4' energy: -68.284
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -76.042
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: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1014.591254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.591254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.591254 (E_RNA)
where:
Base-Base interactions energy: -679.297
where: short stacking energy: -315.411
Base-Backbone interact. energy: -0.594
local terms energy: -334.699862
where:
bonds (distance) C4'-P energy: -65.786
bonds (distance) P-C4' energy: -61.617
flat angles C4'-P-C4' energy: -68.984
flat angles P-C4'-P energy: -47.553
tors. eta vs tors. theta energy: -90.759
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -975.123019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.123019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.123019 (E_RNA)
where:
Base-Base interactions energy: -677.959
where: short stacking energy: -260.290
Base-Backbone interact. energy: -2.718
local terms energy: -294.445848
where:
bonds (distance) C4'-P energy: -57.103
bonds (distance) P-C4' energy: -61.830
flat angles C4'-P-C4' energy: -68.971
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -75.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -884.704657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.704657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.704657 (E_RNA)
where:
Base-Base interactions energy: -613.250
where: short stacking energy: -266.686
Base-Backbone interact. energy: -1.381
local terms energy: -270.073860
where:
bonds (distance) C4'-P energy: -47.541
bonds (distance) P-C4' energy: -49.476
flat angles C4'-P-C4' energy: -63.447
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -64.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -857.915720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.915720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.915720 (E_RNA)
where:
Base-Base interactions energy: -582.453
where: short stacking energy: -257.170
Base-Backbone interact. energy: -1.569
local terms energy: -273.894171
where:
bonds (distance) C4'-P energy: -50.152
bonds (distance) P-C4' energy: -58.518
flat angles C4'-P-C4' energy: -55.684
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -64.145
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: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -740.749060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.749060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.749060 (E_RNA)
where:
Base-Base interactions energy: -488.450
where: short stacking energy: -234.772
Base-Backbone interact. energy: 2.619
local terms energy: -254.917825
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -57.674
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -60.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -760.110655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.110655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.110655 (E_RNA)
where:
Base-Base interactions energy: -489.082
where: short stacking energy: -219.228
Base-Backbone interact. energy: -2.000
local terms energy: -269.028125
where:
bonds (distance) C4'-P energy: -48.817
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -55.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -640.077652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.077652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.077652 (E_RNA)
where:
Base-Base interactions energy: -407.734
where: short stacking energy: -199.270
Base-Backbone interact. energy: -1.045
local terms energy: -231.297879
where:
bonds (distance) C4'-P energy: -49.039
bonds (distance) P-C4' energy: -64.012
flat angles C4'-P-C4' energy: -48.708
flat angles P-C4'-P energy: -29.839
tors. eta vs tors. theta energy: -39.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -376.867905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.867905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.867905 (E_RNA)
where:
Base-Base interactions energy: -194.587
where: short stacking energy: -113.220
Base-Backbone interact. energy: -0.970
local terms energy: -181.311814
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -50.636
flat angles C4'-P-C4' energy: -44.493
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -262.552717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.552717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.552717 (E_RNA)
where:
Base-Base interactions energy: -93.388
where: short stacking energy: -89.204
Base-Backbone interact. energy: 1.414
local terms energy: -170.579501
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -53.241
flat angles C4'-P-C4' energy: -40.452
flat angles P-C4'-P energy: -22.431
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: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1033.856192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.856192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.856192 (E_RNA)
where:
Base-Base interactions energy: -741.335
where: short stacking energy: -299.218
Base-Backbone interact. energy: -1.642
local terms energy: -290.878920
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -58.139
flat angles C4'-P-C4' energy: -67.343
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -73.433
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: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1014.986580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.986580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.986580 (E_RNA)
where:
Base-Base interactions energy: -699.531
where: short stacking energy: -319.384
Base-Backbone interact. energy: -0.135
local terms energy: -315.319897
where:
bonds (distance) C4'-P energy: -55.493
bonds (distance) P-C4' energy: -55.780
flat angles C4'-P-C4' energy: -67.369
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: -89.780
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: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -986.610878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.610878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.610878 (E_RNA)
where:
Base-Base interactions energy: -696.236
where: short stacking energy: -279.681
Base-Backbone interact. energy: -1.672
local terms energy: -288.702944
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -52.500
flat angles C4'-P-C4' energy: -64.318
flat angles P-C4'-P energy: -42.825
tors. eta vs tors. theta energy: -80.977
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: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -903.882336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.882336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.882336 (E_RNA)
where:
Base-Base interactions energy: -614.800
where: short stacking energy: -254.126
Base-Backbone interact. energy: -2.128
local terms energy: -286.954405
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -64.564
flat angles C4'-P-C4' energy: -58.442
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -68.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -892.121193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.121193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.121193 (E_RNA)
where:
Base-Base interactions energy: -600.307
where: short stacking energy: -270.923
Base-Backbone interact. energy: -0.758
local terms energy: -291.056063
where:
bonds (distance) C4'-P energy: -59.084
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -59.292
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -69.568
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: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -817.718497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.718497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.718497 (E_RNA)
where:
Base-Base interactions energy: -557.728
where: short stacking energy: -230.993
Base-Backbone interact. energy: -1.308
local terms energy: -258.682966
where:
bonds (distance) C4'-P energy: -65.097
bonds (distance) P-C4' energy: -45.733
flat angles C4'-P-C4' energy: -58.534
flat angles P-C4'-P energy: -37.725
tors. eta vs tors. theta energy: -51.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -692.129455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.129455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.129455 (E_RNA)
where:
Base-Base interactions energy: -459.035
where: short stacking energy: -201.222
Base-Backbone interact. energy: 0.707
local terms energy: -233.801507
where:
bonds (distance) C4'-P energy: -41.145
bonds (distance) P-C4' energy: -44.468
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -42.581
tors. eta vs tors. theta energy: -53.007
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: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -654.607205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.607205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.607205 (E_RNA)
where:
Base-Base interactions energy: -418.396
where: short stacking energy: -159.329
Base-Backbone interact. energy: -1.978
local terms energy: -234.233051
where:
bonds (distance) C4'-P energy: -64.080
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -37.067
tors. eta vs tors. theta energy: -38.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -441.922283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.922283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.922283 (E_RNA)
where:
Base-Base interactions energy: -238.063
where: short stacking energy: -136.421
Base-Backbone interact. energy: -1.824
local terms energy: -202.035331
where:
bonds (distance) C4'-P energy: -56.917
bonds (distance) P-C4' energy: -49.846
flat angles C4'-P-C4' energy: -43.506
flat angles P-C4'-P energy: -33.718
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -259.661549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.661549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.661549 (E_RNA)
where:
Base-Base interactions energy: -103.464
where: short stacking energy: -85.532
Base-Backbone interact. energy: 1.990
local terms energy: -158.187142
where:
bonds (distance) C4'-P energy: -53.669
bonds (distance) P-C4' energy: -41.643
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1033.422348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.422348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.422348 (E_RNA)
where:
Base-Base interactions energy: -725.489
where: short stacking energy: -307.036
Base-Backbone interact. energy: -1.407
local terms energy: -306.527147
where:
bonds (distance) C4'-P energy: -64.785
bonds (distance) P-C4' energy: -67.456
flat angles C4'-P-C4' energy: -68.154
flat angles P-C4'-P energy: -32.172
tors. eta vs tors. theta energy: -73.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1012.916149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.916149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.916149 (E_RNA)
where:
Base-Base interactions energy: -697.209
where: short stacking energy: -309.757
Base-Backbone interact. energy: -0.678
local terms energy: -315.029477
where:
bonds (distance) C4'-P energy: -56.653
bonds (distance) P-C4' energy: -63.890
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -40.245
tors. eta vs tors. theta energy: -87.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -980.670521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.670521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.670521 (E_RNA)
where:
Base-Base interactions energy: -670.305
where: short stacking energy: -274.785
Base-Backbone interact. energy: -2.236
local terms energy: -308.129940
where:
bonds (distance) C4'-P energy: -61.246
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -68.778
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -69.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -882.157071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.157071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.157071 (E_RNA)
where:
Base-Base interactions energy: -585.587
where: short stacking energy: -264.800
Base-Backbone interact. energy: -1.230
local terms energy: -295.339321
where:
bonds (distance) C4'-P energy: -51.579
bonds (distance) P-C4' energy: -63.656
flat angles C4'-P-C4' energy: -68.928
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -69.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -884.570736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.570736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.570736 (E_RNA)
where:
Base-Base interactions energy: -595.223
where: short stacking energy: -270.439
Base-Backbone interact. energy: -0.401
local terms energy: -288.946676
where:
bonds (distance) C4'-P energy: -59.899
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -59.112
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -73.171
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: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -812.792693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.792693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.792693 (E_RNA)
where:
Base-Base interactions energy: -560.133
where: short stacking energy: -257.971
Base-Backbone interact. energy: -0.572
local terms energy: -252.087359
where:
bonds (distance) C4'-P energy: -55.943
bonds (distance) P-C4' energy: -51.131
flat angles C4'-P-C4' energy: -56.307
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -54.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -634.702151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.702151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.702151 (E_RNA)
where:
Base-Base interactions energy: -403.442
where: short stacking energy: -191.920
Base-Backbone interact. energy: -2.140
local terms energy: -229.120992
where:
bonds (distance) C4'-P energy: -45.469
bonds (distance) P-C4' energy: -59.642
flat angles C4'-P-C4' energy: -52.824
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: -39.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -674.476080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.476080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.476080 (E_RNA)
where:
Base-Base interactions energy: -431.467
where: short stacking energy: -206.981
Base-Backbone interact. energy: -1.411
local terms energy: -241.598188
where:
bonds (distance) C4'-P energy: -51.350
bonds (distance) P-C4' energy: -59.240
flat angles C4'-P-C4' energy: -66.069
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: -37.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -384.150859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.150859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.150859 (E_RNA)
where:
Base-Base interactions energy: -200.782
where: short stacking energy: -104.983
Base-Backbone interact. energy: 0.415
local terms energy: -183.784007
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -54.952
flat angles C4'-P-C4' energy: -36.129
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -248.011930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.011930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.011930 (E_RNA)
where:
Base-Base interactions energy: -93.946
where: short stacking energy: -81.713
Base-Backbone interact. energy: -0.429
local terms energy: -153.637752
where:
bonds (distance) C4'-P energy: -46.749
bonds (distance) P-C4' energy: -42.712
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -31.364
tors. eta vs tors. theta energy: 7.185
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: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1024.013553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.013553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.013553 (E_RNA)
where:
Base-Base interactions energy: -709.164
where: short stacking energy: -301.423
Base-Backbone interact. energy: -0.857
local terms energy: -313.993211
where:
bonds (distance) C4'-P energy: -63.296
bonds (distance) P-C4' energy: -58.762
flat angles C4'-P-C4' energy: -68.304
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -78.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1026.382053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.382053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.382053 (E_RNA)
where:
Base-Base interactions energy: -709.509
where: short stacking energy: -326.177
Base-Backbone interact. energy: -0.461
local terms energy: -316.412111
where:
bonds (distance) C4'-P energy: -55.598
bonds (distance) P-C4' energy: -65.692
flat angles C4'-P-C4' energy: -62.368
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: -93.506
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: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -958.980882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.980882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.980882 (E_RNA)
where:
Base-Base interactions energy: -668.874
where: short stacking energy: -269.604
Base-Backbone interact. energy: -4.173
local terms energy: -285.933936
where:
bonds (distance) C4'-P energy: -43.889
bonds (distance) P-C4' energy: -58.726
flat angles C4'-P-C4' energy: -62.498
flat angles P-C4'-P energy: -50.856
tors. eta vs tors. theta energy: -69.964
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: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -885.693168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.693168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.693168 (E_RNA)
where:
Base-Base interactions energy: -585.576
where: short stacking energy: -248.159
Base-Backbone interact. energy: -2.094
local terms energy: -298.023206
where:
bonds (distance) C4'-P energy: -56.211
bonds (distance) P-C4' energy: -67.543
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -68.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -896.363673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.363673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.363673 (E_RNA)
where:
Base-Base interactions energy: -613.263
where: short stacking energy: -288.810
Base-Backbone interact. energy: -1.477
local terms energy: -281.622838
where:
bonds (distance) C4'-P energy: -49.163
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -61.051
flat angles P-C4'-P energy: -42.877
tors. eta vs tors. theta energy: -79.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -837.101695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.101695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.101695 (E_RNA)
where:
Base-Base interactions energy: -567.472
where: short stacking energy: -253.216
Base-Backbone interact. energy: -0.989
local terms energy: -268.640099
where:
bonds (distance) C4'-P energy: -54.193
bonds (distance) P-C4' energy: -42.449
flat angles C4'-P-C4' energy: -67.072
flat angles P-C4'-P energy: -44.257
tors. eta vs tors. theta energy: -60.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -652.153002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.153002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.153002 (E_RNA)
where:
Base-Base interactions energy: -435.194
where: short stacking energy: -207.106
Base-Backbone interact. energy: -0.036
local terms energy: -216.922132
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -48.137
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: -54.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -650.014244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.014244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.014244 (E_RNA)
where:
Base-Base interactions energy: -416.490
where: short stacking energy: -188.999
Base-Backbone interact. energy: 1.825
local terms energy: -235.349312
where:
bonds (distance) C4'-P energy: -51.991
bonds (distance) P-C4' energy: -62.777
flat angles C4'-P-C4' energy: -54.451
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -32.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -367.809327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.809327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.809327 (E_RNA)
where:
Base-Base interactions energy: -170.429
where: short stacking energy: -112.873
Base-Backbone interact. energy: 6.186
local terms energy: -203.565736
where:
bonds (distance) C4'-P energy: -57.317
bonds (distance) P-C4' energy: -46.052
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -14.579
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: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -270.174018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.174018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.174018 (E_RNA)
where:
Base-Base interactions energy: -105.357
where: short stacking energy: -89.984
Base-Backbone interact. energy: -0.771
local terms energy: -164.046519
where:
bonds (distance) C4'-P energy: -52.649
bonds (distance) P-C4' energy: -52.648
flat angles C4'-P-C4' energy: -44.529
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1047.480475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.480475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.480475 (E_RNA)
where:
Base-Base interactions energy: -733.228
where: short stacking energy: -308.384
Base-Backbone interact. energy: -0.554
local terms energy: -313.698546
where:
bonds (distance) C4'-P energy: -58.804
bonds (distance) P-C4' energy: -64.833
flat angles C4'-P-C4' energy: -68.877
flat angles P-C4'-P energy: -47.807
tors. eta vs tors. theta energy: -73.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1027.496451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.496451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.496451 (E_RNA)
where:
Base-Base interactions energy: -711.866
where: short stacking energy: -326.862
Base-Backbone interact. energy: 0.638
local terms energy: -316.269249
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -71.069
flat angles P-C4'-P energy: -43.985
tors. eta vs tors. theta energy: -94.447
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: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -975.640989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.640989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.640989 (E_RNA)
where:
Base-Base interactions energy: -686.279
where: short stacking energy: -281.624
Base-Backbone interact. energy: -4.225
local terms energy: -285.137069
where:
bonds (distance) C4'-P energy: -57.458
bonds (distance) P-C4' energy: -59.311
flat angles C4'-P-C4' energy: -52.413
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -79.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -900.376842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.376842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.376842 (E_RNA)
where:
Base-Base interactions energy: -622.216
where: short stacking energy: -265.553
Base-Backbone interact. energy: -0.083
local terms energy: -278.077514
where:
bonds (distance) C4'-P energy: -51.826
bonds (distance) P-C4' energy: -60.930
flat angles C4'-P-C4' energy: -61.285
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -66.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -870.219850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.219850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.219850 (E_RNA)
where:
Base-Base interactions energy: -583.120
where: short stacking energy: -276.672
Base-Backbone interact. energy: 1.087
local terms energy: -288.187729
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -52.092
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -78.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -862.493309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.493309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.493309 (E_RNA)
where:
Base-Base interactions energy: -600.058
where: short stacking energy: -263.977
Base-Backbone interact. energy: 0.232
local terms energy: -262.668052
where:
bonds (distance) C4'-P energy: -49.849
bonds (distance) P-C4' energy: -56.891
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -36.199
tors. eta vs tors. theta energy: -70.618
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: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -678.524695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.524695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.524695 (E_RNA)
where:
Base-Base interactions energy: -429.431
where: short stacking energy: -205.317
Base-Backbone interact. energy: 0.735
local terms energy: -249.829030
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -56.806
flat angles C4'-P-C4' energy: -59.029
flat angles P-C4'-P energy: -46.417
tors. eta vs tors. theta energy: -37.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -605.696743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.696743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.696743 (E_RNA)
where:
Base-Base interactions energy: -373.999
where: short stacking energy: -187.172
Base-Backbone interact. energy: -1.423
local terms energy: -230.274660
where:
bonds (distance) C4'-P energy: -52.776
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -56.517
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: -40.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -373.799289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.799289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.799289 (E_RNA)
where:
Base-Base interactions energy: -176.493
where: short stacking energy: -103.930
Base-Backbone interact. energy: 1.609
local terms energy: -198.915849
where:
bonds (distance) C4'-P energy: -53.634
bonds (distance) P-C4' energy: -60.475
flat angles C4'-P-C4' energy: -50.952
flat angles P-C4'-P energy: -30.846
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -264.816279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.816279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.816279 (E_RNA)
where:
Base-Base interactions energy: -92.579
where: short stacking energy: -74.818
Base-Backbone interact. energy: 1.692
local terms energy: -173.929640
where:
bonds (distance) C4'-P energy: -54.890
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -47.196
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: 7.154
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: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1045.600502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.600502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.600502 (E_RNA)
where:
Base-Base interactions energy: -733.521
where: short stacking energy: -319.865
Base-Backbone interact. energy: 1.732
local terms energy: -313.811514
where:
bonds (distance) C4'-P energy: -55.397
bonds (distance) P-C4' energy: -61.606
flat angles C4'-P-C4' energy: -73.359
flat angles P-C4'-P energy: -44.380
tors. eta vs tors. theta energy: -79.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -983.499212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.499212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.499212 (E_RNA)
where:
Base-Base interactions energy: -658.392
where: short stacking energy: -279.755
Base-Backbone interact. energy: -1.766
local terms energy: -323.340983
where:
bonds (distance) C4'-P energy: -67.079
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -68.046
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -73.937
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: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1003.278790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.278790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.278790 (E_RNA)
where:
Base-Base interactions energy: -689.068
where: short stacking energy: -308.330
Base-Backbone interact. energy: -0.567
local terms energy: -313.643457
where:
bonds (distance) C4'-P energy: -54.778
bonds (distance) P-C4' energy: -65.988
flat angles C4'-P-C4' energy: -64.514
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -87.239
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: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -946.328666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.328666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.328666 (E_RNA)
where:
Base-Base interactions energy: -658.368
where: short stacking energy: -269.885
Base-Backbone interact. energy: -1.525
local terms energy: -286.436462
where:
bonds (distance) C4'-P energy: -63.743
bonds (distance) P-C4' energy: -56.927
flat angles C4'-P-C4' energy: -57.179
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -68.045
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: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -859.253757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.253757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.253757 (E_RNA)
where:
Base-Base interactions energy: -580.091
where: short stacking energy: -233.097
Base-Backbone interact. energy: -0.556
local terms energy: -278.607017
where:
bonds (distance) C4'-P energy: -63.204
bonds (distance) P-C4' energy: -52.502
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -54.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -859.391766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.391766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.391766 (E_RNA)
where:
Base-Base interactions energy: -584.992
where: short stacking energy: -271.552
Base-Backbone interact. energy: -0.541
local terms energy: -273.858755
where:
bonds (distance) C4'-P energy: -43.947
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -64.537
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -71.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -673.402869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.402869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.402869 (E_RNA)
where:
Base-Base interactions energy: -438.710
where: short stacking energy: -202.616
Base-Backbone interact. energy: 2.002
local terms energy: -236.694744
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -53.391
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -29.578
tors. eta vs tors. theta energy: -49.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -633.862759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.862759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.862759 (E_RNA)
where:
Base-Base interactions energy: -400.202
where: short stacking energy: -192.812
Base-Backbone interact. energy: -1.482
local terms energy: -232.178462
where:
bonds (distance) C4'-P energy: -50.887
bonds (distance) P-C4' energy: -52.886
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -44.878
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: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -376.428809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.428809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.428809 (E_RNA)
where:
Base-Base interactions energy: -202.518
where: short stacking energy: -122.403
Base-Backbone interact. energy: 0.629
local terms energy: -174.540127
where:
bonds (distance) C4'-P energy: -54.526
bonds (distance) P-C4' energy: -52.460
flat angles C4'-P-C4' energy: -34.978
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -276.387723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.387723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.387723 (E_RNA)
where:
Base-Base interactions energy: -87.910
where: short stacking energy: -77.860
Base-Backbone interact. energy: -0.238
local terms energy: -188.239688
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -43.356
flat angles C4'-P-C4' energy: -56.287
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -987.970572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.970572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.970572 (E_RNA)
where:
Base-Base interactions energy: -675.477
where: short stacking energy: -276.093
Base-Backbone interact. energy: -1.937
local terms energy: -310.557349
where:
bonds (distance) C4'-P energy: -61.773
bonds (distance) P-C4' energy: -50.813
flat angles C4'-P-C4' energy: -73.874
flat angles P-C4'-P energy: -47.282
tors. eta vs tors. theta energy: -76.815
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: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1034.030844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.030844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.030844 (E_RNA)
where:
Base-Base interactions energy: -719.127
where: short stacking energy: -297.788
Base-Backbone interact. energy: -0.283
local terms energy: -314.620627
where:
bonds (distance) C4'-P energy: -62.565
bonds (distance) P-C4' energy: -57.523
flat angles C4'-P-C4' energy: -67.872
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -81.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1005.759479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.759479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.759479 (E_RNA)
where:
Base-Base interactions energy: -692.439
where: short stacking energy: -304.132
Base-Backbone interact. energy: -0.496
local terms energy: -312.825097
where:
bonds (distance) C4'-P energy: -63.580
bonds (distance) P-C4' energy: -54.265
flat angles C4'-P-C4' energy: -67.090
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -89.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -963.791642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.791642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.791642 (E_RNA)
where:
Base-Base interactions energy: -669.106
where: short stacking energy: -290.439
Base-Backbone interact. energy: -1.108
local terms energy: -293.577700
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -66.702
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -78.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -895.551646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.551646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.551646 (E_RNA)
where:
Base-Base interactions energy: -595.139
where: short stacking energy: -255.256
Base-Backbone interact. energy: -0.307
local terms energy: -300.105946
where:
bonds (distance) C4'-P energy: -56.971
bonds (distance) P-C4' energy: -62.983
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: -67.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -836.377717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.377717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.377717 (E_RNA)
where:
Base-Base interactions energy: -562.022
where: short stacking energy: -238.837
Base-Backbone interact. energy: 3.474
local terms energy: -277.830223
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -60.021
flat angles C4'-P-C4' energy: -63.310
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -62.053
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: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -654.865466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.865466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.865466 (E_RNA)
where:
Base-Base interactions energy: -409.197
where: short stacking energy: -196.951
Base-Backbone interact. energy: -1.698
local terms energy: -243.970496
where:
bonds (distance) C4'-P energy: -58.882
bonds (distance) P-C4' energy: -57.533
flat angles C4'-P-C4' energy: -53.775
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: -39.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -666.975365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.975365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.975365 (E_RNA)
where:
Base-Base interactions energy: -429.142
where: short stacking energy: -187.819
Base-Backbone interact. energy: 1.965
local terms energy: -239.797549
where:
bonds (distance) C4'-P energy: -47.092
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -45.173
tors. eta vs tors. theta energy: -46.754
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: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -427.224464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.224464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.224464 (E_RNA)
where:
Base-Base interactions energy: -235.288
where: short stacking energy: -109.004
Base-Backbone interact. energy: -1.615
local terms energy: -190.321955
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -31.203
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -265.818468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.818468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.818468 (E_RNA)
where:
Base-Base interactions energy: -87.456
where: short stacking energy: -83.650
Base-Backbone interact. energy: 0.580
local terms energy: -178.942241
where:
bonds (distance) C4'-P energy: -46.282
bonds (distance) P-C4' energy: -39.851
flat angles C4'-P-C4' energy: -49.198
flat angles P-C4'-P energy: -39.530
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1025.968248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.968248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.968248 (E_RNA)
where:
Base-Base interactions energy: -709.220
where: short stacking energy: -294.997
Base-Backbone interact. energy: 1.999
local terms energy: -318.747281
where:
bonds (distance) C4'-P energy: -62.972
bonds (distance) P-C4' energy: -55.293
flat angles C4'-P-C4' energy: -66.932
flat angles P-C4'-P energy: -52.751
tors. eta vs tors. theta energy: -80.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1044.811946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.811946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.811946 (E_RNA)
where:
Base-Base interactions energy: -741.416
where: short stacking energy: -315.049
Base-Backbone interact. energy: -0.551
local terms energy: -302.844645
where:
bonds (distance) C4'-P energy: -45.631
bonds (distance) P-C4' energy: -59.345
flat angles C4'-P-C4' energy: -67.090
flat angles P-C4'-P energy: -46.148
tors. eta vs tors. theta energy: -84.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1017.689860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.689860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.689860 (E_RNA)
where:
Base-Base interactions energy: -723.065
where: short stacking energy: -303.220
Base-Backbone interact. energy: -1.617
local terms energy: -293.008094
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -60.313
flat angles C4'-P-C4' energy: -66.533
flat angles P-C4'-P energy: -36.558
tors. eta vs tors. theta energy: -77.938
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: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -958.647329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.647329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.647329 (E_RNA)
where:
Base-Base interactions energy: -654.821
where: short stacking energy: -283.449
Base-Backbone interact. energy: -1.178
local terms energy: -302.648905
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -63.575
flat angles C4'-P-C4' energy: -68.433
flat angles P-C4'-P energy: -37.123
tors. eta vs tors. theta energy: -82.372
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: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -867.180611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.180611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.180611 (E_RNA)
where:
Base-Base interactions energy: -597.143
where: short stacking energy: -285.184
Base-Backbone interact. energy: -0.757
local terms energy: -269.281248
where:
bonds (distance) C4'-P energy: -49.334
bonds (distance) P-C4' energy: -50.620
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -61.099
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: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -855.601074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.601074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.601074 (E_RNA)
where:
Base-Base interactions energy: -591.208
where: short stacking energy: -250.720
Base-Backbone interact. energy: -0.732
local terms energy: -263.661143
where:
bonds (distance) C4'-P energy: -60.805
bonds (distance) P-C4' energy: -54.074
flat angles C4'-P-C4' energy: -61.443
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -66.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -663.738715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.738715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.738715 (E_RNA)
where:
Base-Base interactions energy: -434.434
where: short stacking energy: -197.548
Base-Backbone interact. energy: 2.387
local terms energy: -231.690946
where:
bonds (distance) C4'-P energy: -52.294
bonds (distance) P-C4' energy: -60.824
flat angles C4'-P-C4' energy: -56.316
flat angles P-C4'-P energy: -29.060
tors. eta vs tors. theta energy: -33.198
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: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -608.923356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.923356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.923356 (E_RNA)
where:
Base-Base interactions energy: -402.488
where: short stacking energy: -190.816
Base-Backbone interact. energy: 0.621
local terms energy: -207.056324
where:
bonds (distance) C4'-P energy: -40.810
bonds (distance) P-C4' energy: -52.765
flat angles C4'-P-C4' energy: -54.674
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -27.831
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: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -448.950457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.950457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.950457 (E_RNA)
where:
Base-Base interactions energy: -253.228
where: short stacking energy: -123.678
Base-Backbone interact. energy: -0.735
local terms energy: -194.987089
where:
bonds (distance) C4'-P energy: -53.957
bonds (distance) P-C4' energy: -56.653
flat angles C4'-P-C4' energy: -41.500
flat angles P-C4'-P energy: -29.235
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: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -312.568477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.568477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.568477 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -89.647
Base-Backbone interact. energy: -1.150
local terms energy: -168.282930
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -37.087
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1049.746825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.746825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.746825 (E_RNA)
where:
Base-Base interactions energy: -735.772
where: short stacking energy: -323.443
Base-Backbone interact. energy: -1.903
local terms energy: -312.071576
where:
bonds (distance) C4'-P energy: -63.532
bonds (distance) P-C4' energy: -56.900
flat angles C4'-P-C4' energy: -69.005
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -75.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -996.224363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.224363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.224363 (E_RNA)
where:
Base-Base interactions energy: -684.890
where: short stacking energy: -285.888
Base-Backbone interact. energy: -1.444
local terms energy: -309.890328
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -59.216
flat angles C4'-P-C4' energy: -67.408
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -76.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1011.077393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.077393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.077393 (E_RNA)
where:
Base-Base interactions energy: -692.478
where: short stacking energy: -289.067
Base-Backbone interact. energy: -0.421
local terms energy: -318.179059
where:
bonds (distance) C4'-P energy: -59.314
bonds (distance) P-C4' energy: -65.454
flat angles C4'-P-C4' energy: -73.205
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -73.158
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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -939.825428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.825428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.825428 (E_RNA)
where:
Base-Base interactions energy: -653.293
where: short stacking energy: -300.158
Base-Backbone interact. energy: -2.013
local terms energy: -284.519150
where:
bonds (distance) C4'-P energy: -44.500
bonds (distance) P-C4' energy: -61.703
flat angles C4'-P-C4' energy: -66.648
flat angles P-C4'-P energy: -37.773
tors. eta vs tors. theta energy: -73.896
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: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -890.888945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.888945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.888945 (E_RNA)
where:
Base-Base interactions energy: -614.279
where: short stacking energy: -284.516
Base-Backbone interact. energy: -0.862
local terms energy: -275.747920
where:
bonds (distance) C4'-P energy: -40.731
bonds (distance) P-C4' energy: -56.675
flat angles C4'-P-C4' energy: -72.718
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -77.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -814.449247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.449247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.449247 (E_RNA)
where:
Base-Base interactions energy: -565.629
where: short stacking energy: -248.649
Base-Backbone interact. energy: -1.225
local terms energy: -247.595204
where:
bonds (distance) C4'-P energy: -40.313
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -60.751
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -60.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -665.382241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.382241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.382241 (E_RNA)
where:
Base-Base interactions energy: -433.153
where: short stacking energy: -198.178
Base-Backbone interact. energy: -1.097
local terms energy: -231.132480
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -55.149
flat angles C4'-P-C4' energy: -47.602
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -42.539
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: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -628.771477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.771477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.771477 (E_RNA)
where:
Base-Base interactions energy: -408.881
where: short stacking energy: -198.628
Base-Backbone interact. energy: -0.559
local terms energy: -219.331262
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -59.872
flat angles C4'-P-C4' energy: -56.200
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -38.418
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: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -380.968021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.968021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.968021 (E_RNA)
where:
Base-Base interactions energy: -202.119
where: short stacking energy: -102.506
Base-Backbone interact. energy: 2.474
local terms energy: -181.322750
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -29.518
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -395.763911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.763911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.763911 (E_RNA)
where:
Base-Base interactions energy: -230.618
where: short stacking energy: -135.548
Base-Backbone interact. energy: -1.048
local terms energy: -164.097423
where:
bonds (distance) C4'-P energy: -31.422
bonds (distance) P-C4' energy: -47.125
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -14.953
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: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1049.885739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.885739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.885739 (E_RNA)
where:
Base-Base interactions energy: -730.956
where: short stacking energy: -309.803
Base-Backbone interact. energy: -1.984
local terms energy: -316.945756
where:
bonds (distance) C4'-P energy: -54.155
bonds (distance) P-C4' energy: -48.974
flat angles C4'-P-C4' energy: -73.043
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -87.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1026.492278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.492278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.492278 (E_RNA)
where:
Base-Base interactions energy: -718.688
where: short stacking energy: -300.141
Base-Backbone interact. energy: -0.771
local terms energy: -307.033346
where:
bonds (distance) C4'-P energy: -57.727
bonds (distance) P-C4' energy: -58.236
flat angles C4'-P-C4' energy: -73.666
flat angles P-C4'-P energy: -46.540
tors. eta vs tors. theta energy: -70.864
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: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -966.005280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.005280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.005280 (E_RNA)
where:
Base-Base interactions energy: -659.728
where: short stacking energy: -276.943
Base-Backbone interact. energy: -1.495
local terms energy: -304.781842
where:
bonds (distance) C4'-P energy: -54.368
bonds (distance) P-C4' energy: -66.026
flat angles C4'-P-C4' energy: -65.674
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -75.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -977.356626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.356626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.356626 (E_RNA)
where:
Base-Base interactions energy: -677.379
where: short stacking energy: -280.133
Base-Backbone interact. energy: -1.687
local terms energy: -298.290782
where:
bonds (distance) C4'-P energy: -57.296
bonds (distance) P-C4' energy: -61.575
flat angles C4'-P-C4' energy: -60.292
flat angles P-C4'-P energy: -42.357
tors. eta vs tors. theta energy: -76.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -874.092742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.092742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.092742 (E_RNA)
where:
Base-Base interactions energy: -594.271
where: short stacking energy: -280.261
Base-Backbone interact. energy: -1.643
local terms energy: -278.178986
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -53.106
flat angles C4'-P-C4' energy: -66.929
flat angles P-C4'-P energy: -44.297
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: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -818.769483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.769483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.769483 (E_RNA)
where:
Base-Base interactions energy: -560.978
where: short stacking energy: -235.871
Base-Backbone interact. energy: 1.612
local terms energy: -259.403650
where:
bonds (distance) C4'-P energy: -50.012
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -63.723
flat angles P-C4'-P energy: -34.824
tors. eta vs tors. theta energy: -54.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -660.700432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.700432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.700432 (E_RNA)
where:
Base-Base interactions energy: -446.404
where: short stacking energy: -194.988
Base-Backbone interact. energy: 0.657
local terms energy: -214.953307
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -56.911
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -34.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -592.971938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.971938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.971938 (E_RNA)
where:
Base-Base interactions energy: -354.203
where: short stacking energy: -166.083
Base-Backbone interact. energy: -2.942
local terms energy: -235.826598
where:
bonds (distance) C4'-P energy: -53.459
bonds (distance) P-C4' energy: -56.680
flat angles C4'-P-C4' energy: -54.065
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -32.422
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: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -398.384882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.384882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.384882 (E_RNA)
where:
Base-Base interactions energy: -196.167
where: short stacking energy: -110.028
Base-Backbone interact. energy: -0.779
local terms energy: -201.439342
where:
bonds (distance) C4'-P energy: -52.216
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -42.628
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -17.267
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: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -450.939807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.939807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.939807 (E_RNA)
where:
Base-Base interactions energy: -266.186
where: short stacking energy: -142.114
Base-Backbone interact. energy: 1.196
local terms energy: -185.949286
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -48.216
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1056.709245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.709245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.709245 (E_RNA)
where:
Base-Base interactions energy: -734.814
where: short stacking energy: -323.868
Base-Backbone interact. energy: -1.677
local terms energy: -320.218112
where:
bonds (distance) C4'-P energy: -60.339
bonds (distance) P-C4' energy: -58.155
flat angles C4'-P-C4' energy: -71.129
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -83.236
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: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1022.493834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.493834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.493834 (E_RNA)
where:
Base-Base interactions energy: -718.303
where: short stacking energy: -298.303
Base-Backbone interact. energy: -0.193
local terms energy: -303.997686
where:
bonds (distance) C4'-P energy: -60.031
bonds (distance) P-C4' energy: -60.017
flat angles C4'-P-C4' energy: -69.585
flat angles P-C4'-P energy: -37.621
tors. eta vs tors. theta energy: -76.743
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: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1019.115211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.115211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.115211 (E_RNA)
where:
Base-Base interactions energy: -698.876
where: short stacking energy: -312.988
Base-Backbone interact. energy: -0.978
local terms energy: -319.260627
where:
bonds (distance) C4'-P energy: -49.953
bonds (distance) P-C4' energy: -63.792
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -44.008
tors. eta vs tors. theta energy: -91.516
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: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -929.904089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.904089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.904089 (E_RNA)
where:
Base-Base interactions energy: -664.948
where: short stacking energy: -242.955
Base-Backbone interact. energy: 0.262
local terms energy: -265.218122
where:
bonds (distance) C4'-P energy: -48.269
bonds (distance) P-C4' energy: -57.131
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -61.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -889.282141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.282141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.282141 (E_RNA)
where:
Base-Base interactions energy: -605.933
where: short stacking energy: -276.662
Base-Backbone interact. energy: -1.227
local terms energy: -282.121755
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -55.991
flat angles C4'-P-C4' energy: -67.129
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -67.789
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: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -796.171007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.171007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.171007 (E_RNA)
where:
Base-Base interactions energy: -529.947
where: short stacking energy: -237.267
Base-Backbone interact. energy: -1.416
local terms energy: -264.807868
where:
bonds (distance) C4'-P energy: -49.471
bonds (distance) P-C4' energy: -59.854
flat angles C4'-P-C4' energy: -57.620
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -60.734
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: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -648.999414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.999414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.999414 (E_RNA)
where:
Base-Base interactions energy: -423.697
where: short stacking energy: -188.327
Base-Backbone interact. energy: -1.392
local terms energy: -223.910192
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -52.930
flat angles C4'-P-C4' energy: -44.842
flat angles P-C4'-P energy: -36.919
tors. eta vs tors. theta energy: -31.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -628.346739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.346739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.346739 (E_RNA)
where:
Base-Base interactions energy: -395.125
where: short stacking energy: -188.440
Base-Backbone interact. energy: 1.180
local terms energy: -234.401975
where:
bonds (distance) C4'-P energy: -42.908
bonds (distance) P-C4' energy: -55.825
flat angles C4'-P-C4' energy: -60.800
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -36.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -528.948113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.948113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.948113 (E_RNA)
where:
Base-Base interactions energy: -310.645
where: short stacking energy: -151.288
Base-Backbone interact. energy: 0.094
local terms energy: -218.396719
where:
bonds (distance) C4'-P energy: -46.980
bonds (distance) P-C4' energy: -54.178
flat angles C4'-P-C4' energy: -55.499
flat angles P-C4'-P energy: -35.708
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -366.316761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.316761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.316761 (E_RNA)
where:
Base-Base interactions energy: -197.594
where: short stacking energy: -108.540
Base-Backbone interact. energy: -0.426
local terms energy: -168.296692
where:
bonds (distance) C4'-P energy: -46.819
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1051.582879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.582879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.582879 (E_RNA)
where:
Base-Base interactions energy: -736.507
where: short stacking energy: -305.638
Base-Backbone interact. energy: -0.982
local terms energy: -314.093032
where:
bonds (distance) C4'-P energy: -55.068
bonds (distance) P-C4' energy: -64.672
flat angles C4'-P-C4' energy: -63.863
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -83.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1045.630392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.630392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.630392 (E_RNA)
where:
Base-Base interactions energy: -728.623
where: short stacking energy: -311.048
Base-Backbone interact. energy: -0.444
local terms energy: -316.563391
where:
bonds (distance) C4'-P energy: -61.379
bonds (distance) P-C4' energy: -60.169
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -50.876
tors. eta vs tors. theta energy: -82.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1016.632128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.632128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.632128 (E_RNA)
where:
Base-Base interactions energy: -711.275
where: short stacking energy: -307.065
Base-Backbone interact. energy: 0.536
local terms energy: -305.893391
where:
bonds (distance) C4'-P energy: -51.880
bonds (distance) P-C4' energy: -50.704
flat angles C4'-P-C4' energy: -63.901
flat angles P-C4'-P energy: -51.613
tors. eta vs tors. theta energy: -87.795
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: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -964.090017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.090017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.090017 (E_RNA)
where:
Base-Base interactions energy: -682.617
where: short stacking energy: -263.937
Base-Backbone interact. energy: -0.774
local terms energy: -280.698512
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -58.105
flat angles C4'-P-C4' energy: -59.599
flat angles P-C4'-P energy: -42.084
tors. eta vs tors. theta energy: -70.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -883.745634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.745634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.745634 (E_RNA)
where:
Base-Base interactions energy: -611.331
where: short stacking energy: -270.205
Base-Backbone interact. energy: -1.555
local terms energy: -270.859952
where:
bonds (distance) C4'-P energy: -51.886
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -49.494
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: -75.009
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -782.650450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.650450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.650450 (E_RNA)
where:
Base-Base interactions energy: -520.398
where: short stacking energy: -225.204
Base-Backbone interact. energy: -2.722
local terms energy: -259.530564
where:
bonds (distance) C4'-P energy: -48.236
bonds (distance) P-C4' energy: -57.364
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -46.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -634.320777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.320777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.320777 (E_RNA)
where:
Base-Base interactions energy: -415.260
where: short stacking energy: -187.164
Base-Backbone interact. energy: 1.549
local terms energy: -220.609635
where:
bonds (distance) C4'-P energy: -54.974
bonds (distance) P-C4' energy: -56.155
flat angles C4'-P-C4' energy: -40.590
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -647.842814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.842814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.842814 (E_RNA)
where:
Base-Base interactions energy: -420.058
where: short stacking energy: -175.742
Base-Backbone interact. energy: -1.562
local terms energy: -226.223093
where:
bonds (distance) C4'-P energy: -42.839
bonds (distance) P-C4' energy: -59.575
flat angles C4'-P-C4' energy: -50.080
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -41.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -501.361585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.361585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.361585 (E_RNA)
where:
Base-Base interactions energy: -305.037
where: short stacking energy: -149.226
Base-Backbone interact. energy: -0.842
local terms energy: -195.482782
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -46.068
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -345.321193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.321193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.321193 (E_RNA)
where:
Base-Base interactions energy: -157.568
where: short stacking energy: -100.478
Base-Backbone interact. energy: -1.434
local terms energy: -186.319580
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -50.242
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1057.101004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.101004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.101004 (E_RNA)
where:
Base-Base interactions energy: -730.626
where: short stacking energy: -315.277
Base-Backbone interact. energy: -2.836
local terms energy: -323.638546
where:
bonds (distance) C4'-P energy: -57.979
bonds (distance) P-C4' energy: -65.492
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -47.495
tors. eta vs tors. theta energy: -81.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1044.105390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.105390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.105390 (E_RNA)
where:
Base-Base interactions energy: -726.935
where: short stacking energy: -312.722
Base-Backbone interact. energy: -1.533
local terms energy: -315.637885
where:
bonds (distance) C4'-P energy: -59.475
bonds (distance) P-C4' energy: -55.704
flat angles C4'-P-C4' energy: -70.251
flat angles P-C4'-P energy: -50.125
tors. eta vs tors. theta energy: -80.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -964.058795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.058795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.058795 (E_RNA)
where:
Base-Base interactions energy: -670.874
where: short stacking energy: -273.698
Base-Backbone interact. energy: -1.432
local terms energy: -291.752610
where:
bonds (distance) C4'-P energy: -58.248
bonds (distance) P-C4' energy: -49.259
flat angles C4'-P-C4' energy: -66.920
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -78.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1008.598096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.598096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.598096 (E_RNA)
where:
Base-Base interactions energy: -689.858
where: short stacking energy: -304.460
Base-Backbone interact. energy: -0.575
local terms energy: -318.165176
where:
bonds (distance) C4'-P energy: -60.828
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -63.453
flat angles P-C4'-P energy: -45.700
tors. eta vs tors. theta energy: -89.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -882.791210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.791210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.791210 (E_RNA)
where:
Base-Base interactions energy: -615.631
where: short stacking energy: -273.450
Base-Backbone interact. energy: -3.502
local terms energy: -263.658329
where:
bonds (distance) C4'-P energy: -50.718
bonds (distance) P-C4' energy: -51.630
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -41.703
tors. eta vs tors. theta energy: -65.422
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: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -759.686604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.686604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.686604 (E_RNA)
where:
Base-Base interactions energy: -522.497
where: short stacking energy: -219.513
Base-Backbone interact. energy: -1.565
local terms energy: -235.623661
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -65.132
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -39.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -621.362033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.362033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.362033 (E_RNA)
where:
Base-Base interactions energy: -385.249
where: short stacking energy: -172.417
Base-Backbone interact. energy: -0.152
local terms energy: -235.960465
where:
bonds (distance) C4'-P energy: -51.448
bonds (distance) P-C4' energy: -58.932
flat angles C4'-P-C4' energy: -50.442
flat angles P-C4'-P energy: -35.062
tors. eta vs tors. theta energy: -40.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -606.256389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.256389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.256389 (E_RNA)
where:
Base-Base interactions energy: -389.418
where: short stacking energy: -174.469
Base-Backbone interact. energy: -2.124
local terms energy: -214.714892
where:
bonds (distance) C4'-P energy: -52.960
bonds (distance) P-C4' energy: -43.592
flat angles C4'-P-C4' energy: -55.144
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: -26.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -458.604806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.604806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.604806 (E_RNA)
where:
Base-Base interactions energy: -256.704
where: short stacking energy: -136.909
Base-Backbone interact. energy: -0.192
local terms energy: -201.709654
where:
bonds (distance) C4'-P energy: -58.817
bonds (distance) P-C4' energy: -40.638
flat angles C4'-P-C4' energy: -54.861
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -356.739376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.739376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.739376 (E_RNA)
where:
Base-Base interactions energy: -178.586
where: short stacking energy: -115.957
Base-Backbone interact. energy: -1.052
local terms energy: -177.100905
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -60.766
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -29.164
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1050.682212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.682212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.682212 (E_RNA)
where:
Base-Base interactions energy: -721.064
where: short stacking energy: -315.398
Base-Backbone interact. energy: -1.283
local terms energy: -328.335341
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -60.733
flat angles C4'-P-C4' energy: -72.684
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -86.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1012.500876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.500876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.500876 (E_RNA)
where:
Base-Base interactions energy: -715.662
where: short stacking energy: -295.592
Base-Backbone interact. energy: -4.074
local terms energy: -292.764140
where:
bonds (distance) C4'-P energy: -56.526
bonds (distance) P-C4' energy: -61.145
flat angles C4'-P-C4' energy: -61.620
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -74.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -965.961277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.961277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.961277 (E_RNA)
where:
Base-Base interactions energy: -673.890
where: short stacking energy: -269.515
Base-Backbone interact. energy: -0.758
local terms energy: -291.312951
where:
bonds (distance) C4'-P energy: -55.323
bonds (distance) P-C4' energy: -56.582
flat angles C4'-P-C4' energy: -67.478
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -68.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -991.327452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.327452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.327452 (E_RNA)
where:
Base-Base interactions energy: -684.199
where: short stacking energy: -291.323
Base-Backbone interact. energy: -0.866
local terms energy: -306.263115
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -64.012
flat angles C4'-P-C4' energy: -63.512
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -79.448
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: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -913.221024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.221024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.221024 (E_RNA)
where:
Base-Base interactions energy: -627.596
where: short stacking energy: -274.163
Base-Backbone interact. energy: -0.083
local terms energy: -285.541847
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -60.473
flat angles C4'-P-C4' energy: -59.271
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -69.726
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: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -793.737537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.737537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.737537 (E_RNA)
where:
Base-Base interactions energy: -531.931
where: short stacking energy: -237.097
Base-Backbone interact. energy: -1.565
local terms energy: -260.240948
where:
bonds (distance) C4'-P energy: -51.814
bonds (distance) P-C4' energy: -60.316
flat angles C4'-P-C4' energy: -58.738
flat angles P-C4'-P energy: -28.576
tors. eta vs tors. theta energy: -60.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -633.958324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.958324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.958324 (E_RNA)
where:
Base-Base interactions energy: -400.514
where: short stacking energy: -177.097
Base-Backbone interact. energy: -0.259
local terms energy: -233.184374
where:
bonds (distance) C4'-P energy: -41.947
bonds (distance) P-C4' energy: -60.246
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -40.370
tors. eta vs tors. theta energy: -34.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -574.191024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.191024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.191024 (E_RNA)
where:
Base-Base interactions energy: -356.943
where: short stacking energy: -163.565
Base-Backbone interact. energy: -1.436
local terms energy: -215.812687
where:
bonds (distance) C4'-P energy: -53.756
bonds (distance) P-C4' energy: -50.444
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -32.784
tors. eta vs tors. theta energy: -31.364
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: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -429.797826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.797826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.797826 (E_RNA)
where:
Base-Base interactions energy: -234.140
where: short stacking energy: -131.434
Base-Backbone interact. energy: -0.565
local terms energy: -195.092953
where:
bonds (distance) C4'-P energy: -50.050
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -47.104
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -11.875
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: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -368.371648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.371648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.371648 (E_RNA)
where:
Base-Base interactions energy: -182.483
where: short stacking energy: -100.543
Base-Backbone interact. energy: 4.004
local terms energy: -189.892650
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -64.268
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1062.395809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.395809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.395809 (E_RNA)
where:
Base-Base interactions energy: -754.560
where: short stacking energy: -326.137
Base-Backbone interact. energy: -1.080
local terms energy: -306.755451
where:
bonds (distance) C4'-P energy: -60.209
bonds (distance) P-C4' energy: -59.568
flat angles C4'-P-C4' energy: -64.400
flat angles P-C4'-P energy: -32.430
tors. eta vs tors. theta energy: -90.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1028.500855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.500855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.500855 (E_RNA)
where:
Base-Base interactions energy: -715.930
where: short stacking energy: -296.454
Base-Backbone interact. energy: -5.101
local terms energy: -307.469640
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -66.656
flat angles C4'-P-C4' energy: -63.915
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -73.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1015.325895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.325895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.325895 (E_RNA)
where:
Base-Base interactions energy: -713.945
where: short stacking energy: -307.671
Base-Backbone interact. energy: -1.357
local terms energy: -300.024483
where:
bonds (distance) C4'-P energy: -53.484
bonds (distance) P-C4' energy: -57.413
flat angles C4'-P-C4' energy: -66.286
flat angles P-C4'-P energy: -43.574
tors. eta vs tors. theta energy: -79.266
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: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -933.625885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.625885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.625885 (E_RNA)
where:
Base-Base interactions energy: -652.096
where: short stacking energy: -258.881
Base-Backbone interact. energy: -0.665
local terms energy: -280.865185
where:
bonds (distance) C4'-P energy: -54.057
bonds (distance) P-C4' energy: -56.685
flat angles C4'-P-C4' energy: -59.978
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -79.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -916.068484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.068484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.068484 (E_RNA)
where:
Base-Base interactions energy: -618.950
where: short stacking energy: -271.983
Base-Backbone interact. energy: 0.818
local terms energy: -297.936914
where:
bonds (distance) C4'-P energy: -52.013
bonds (distance) P-C4' energy: -66.269
flat angles C4'-P-C4' energy: -58.968
flat angles P-C4'-P energy: -47.658
tors. eta vs tors. theta energy: -73.029
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: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -812.212254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.212254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.212254 (E_RNA)
where:
Base-Base interactions energy: -553.305
where: short stacking energy: -236.935
Base-Backbone interact. energy: -1.336
local terms energy: -257.571722
where:
bonds (distance) C4'-P energy: -54.842
bonds (distance) P-C4' energy: -45.485
flat angles C4'-P-C4' energy: -51.459
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -59.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -704.623733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.623733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.623733 (E_RNA)
where:
Base-Base interactions energy: -470.059
where: short stacking energy: -202.227
Base-Backbone interact. energy: -1.082
local terms energy: -233.482958
where:
bonds (distance) C4'-P energy: -45.661
bonds (distance) P-C4' energy: -57.583
flat angles C4'-P-C4' energy: -55.444
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -39.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -610.766784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.766784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.766784 (E_RNA)
where:
Base-Base interactions energy: -378.826
where: short stacking energy: -169.548
Base-Backbone interact. energy: -3.162
local terms energy: -228.778132
where:
bonds (distance) C4'-P energy: -52.828
bonds (distance) P-C4' energy: -67.526
flat angles C4'-P-C4' energy: -46.975
flat angles P-C4'-P energy: -37.714
tors. eta vs tors. theta energy: -23.736
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: 64
Temperature: 1.300000
Total energy: -467.347432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.347432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.347432 (E_RNA)
where:
Base-Base interactions energy: -271.536
where: short stacking energy: -132.972
Base-Backbone interact. energy: -0.803
local terms energy: -195.008479
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -47.480
flat angles C4'-P-C4' energy: -48.428
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -359.734770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.734770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.734770 (E_RNA)
where:
Base-Base interactions energy: -191.811
where: short stacking energy: -89.000
Base-Backbone interact. energy: -2.320
local terms energy: -165.603504
where:
bonds (distance) C4'-P energy: -48.813
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -52.580
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: 2.811
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: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1060.692345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.692345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.692345 (E_RNA)
where:
Base-Base interactions energy: -743.241
where: short stacking energy: -308.394
Base-Backbone interact. energy: -2.451
local terms energy: -315.000117
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -67.822
flat angles P-C4'-P energy: -51.118
tors. eta vs tors. theta energy: -75.439
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: 65
Temperature: 0.950000
Total energy: -1029.496206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.496206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.496206 (E_RNA)
where:
Base-Base interactions energy: -725.555
where: short stacking energy: -309.471
Base-Backbone interact. energy: -3.634
local terms energy: -300.307325
where:
bonds (distance) C4'-P energy: -48.155
bonds (distance) P-C4' energy: -54.720
flat angles C4'-P-C4' energy: -71.991
flat angles P-C4'-P energy: -46.198
tors. eta vs tors. theta energy: -79.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1023.428668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.428668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.428668 (E_RNA)
where:
Base-Base interactions energy: -695.162
where: short stacking energy: -297.394
Base-Backbone interact. energy: -1.907
local terms energy: -326.360134
where:
bonds (distance) C4'-P energy: -58.567
bonds (distance) P-C4' energy: -53.517
flat angles C4'-P-C4' energy: -67.634
flat angles P-C4'-P energy: -57.889
tors. eta vs tors. theta energy: -88.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -934.634488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.634488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.634488 (E_RNA)
where:
Base-Base interactions energy: -648.604
where: short stacking energy: -262.921
Base-Backbone interact. energy: -1.491
local terms energy: -284.539765
where:
bonds (distance) C4'-P energy: -58.815
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -62.632
flat angles P-C4'-P energy: -43.290
tors. eta vs tors. theta energy: -81.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -863.572983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.572983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.572983 (E_RNA)
where:
Base-Base interactions energy: -587.296
where: short stacking energy: -258.912
Base-Backbone interact. energy: -3.126
local terms energy: -273.151111
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -59.653
flat angles C4'-P-C4' energy: -53.123
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -61.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -811.356677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.356677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.356677 (E_RNA)
where:
Base-Base interactions energy: -544.876
where: short stacking energy: -242.418
Base-Backbone interact. energy: -1.230
local terms energy: -265.250103
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -64.400
flat angles C4'-P-C4' energy: -64.807
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -58.205
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: 65
Temperature: 1.200000
Total energy: -739.821092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.821092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.821092 (E_RNA)
where:
Base-Base interactions energy: -497.278
where: short stacking energy: -218.937
Base-Backbone interact. energy: -0.707
local terms energy: -241.835508
where:
bonds (distance) C4'-P energy: -37.457
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -66.010
flat angles P-C4'-P energy: -35.265
tors. eta vs tors. theta energy: -54.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -599.602080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.602080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.602080 (E_RNA)
where:
Base-Base interactions energy: -401.974
where: short stacking energy: -177.250
Base-Backbone interact. energy: -1.023
local terms energy: -196.604545
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -42.377
tors. eta vs tors. theta energy: -31.831
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: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -453.613839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.613839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.613839 (E_RNA)
where:
Base-Base interactions energy: -244.915
where: short stacking energy: -123.809
Base-Backbone interact. energy: 6.521
local terms energy: -215.219171
where:
bonds (distance) C4'-P energy: -47.978
bonds (distance) P-C4' energy: -62.622
flat angles C4'-P-C4' energy: -49.615
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -362.410109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.410109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.410109 (E_RNA)
where:
Base-Base interactions energy: -181.276
where: short stacking energy: -121.163
Base-Backbone interact. energy: -1.158
local terms energy: -179.976427
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -50.992
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1040.394955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.394955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.394955 (E_RNA)
where:
Base-Base interactions energy: -734.835
where: short stacking energy: -300.017
Base-Backbone interact. energy: -0.906
local terms energy: -304.654449
where:
bonds (distance) C4'-P energy: -61.054
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -63.217
flat angles P-C4'-P energy: -42.088
tors. eta vs tors. theta energy: -78.095
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: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1033.177582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.177582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.177582 (E_RNA)
where:
Base-Base interactions energy: -725.056
where: short stacking energy: -311.392
Base-Backbone interact. energy: -2.554
local terms energy: -305.567135
where:
bonds (distance) C4'-P energy: -49.745
bonds (distance) P-C4' energy: -60.481
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -44.846
tors. eta vs tors. theta energy: -83.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1040.002136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.002136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.002136 (E_RNA)
where:
Base-Base interactions energy: -708.931
where: short stacking energy: -315.630
Base-Backbone interact. energy: -2.228
local terms energy: -328.842864
where:
bonds (distance) C4'-P energy: -66.174
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -59.526
flat angles P-C4'-P energy: -51.597
tors. eta vs tors. theta energy: -94.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -944.400008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.400008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.400008 (E_RNA)
where:
Base-Base interactions energy: -655.342
where: short stacking energy: -263.456
Base-Backbone interact. energy: -1.571
local terms energy: -287.486705
where:
bonds (distance) C4'-P energy: -60.064
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -56.351
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: -69.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -880.697834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.697834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.697834 (E_RNA)
where:
Base-Base interactions energy: -603.996
where: short stacking energy: -271.387
Base-Backbone interact. energy: -1.287
local terms energy: -275.414833
where:
bonds (distance) C4'-P energy: -49.320
bonds (distance) P-C4' energy: -55.210
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -63.580
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: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -800.754671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.754671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.754671 (E_RNA)
where:
Base-Base interactions energy: -536.155
where: short stacking energy: -225.118
Base-Backbone interact. energy: -1.149
local terms energy: -263.450714
where:
bonds (distance) C4'-P energy: -48.205
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -55.434
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -62.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -711.934678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.934678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.934678 (E_RNA)
where:
Base-Base interactions energy: -469.724
where: short stacking energy: -198.397
Base-Backbone interact. energy: -1.892
local terms energy: -240.318873
where:
bonds (distance) C4'-P energy: -59.277
bonds (distance) P-C4' energy: -49.350
flat angles C4'-P-C4' energy: -51.429
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: -44.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -684.735793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.735793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.735793 (E_RNA)
where:
Base-Base interactions energy: -442.827
where: short stacking energy: -220.802
Base-Backbone interact. energy: -0.855
local terms energy: -241.053607
where:
bonds (distance) C4'-P energy: -46.875
bonds (distance) P-C4' energy: -53.793
flat angles C4'-P-C4' energy: -55.810
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -52.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -429.640607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.640607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.640607 (E_RNA)
where:
Base-Base interactions energy: -224.384
where: short stacking energy: -110.846
Base-Backbone interact. energy: 1.327
local terms energy: -206.583791
where:
bonds (distance) C4'-P energy: -46.769
bonds (distance) P-C4' energy: -53.798
flat angles C4'-P-C4' energy: -55.351
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -372.105153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.105153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.105153 (E_RNA)
where:
Base-Base interactions energy: -205.685
where: short stacking energy: -116.543
Base-Backbone interact. energy: 5.411
local terms energy: -171.831573
where:
bonds (distance) C4'-P energy: -54.244
bonds (distance) P-C4' energy: -44.670
flat angles C4'-P-C4' energy: -39.964
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -5.714
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: 67
Temperature: 0.900000
Total energy: -1041.168626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.168626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.168626 (E_RNA)
where:
Base-Base interactions energy: -743.664
where: short stacking energy: -304.687
Base-Backbone interact. energy: 0.287
local terms energy: -297.791349
where:
bonds (distance) C4'-P energy: -57.033
bonds (distance) P-C4' energy: -64.080
flat angles C4'-P-C4' energy: -70.796
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -73.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1051.154865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.154865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.154865 (E_RNA)
where:
Base-Base interactions energy: -730.397
where: short stacking energy: -322.796
Base-Backbone interact. energy: -1.241
local terms energy: -319.517091
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -57.292
flat angles C4'-P-C4' energy: -69.770
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -89.253
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: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1016.466830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.466830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.466830 (E_RNA)
where:
Base-Base interactions energy: -694.556
where: short stacking energy: -305.335
Base-Backbone interact. energy: -2.997
local terms energy: -318.914489
where:
bonds (distance) C4'-P energy: -62.158
bonds (distance) P-C4' energy: -65.004
flat angles C4'-P-C4' energy: -59.288
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -92.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -953.026364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.026364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.026364 (E_RNA)
where:
Base-Base interactions energy: -678.586
where: short stacking energy: -277.666
Base-Backbone interact. energy: -1.907
local terms energy: -272.532718
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -64.154
flat angles C4'-P-C4' energy: -57.372
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -80.531
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: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -912.367462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.367462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.367462 (E_RNA)
where:
Base-Base interactions energy: -617.016
where: short stacking energy: -261.944
Base-Backbone interact. energy: -1.638
local terms energy: -293.713739
where:
bonds (distance) C4'-P energy: -63.997
bonds (distance) P-C4' energy: -62.274
flat angles C4'-P-C4' energy: -64.969
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -66.515
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: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -783.327113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.327113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.327113 (E_RNA)
where:
Base-Base interactions energy: -517.298
where: short stacking energy: -220.171
Base-Backbone interact. energy: 4.810
local terms energy: -270.839255
where:
bonds (distance) C4'-P energy: -46.011
bonds (distance) P-C4' energy: -67.778
flat angles C4'-P-C4' energy: -55.665
flat angles P-C4'-P energy: -50.390
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: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -714.208748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.208748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.208748 (E_RNA)
where:
Base-Base interactions energy: -465.091
where: short stacking energy: -220.299
Base-Backbone interact. energy: -0.112
local terms energy: -249.005902
where:
bonds (distance) C4'-P energy: -47.963
bonds (distance) P-C4' energy: -60.205
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -53.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -661.654952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.654952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.654952 (E_RNA)
where:
Base-Base interactions energy: -429.279
where: short stacking energy: -197.557
Base-Backbone interact. energy: -0.371
local terms energy: -232.005140
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -55.696
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -38.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -457.996168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.996168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.996168 (E_RNA)
where:
Base-Base interactions energy: -275.506
where: short stacking energy: -145.607
Base-Backbone interact. energy: 1.616
local terms energy: -184.105479
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -50.425
flat angles C4'-P-C4' energy: -52.962
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -20.981
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: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -402.624841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.624841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.624841 (E_RNA)
where:
Base-Base interactions energy: -233.568
where: short stacking energy: -125.805
Base-Backbone interact. energy: 1.410
local terms energy: -170.467314
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -57.322
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1078.217251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.217251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.217251 (E_RNA)
where:
Base-Base interactions energy: -749.080
where: short stacking energy: -326.320
Base-Backbone interact. energy: -0.027
local terms energy: -329.110068
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -63.089
flat angles C4'-P-C4' energy: -65.256
flat angles P-C4'-P energy: -47.259
tors. eta vs tors. theta energy: -95.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1023.563611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.563611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.563611 (E_RNA)
where:
Base-Base interactions energy: -711.366
where: short stacking energy: -302.020
Base-Backbone interact. energy: -3.130
local terms energy: -309.067954
where:
bonds (distance) C4'-P energy: -62.570
bonds (distance) P-C4' energy: -68.430
flat angles C4'-P-C4' energy: -64.455
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -72.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1003.260717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.260717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.260717 (E_RNA)
where:
Base-Base interactions energy: -721.752
where: short stacking energy: -320.016
Base-Backbone interact. energy: 2.342
local terms energy: -283.850205
where:
bonds (distance) C4'-P energy: -45.876
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -64.356
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -84.455
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: 68
Temperature: 1.050000
Total energy: -936.630944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.630944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.630944 (E_RNA)
where:
Base-Base interactions energy: -677.472
where: short stacking energy: -278.247
Base-Backbone interact. energy: -1.014
local terms energy: -258.145784
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -73.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -885.245198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.245198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.245198 (E_RNA)
where:
Base-Base interactions energy: -609.362
where: short stacking energy: -251.352
Base-Backbone interact. energy: -2.006
local terms energy: -273.876890
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -64.994
flat angles C4'-P-C4' energy: -58.267
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -65.434
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: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -814.855675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.855675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.855675 (E_RNA)
where:
Base-Base interactions energy: -538.195
where: short stacking energy: -239.639
Base-Backbone interact. energy: -0.888
local terms energy: -275.772272
where:
bonds (distance) C4'-P energy: -52.918
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -60.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -699.994627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.994627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.994627 (E_RNA)
where:
Base-Base interactions energy: -450.655
where: short stacking energy: -223.833
Base-Backbone interact. energy: 1.824
local terms energy: -251.163831
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -51.737
flat angles C4'-P-C4' energy: -63.766
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -45.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -607.807043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.807043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.807043 (E_RNA)
where:
Base-Base interactions energy: -382.949
where: short stacking energy: -165.426
Base-Backbone interact. energy: 0.419
local terms energy: -225.276404
where:
bonds (distance) C4'-P energy: -54.804
bonds (distance) P-C4' energy: -51.577
flat angles C4'-P-C4' energy: -44.480
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -33.950
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: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -475.431014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.431014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.431014 (E_RNA)
where:
Base-Base interactions energy: -284.436
where: short stacking energy: -145.225
Base-Backbone interact. energy: 3.804
local terms energy: -194.799175
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -49.232
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -423.628480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.628480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.628480 (E_RNA)
where:
Base-Base interactions energy: -233.309
where: short stacking energy: -119.910
Base-Backbone interact. energy: 0.293
local terms energy: -190.612455
where:
bonds (distance) C4'-P energy: -44.146
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -47.356
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1096.787624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.787624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.787624 (E_RNA)
where:
Base-Base interactions energy: -764.165
where: short stacking energy: -329.380
Base-Backbone interact. energy: -2.657
local terms energy: -329.965027
where:
bonds (distance) C4'-P energy: -60.834
bonds (distance) P-C4' energy: -60.874
flat angles C4'-P-C4' energy: -72.564
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -94.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1023.194142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.194142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.194142 (E_RNA)
where:
Base-Base interactions energy: -716.490
where: short stacking energy: -291.926
Base-Backbone interact. energy: -1.869
local terms energy: -304.834810
where:
bonds (distance) C4'-P energy: -58.944
bonds (distance) P-C4' energy: -66.166
flat angles C4'-P-C4' energy: -67.520
flat angles P-C4'-P energy: -41.179
tors. eta vs tors. theta energy: -71.026
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: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1027.689979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.689979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.689979 (E_RNA)
where:
Base-Base interactions energy: -726.084
where: short stacking energy: -317.743
Base-Backbone interact. energy: -0.268
local terms energy: -301.338065
where:
bonds (distance) C4'-P energy: -48.570
bonds (distance) P-C4' energy: -61.538
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -88.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -951.818723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.818723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.818723 (E_RNA)
where:
Base-Base interactions energy: -659.713
where: short stacking energy: -255.722
Base-Backbone interact. energy: -0.549
local terms energy: -291.557085
where:
bonds (distance) C4'-P energy: -56.396
bonds (distance) P-C4' energy: -55.091
flat angles C4'-P-C4' energy: -63.544
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -72.995
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: 69
Temperature: 1.100000
Total energy: -900.186009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.186009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.186009 (E_RNA)
where:
Base-Base interactions energy: -607.889
where: short stacking energy: -261.042
Base-Backbone interact. energy: 0.168
local terms energy: -292.465149
where:
bonds (distance) C4'-P energy: -45.490
bonds (distance) P-C4' energy: -60.122
flat angles C4'-P-C4' energy: -67.921
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -71.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -785.906032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.906032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.906032 (E_RNA)
where:
Base-Base interactions energy: -537.056
where: short stacking energy: -225.282
Base-Backbone interact. energy: -1.338
local terms energy: -247.512460
where:
bonds (distance) C4'-P energy: -53.961
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -51.807
flat angles P-C4'-P energy: -34.661
tors. eta vs tors. theta energy: -49.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -698.894927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.894927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.894927 (E_RNA)
where:
Base-Base interactions energy: -453.545
where: short stacking energy: -210.643
Base-Backbone interact. energy: -0.232
local terms energy: -245.118429
where:
bonds (distance) C4'-P energy: -54.011
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -60.785
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -41.182
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: 69
Temperature: 1.250000
Total energy: -645.005932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.005932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.005932 (E_RNA)
where:
Base-Base interactions energy: -427.678
where: short stacking energy: -202.311
Base-Backbone interact. energy: 0.258
local terms energy: -217.586470
where:
bonds (distance) C4'-P energy: -43.831
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -68.350
flat angles P-C4'-P energy: -26.655
tors. eta vs tors. theta energy: -40.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -449.549159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.549159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.549159 (E_RNA)
where:
Base-Base interactions energy: -250.516
where: short stacking energy: -131.103
Base-Backbone interact. energy: -1.888
local terms energy: -197.145522
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -55.474
flat angles C4'-P-C4' energy: -40.047
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -14.892
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: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -387.638107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.638107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.638107 (E_RNA)
where:
Base-Base interactions energy: -220.343
where: short stacking energy: -98.338
Base-Backbone interact. energy: -2.427
local terms energy: -164.868662
where:
bonds (distance) C4'-P energy: -44.607
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -44.069
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1082.747486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.747486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.747486 (E_RNA)
where:
Base-Base interactions energy: -741.242
where: short stacking energy: -330.272
Base-Backbone interact. energy: -0.368
local terms energy: -341.137481
where:
bonds (distance) C4'-P energy: -65.908
bonds (distance) P-C4' energy: -65.781
flat angles C4'-P-C4' energy: -72.645
flat angles P-C4'-P energy: -41.054
tors. eta vs tors. theta energy: -95.749
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: 70
Temperature: 0.950000
Total energy: -1038.378085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.378085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.378085 (E_RNA)
where:
Base-Base interactions energy: -752.635
where: short stacking energy: -309.607
Base-Backbone interact. energy: 4.353
local terms energy: -290.096166
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -60.198
flat angles C4'-P-C4' energy: -61.353
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -75.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1012.014936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.014936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.014936 (E_RNA)
where:
Base-Base interactions energy: -703.623
where: short stacking energy: -309.516
Base-Backbone interact. energy: -0.141
local terms energy: -308.250845
where:
bonds (distance) C4'-P energy: -58.916
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -67.589
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -87.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -986.248455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.248455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.248455 (E_RNA)
where:
Base-Base interactions energy: -680.360
where: short stacking energy: -264.789
Base-Backbone interact. energy: 4.131
local terms energy: -310.018842
where:
bonds (distance) C4'-P energy: -57.638
bonds (distance) P-C4' energy: -65.911
flat angles C4'-P-C4' energy: -66.072
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -76.604
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: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -890.872608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.872608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.872608 (E_RNA)
where:
Base-Base interactions energy: -614.095
where: short stacking energy: -273.563
Base-Backbone interact. energy: -3.380
local terms energy: -273.396990
where:
bonds (distance) C4'-P energy: -58.133
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -55.292
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -71.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -811.238377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.238377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.238377 (E_RNA)
where:
Base-Base interactions energy: -531.040
where: short stacking energy: -239.805
Base-Backbone interact. energy: -1.906
local terms energy: -278.292988
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -56.308
flat angles C4'-P-C4' energy: -71.436
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -55.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -661.045787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.045787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.045787 (E_RNA)
where:
Base-Base interactions energy: -431.744
where: short stacking energy: -185.669
Base-Backbone interact. energy: 1.147
local terms energy: -230.448036
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -64.239
flat angles C4'-P-C4' energy: -49.848
flat angles P-C4'-P energy: -29.748
tors. eta vs tors. theta energy: -31.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -658.913167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.913167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.913167 (E_RNA)
where:
Base-Base interactions energy: -430.769
where: short stacking energy: -195.806
Base-Backbone interact. energy: -0.420
local terms energy: -227.724414
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -55.181
flat angles C4'-P-C4' energy: -52.446
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -461.008177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.008177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.008177 (E_RNA)
where:
Base-Base interactions energy: -251.856
where: short stacking energy: -131.970
Base-Backbone interact. energy: -1.075
local terms energy: -208.076761
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -346.059549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.059549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.059549 (E_RNA)
where:
Base-Base interactions energy: -163.694
where: short stacking energy: -99.734
Base-Backbone interact. energy: -0.473
local terms energy: -181.893440
where:
bonds (distance) C4'-P energy: -49.293
bonds (distance) P-C4' energy: -59.749
flat angles C4'-P-C4' energy: -40.377
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1093.486856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.486856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.486856 (E_RNA)
where:
Base-Base interactions energy: -767.965
where: short stacking energy: -332.424
Base-Backbone interact. energy: -0.641
local terms energy: -324.881057
where:
bonds (distance) C4'-P energy: -59.515
bonds (distance) P-C4' energy: -57.245
flat angles C4'-P-C4' energy: -69.384
flat angles P-C4'-P energy: -48.669
tors. eta vs tors. theta energy: -90.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1019.350578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.350578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.350578 (E_RNA)
where:
Base-Base interactions energy: -721.369
where: short stacking energy: -291.883
Base-Backbone interact. energy: -1.624
local terms energy: -296.357371
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -51.586
flat angles C4'-P-C4' energy: -60.850
flat angles P-C4'-P energy: -47.700
tors. eta vs tors. theta energy: -74.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1021.628137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.628137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.628137 (E_RNA)
where:
Base-Base interactions energy: -709.719
where: short stacking energy: -307.988
Base-Backbone interact. energy: -1.368
local terms energy: -310.541732
where:
bonds (distance) C4'-P energy: -57.475
bonds (distance) P-C4' energy: -57.217
flat angles C4'-P-C4' energy: -67.417
flat angles P-C4'-P energy: -47.001
tors. eta vs tors. theta energy: -81.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -985.721116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.721116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.721116 (E_RNA)
where:
Base-Base interactions energy: -671.143
where: short stacking energy: -274.353
Base-Backbone interact. energy: -1.815
local terms energy: -312.762161
where:
bonds (distance) C4'-P energy: -57.127
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -72.812
flat angles P-C4'-P energy: -45.017
tors. eta vs tors. theta energy: -80.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -907.957041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.957041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.957041 (E_RNA)
where:
Base-Base interactions energy: -630.570
where: short stacking energy: -275.553
Base-Backbone interact. energy: -1.603
local terms energy: -275.783981
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -59.599
flat angles C4'-P-C4' energy: -58.883
flat angles P-C4'-P energy: -38.144
tors. eta vs tors. theta energy: -79.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -815.368632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.368632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.368632 (E_RNA)
where:
Base-Base interactions energy: -553.689
where: short stacking energy: -223.808
Base-Backbone interact. energy: 1.212
local terms energy: -262.891576
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -66.164
flat angles C4'-P-C4' energy: -48.220
flat angles P-C4'-P energy: -32.090
tors. eta vs tors. theta energy: -56.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -683.125434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.125434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.125434 (E_RNA)
where:
Base-Base interactions energy: -456.981
where: short stacking energy: -190.389
Base-Backbone interact. energy: -1.255
local terms energy: -224.889384
where:
bonds (distance) C4'-P energy: -51.836
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -60.306
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -35.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -670.450506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.450506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.450506 (E_RNA)
where:
Base-Base interactions energy: -440.589
where: short stacking energy: -215.513
Base-Backbone interact. energy: 1.683
local terms energy: -231.545464
where:
bonds (distance) C4'-P energy: -48.308
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -44.678
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: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -446.850196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.850196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.850196 (E_RNA)
where:
Base-Base interactions energy: -220.359
where: short stacking energy: -122.643
Base-Backbone interact. energy: -1.745
local terms energy: -224.746449
where:
bonds (distance) C4'-P energy: -44.736
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -46.904
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -359.146224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.146224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.146224 (E_RNA)
where:
Base-Base interactions energy: -171.562
where: short stacking energy: -101.735
Base-Backbone interact. energy: 0.876
local terms energy: -188.459592
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -63.154
flat angles C4'-P-C4' energy: -41.058
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1078.852636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.852636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.852636 (E_RNA)
where:
Base-Base interactions energy: -747.051
where: short stacking energy: -337.018
Base-Backbone interact. energy: -1.031
local terms energy: -330.770538
where:
bonds (distance) C4'-P energy: -65.235
bonds (distance) P-C4' energy: -58.428
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -96.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1013.997675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.997675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.997675 (E_RNA)
where:
Base-Base interactions energy: -712.740
where: short stacking energy: -292.216
Base-Backbone interact. energy: -0.459
local terms energy: -300.798343
where:
bonds (distance) C4'-P energy: -63.509
bonds (distance) P-C4' energy: -56.504
flat angles C4'-P-C4' energy: -60.746
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: -80.330
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: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -987.048174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.048174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.048174 (E_RNA)
where:
Base-Base interactions energy: -712.330
where: short stacking energy: -304.911
Base-Backbone interact. energy: 0.219
local terms energy: -274.936774
where:
bonds (distance) C4'-P energy: -53.385
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -81.867
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: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -992.267487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.267487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.267487 (E_RNA)
where:
Base-Base interactions energy: -694.300
where: short stacking energy: -281.107
Base-Backbone interact. energy: -1.059
local terms energy: -296.908233
where:
bonds (distance) C4'-P energy: -59.319
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -65.795
flat angles P-C4'-P energy: -45.560
tors. eta vs tors. theta energy: -74.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -839.235502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.235502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.235502 (E_RNA)
where:
Base-Base interactions energy: -576.863
where: short stacking energy: -248.715
Base-Backbone interact. energy: -1.566
local terms energy: -260.806327
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -50.933
flat angles C4'-P-C4' energy: -63.440
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -58.490
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: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -874.715837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.715837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.715837 (E_RNA)
where:
Base-Base interactions energy: -606.637
where: short stacking energy: -269.625
Base-Backbone interact. energy: -1.415
local terms energy: -266.663651
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -51.641
flat angles C4'-P-C4' energy: -61.989
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -71.241
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: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -685.057829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.057829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.057829 (E_RNA)
where:
Base-Base interactions energy: -436.597
where: short stacking energy: -209.471
Base-Backbone interact. energy: 0.114
local terms energy: -248.575687
where:
bonds (distance) C4'-P energy: -59.281
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -60.260
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -48.823
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: 72
Temperature: 1.250000
Total energy: -654.244730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.244730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.244730 (E_RNA)
where:
Base-Base interactions energy: -425.621
where: short stacking energy: -192.329
Base-Backbone interact. energy: -0.793
local terms energy: -227.830554
where:
bonds (distance) C4'-P energy: -55.997
bonds (distance) P-C4' energy: -45.712
flat angles C4'-P-C4' energy: -47.870
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -39.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -483.119411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.119411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.119411 (E_RNA)
where:
Base-Base interactions energy: -284.516
where: short stacking energy: -130.641
Base-Backbone interact. energy: -0.335
local terms energy: -198.268347
where:
bonds (distance) C4'-P energy: -49.041
bonds (distance) P-C4' energy: -63.274
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -373.027746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.027746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.027746 (E_RNA)
where:
Base-Base interactions energy: -183.445
where: short stacking energy: -129.143
Base-Backbone interact. energy: 1.128
local terms energy: -190.710018
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -47.438
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1086.834338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.834338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.834338 (E_RNA)
where:
Base-Base interactions energy: -768.234
where: short stacking energy: -332.702
Base-Backbone interact. energy: -1.594
local terms energy: -317.005994
where:
bonds (distance) C4'-P energy: -55.331
bonds (distance) P-C4' energy: -59.628
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -42.912
tors. eta vs tors. theta energy: -97.785
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: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -995.245078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.245078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.245078 (E_RNA)
where:
Base-Base interactions energy: -678.186
where: short stacking energy: -300.918
Base-Backbone interact. energy: -2.295
local terms energy: -314.763918
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -64.793
flat angles P-C4'-P energy: -47.544
tors. eta vs tors. theta energy: -75.438
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: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -984.689011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.689011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.689011 (E_RNA)
where:
Base-Base interactions energy: -680.058
where: short stacking energy: -296.122
Base-Backbone interact. energy: 1.308
local terms energy: -305.939105
where:
bonds (distance) C4'-P energy: -59.868
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -69.648
flat angles P-C4'-P energy: -43.666
tors. eta vs tors. theta energy: -77.939
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1001.332050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.332050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.332050 (E_RNA)
where:
Base-Base interactions energy: -698.143
where: short stacking energy: -284.966
Base-Backbone interact. energy: -0.284
local terms energy: -302.904654
where:
bonds (distance) C4'-P energy: -53.238
bonds (distance) P-C4' energy: -63.133
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: -87.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -842.792746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.792746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.792746 (E_RNA)
where:
Base-Base interactions energy: -572.134
where: short stacking energy: -238.152
Base-Backbone interact. energy: 0.210
local terms energy: -270.868223
where:
bonds (distance) C4'-P energy: -48.110
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -66.878
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -62.504
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: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -872.146486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.146486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.146486 (E_RNA)
where:
Base-Base interactions energy: -596.310
where: short stacking energy: -253.908
Base-Backbone interact. energy: 0.198
local terms energy: -276.035241
where:
bonds (distance) C4'-P energy: -50.232
bonds (distance) P-C4' energy: -56.794
flat angles C4'-P-C4' energy: -56.903
flat angles P-C4'-P energy: -39.347
tors. eta vs tors. theta energy: -72.759
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: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -674.016783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.016783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.016783 (E_RNA)
where:
Base-Base interactions energy: -432.631
where: short stacking energy: -213.481
Base-Backbone interact. energy: -0.313
local terms energy: -241.072788
where:
bonds (distance) C4'-P energy: -44.171
bonds (distance) P-C4' energy: -55.777
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -45.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -674.905947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.905947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.905947 (E_RNA)
where:
Base-Base interactions energy: -443.951
where: short stacking energy: -205.833
Base-Backbone interact. energy: -0.960
local terms energy: -229.994383
where:
bonds (distance) C4'-P energy: -60.326
bonds (distance) P-C4' energy: -50.173
flat angles C4'-P-C4' energy: -45.646
flat angles P-C4'-P energy: -28.129
tors. eta vs tors. theta energy: -45.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -477.563327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.563327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.563327 (E_RNA)
where:
Base-Base interactions energy: -288.593
where: short stacking energy: -136.233
Base-Backbone interact. energy: 0.116
local terms energy: -189.086588
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -36.570
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -371.839383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.839383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.839383 (E_RNA)
where:
Base-Base interactions energy: -201.830
where: short stacking energy: -131.896
Base-Backbone interact. energy: -0.346
local terms energy: -169.662972
where:
bonds (distance) C4'-P energy: -43.387
bonds (distance) P-C4' energy: -54.610
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1082.317647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.317647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.317647 (E_RNA)
where:
Base-Base interactions energy: -752.444
where: short stacking energy: -332.399
Base-Backbone interact. energy: -1.053
local terms energy: -328.820244
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -58.496
flat angles C4'-P-C4' energy: -69.270
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -90.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1012.306673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.306673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.306673 (E_RNA)
where:
Base-Base interactions energy: -713.248
where: short stacking energy: -300.251
Base-Backbone interact. energy: -3.098
local terms energy: -295.959914
where:
bonds (distance) C4'-P energy: -59.909
bonds (distance) P-C4' energy: -66.579
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -65.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1014.265254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.265254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.265254 (E_RNA)
where:
Base-Base interactions energy: -697.816
where: short stacking energy: -317.325
Base-Backbone interact. energy: -0.735
local terms energy: -315.714893
where:
bonds (distance) C4'-P energy: -49.418
bonds (distance) P-C4' energy: -57.710
flat angles C4'-P-C4' energy: -67.011
flat angles P-C4'-P energy: -49.054
tors. eta vs tors. theta energy: -92.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -983.107904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.107904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.107904 (E_RNA)
where:
Base-Base interactions energy: -687.388
where: short stacking energy: -278.976
Base-Backbone interact. energy: -3.685
local terms energy: -292.034280
where:
bonds (distance) C4'-P energy: -53.301
bonds (distance) P-C4' energy: -61.651
flat angles C4'-P-C4' energy: -60.173
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -80.003
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -908.196209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.196209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.196209 (E_RNA)
where:
Base-Base interactions energy: -628.932
where: short stacking energy: -275.782
Base-Backbone interact. energy: 0.024
local terms energy: -279.288081
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -52.610
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -33.204
tors. eta vs tors. theta energy: -77.174
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: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -790.499836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.499836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.499836 (E_RNA)
where:
Base-Base interactions energy: -535.585
where: short stacking energy: -231.726
Base-Backbone interact. energy: -2.843
local terms energy: -252.072322
where:
bonds (distance) C4'-P energy: -39.734
bonds (distance) P-C4' energy: -57.461
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -54.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -685.567894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.567894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.567894 (E_RNA)
where:
Base-Base interactions energy: -454.673
where: short stacking energy: -202.960
Base-Backbone interact. energy: 1.963
local terms energy: -232.857692
where:
bonds (distance) C4'-P energy: -57.070
bonds (distance) P-C4' energy: -60.731
flat angles C4'-P-C4' energy: -58.243
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -29.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -624.461301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.461301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.461301 (E_RNA)
where:
Base-Base interactions energy: -389.099
where: short stacking energy: -183.458
Base-Backbone interact. energy: 0.940
local terms energy: -236.302194
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -58.385
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -41.968
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: 74
Temperature: 1.300000
Total energy: -478.189427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.189427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.189427 (E_RNA)
where:
Base-Base interactions energy: -280.012
where: short stacking energy: -146.399
Base-Backbone interact. energy: 3.658
local terms energy: -201.836033
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -59.531
flat angles C4'-P-C4' energy: -46.398
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -347.950135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.950135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.950135 (E_RNA)
where:
Base-Base interactions energy: -168.801
where: short stacking energy: -94.520
Base-Backbone interact. energy: -1.970
local terms energy: -177.179224
where:
bonds (distance) C4'-P energy: -50.279
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -39.760
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1092.305425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.305425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.305425 (E_RNA)
where:
Base-Base interactions energy: -766.760
where: short stacking energy: -332.007
Base-Backbone interact. energy: -1.119
local terms energy: -324.426108
where:
bonds (distance) C4'-P energy: -59.191
bonds (distance) P-C4' energy: -60.901
flat angles C4'-P-C4' energy: -63.900
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -93.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1034.469265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.469265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.469265 (E_RNA)
where:
Base-Base interactions energy: -704.566
where: short stacking energy: -318.780
Base-Backbone interact. energy: -1.805
local terms energy: -328.098193
where:
bonds (distance) C4'-P energy: -54.841
bonds (distance) P-C4' energy: -60.817
flat angles C4'-P-C4' energy: -73.381
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: -91.516
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: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -997.901384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.901384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.901384 (E_RNA)
where:
Base-Base interactions energy: -716.875
where: short stacking energy: -294.323
Base-Backbone interact. energy: -2.576
local terms energy: -278.449740
where:
bonds (distance) C4'-P energy: -55.572
bonds (distance) P-C4' energy: -46.047
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -46.554
tors. eta vs tors. theta energy: -68.043
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: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -957.324828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.324828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.324828 (E_RNA)
where:
Base-Base interactions energy: -668.615
where: short stacking energy: -285.937
Base-Backbone interact. energy: -2.249
local terms energy: -286.461201
where:
bonds (distance) C4'-P energy: -56.401
bonds (distance) P-C4' energy: -49.445
flat angles C4'-P-C4' energy: -57.182
flat angles P-C4'-P energy: -43.994
tors. eta vs tors. theta energy: -79.439
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: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -952.598942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.598942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.598942 (E_RNA)
where:
Base-Base interactions energy: -686.562
where: short stacking energy: -255.712
Base-Backbone interact. energy: -1.833
local terms energy: -264.203973
where:
bonds (distance) C4'-P energy: -57.727
bonds (distance) P-C4' energy: -51.229
flat angles C4'-P-C4' energy: -53.151
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -82.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -810.877704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.877704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.877704 (E_RNA)
where:
Base-Base interactions energy: -548.004
where: short stacking energy: -230.944
Base-Backbone interact. energy: -1.321
local terms energy: -261.553476
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -64.395
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -57.006
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: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -715.496001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.496001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.496001 (E_RNA)
where:
Base-Base interactions energy: -461.654
where: short stacking energy: -224.147
Base-Backbone interact. energy: -1.525
local terms energy: -252.316956
where:
bonds (distance) C4'-P energy: -56.396
bonds (distance) P-C4' energy: -57.441
flat angles C4'-P-C4' energy: -50.364
flat angles P-C4'-P energy: -42.667
tors. eta vs tors. theta energy: -45.449
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: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -594.956283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.956283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.956283 (E_RNA)
where:
Base-Base interactions energy: -399.324
where: short stacking energy: -179.964
Base-Backbone interact. energy: -0.955
local terms energy: -194.677160
where:
bonds (distance) C4'-P energy: -34.698
bonds (distance) P-C4' energy: -43.942
flat angles C4'-P-C4' energy: -52.036
flat angles P-C4'-P energy: -33.109
tors. eta vs tors. theta energy: -30.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -499.884992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.884992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.884992 (E_RNA)
where:
Base-Base interactions energy: -289.977
where: short stacking energy: -141.008
Base-Backbone interact. energy: -1.816
local terms energy: -208.092106
where:
bonds (distance) C4'-P energy: -48.151
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -47.994
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -345.393646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.393646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.393646 (E_RNA)
where:
Base-Base interactions energy: -164.284
where: short stacking energy: -102.556
Base-Backbone interact. energy: -0.732
local terms energy: -180.377558
where:
bonds (distance) C4'-P energy: -41.485
bonds (distance) P-C4' energy: -58.165
flat angles C4'-P-C4' energy: -46.218
flat angles P-C4'-P energy: -26.874
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1095.197003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.197003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.197003 (E_RNA)
where:
Base-Base interactions energy: -775.340
where: short stacking energy: -336.282
Base-Backbone interact. energy: -1.093
local terms energy: -318.764625
where:
bonds (distance) C4'-P energy: -62.183
bonds (distance) P-C4' energy: -53.869
flat angles C4'-P-C4' energy: -70.221
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -91.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1041.651674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.651674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.651674 (E_RNA)
where:
Base-Base interactions energy: -716.316
where: short stacking energy: -318.337
Base-Backbone interact. energy: 1.147
local terms energy: -326.481980
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -64.933
flat angles C4'-P-C4' energy: -59.731
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -94.355
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: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -991.057174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.057174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.057174 (E_RNA)
where:
Base-Base interactions energy: -702.295
where: short stacking energy: -278.610
Base-Backbone interact. energy: -1.523
local terms energy: -287.239236
where:
bonds (distance) C4'-P energy: -58.342
bonds (distance) P-C4' energy: -62.921
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -74.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -993.269816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.269816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.269816 (E_RNA)
where:
Base-Base interactions energy: -679.808
where: short stacking energy: -305.071
Base-Backbone interact. energy: -1.122
local terms energy: -312.340359
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -65.485
flat angles C4'-P-C4' energy: -68.264
flat angles P-C4'-P energy: -46.287
tors. eta vs tors. theta energy: -83.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -994.856973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.856973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.856973 (E_RNA)
where:
Base-Base interactions energy: -715.034
where: short stacking energy: -285.309
Base-Backbone interact. energy: -1.726
local terms energy: -278.097043
where:
bonds (distance) C4'-P energy: -55.641
bonds (distance) P-C4' energy: -51.452
flat angles C4'-P-C4' energy: -55.470
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -83.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -806.540876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.540876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.540876 (E_RNA)
where:
Base-Base interactions energy: -536.241
where: short stacking energy: -238.476
Base-Backbone interact. energy: -0.703
local terms energy: -269.596507
where:
bonds (distance) C4'-P energy: -59.778
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -59.669
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -58.268
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: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -688.728323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.728323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.728323 (E_RNA)
where:
Base-Base interactions energy: -444.063
where: short stacking energy: -194.595
Base-Backbone interact. energy: -0.885
local terms energy: -243.780034
where:
bonds (distance) C4'-P energy: -58.880
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -66.783
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -30.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -610.321984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.321984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.321984 (E_RNA)
where:
Base-Base interactions energy: -377.089
where: short stacking energy: -162.026
Base-Backbone interact. energy: -1.177
local terms energy: -232.055795
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -53.856
flat angles C4'-P-C4' energy: -53.220
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -30.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -465.962758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.962758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.962758 (E_RNA)
where:
Base-Base interactions energy: -261.741
where: short stacking energy: -127.034
Base-Backbone interact. energy: -1.227
local terms energy: -202.993994
where:
bonds (distance) C4'-P energy: -46.926
bonds (distance) P-C4' energy: -56.809
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -17.083
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: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -353.761033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.761033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.761033 (E_RNA)
where:
Base-Base interactions energy: -163.360
where: short stacking energy: -101.631
Base-Backbone interact. energy: -0.689
local terms energy: -189.712117
where:
bonds (distance) C4'-P energy: -48.112
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -60.673
flat angles P-C4'-P energy: -28.862
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1096.797538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.797538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.797538 (E_RNA)
where:
Base-Base interactions energy: -756.618
where: short stacking energy: -331.459
Base-Backbone interact. energy: -0.928
local terms energy: -339.251607
where:
bonds (distance) C4'-P energy: -56.695
bonds (distance) P-C4' energy: -65.390
flat angles C4'-P-C4' energy: -68.812
flat angles P-C4'-P energy: -50.564
tors. eta vs tors. theta energy: -97.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1048.827373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.827373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.827373 (E_RNA)
where:
Base-Base interactions energy: -732.991
where: short stacking energy: -336.230
Base-Backbone interact. energy: -1.913
local terms energy: -313.922937
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -66.011
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: -90.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1002.104222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.104222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.104222 (E_RNA)
where:
Base-Base interactions energy: -708.398
where: short stacking energy: -291.738
Base-Backbone interact. energy: -2.476
local terms energy: -291.229980
where:
bonds (distance) C4'-P energy: -58.137
bonds (distance) P-C4' energy: -65.364
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -39.431
tors. eta vs tors. theta energy: -72.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1006.540417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.540417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.540417 (E_RNA)
where:
Base-Base interactions energy: -716.775
where: short stacking energy: -284.180
Base-Backbone interact. energy: -1.068
local terms energy: -288.697949
where:
bonds (distance) C4'-P energy: -50.964
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -61.692
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -80.729
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -978.202351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.202351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.202351 (E_RNA)
where:
Base-Base interactions energy: -673.784
where: short stacking energy: -289.757
Base-Backbone interact. energy: -1.797
local terms energy: -302.622013
where:
bonds (distance) C4'-P energy: -56.610
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -85.378
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: 77
Temperature: 1.150000
Total energy: -700.092406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.092406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.092406 (E_RNA)
where:
Base-Base interactions energy: -459.359
where: short stacking energy: -211.668
Base-Backbone interact. energy: 3.460
local terms energy: -244.193963
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -59.715
flat angles C4'-P-C4' energy: -69.196
flat angles P-C4'-P energy: -30.990
tors. eta vs tors. theta energy: -37.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -797.373756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.373756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.373756 (E_RNA)
where:
Base-Base interactions energy: -541.570
where: short stacking energy: -238.142
Base-Backbone interact. energy: 2.036
local terms energy: -257.838913
where:
bonds (distance) C4'-P energy: -59.652
bonds (distance) P-C4' energy: -50.644
flat angles C4'-P-C4' energy: -58.815
flat angles P-C4'-P energy: -33.179
tors. eta vs tors. theta energy: -55.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -563.991510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.991510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.991510 (E_RNA)
where:
Base-Base interactions energy: -355.982
where: short stacking energy: -164.678
Base-Backbone interact. energy: -1.821
local terms energy: -206.188574
where:
bonds (distance) C4'-P energy: -47.005
bonds (distance) P-C4' energy: -57.023
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -24.193
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: 77
Temperature: 1.300000
Total energy: -438.864695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.864695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.864695 (E_RNA)
where:
Base-Base interactions energy: -254.099
where: short stacking energy: -139.735
Base-Backbone interact. energy: -0.997
local terms energy: -183.769177
where:
bonds (distance) C4'-P energy: -44.236
bonds (distance) P-C4' energy: -45.566
flat angles C4'-P-C4' energy: -44.808
flat angles P-C4'-P energy: -31.133
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -351.517693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.517693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.517693 (E_RNA)
where:
Base-Base interactions energy: -166.882
where: short stacking energy: -101.526
Base-Backbone interact. energy: 3.737
local terms energy: -188.373158
where:
bonds (distance) C4'-P energy: -57.108
bonds (distance) P-C4' energy: -53.995
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1090.989311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.989311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.989311 (E_RNA)
where:
Base-Base interactions energy: -757.874
where: short stacking energy: -325.359
Base-Backbone interact. energy: -1.768
local terms energy: -331.347801
where:
bonds (distance) C4'-P energy: -55.818
bonds (distance) P-C4' energy: -71.747
flat angles C4'-P-C4' energy: -65.067
flat angles P-C4'-P energy: -40.379
tors. eta vs tors. theta energy: -98.337
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: 78
Temperature: 0.950000
Total energy: -1037.256403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.256403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.256403 (E_RNA)
where:
Base-Base interactions energy: -708.513
where: short stacking energy: -325.124
Base-Backbone interact. energy: -1.575
local terms energy: -327.169064
where:
bonds (distance) C4'-P energy: -61.361
bonds (distance) P-C4' energy: -56.254
flat angles C4'-P-C4' energy: -69.831
flat angles P-C4'-P energy: -47.739
tors. eta vs tors. theta energy: -91.984
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: 78
Temperature: 1.000000
Total energy: -1047.244580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.244580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.244580 (E_RNA)
where:
Base-Base interactions energy: -747.539
where: short stacking energy: -292.872
Base-Backbone interact. energy: -2.172
local terms energy: -297.533256
where:
bonds (distance) C4'-P energy: -53.620
bonds (distance) P-C4' energy: -58.697
flat angles C4'-P-C4' energy: -64.178
flat angles P-C4'-P energy: -33.290
tors. eta vs tors. theta energy: -87.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -972.559052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.559052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.559052 (E_RNA)
where:
Base-Base interactions energy: -693.309
where: short stacking energy: -283.679
Base-Backbone interact. energy: -1.858
local terms energy: -277.391315
where:
bonds (distance) C4'-P energy: -55.744
bonds (distance) P-C4' energy: -63.093
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -65.758
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -984.622063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.622063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.622063 (E_RNA)
where:
Base-Base interactions energy: -700.990
where: short stacking energy: -304.627
Base-Backbone interact. energy: -1.676
local terms energy: -281.956243
where:
bonds (distance) C4'-P energy: -46.558
bonds (distance) P-C4' energy: -52.964
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -78.152
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: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -705.296386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.296386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.296386 (E_RNA)
where:
Base-Base interactions energy: -451.024
where: short stacking energy: -217.484
Base-Backbone interact. energy: -0.502
local terms energy: -253.770279
where:
bonds (distance) C4'-P energy: -64.201
bonds (distance) P-C4' energy: -45.761
flat angles C4'-P-C4' energy: -54.397
flat angles P-C4'-P energy: -49.040
tors. eta vs tors. theta energy: -40.370
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: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -737.527180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.527180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.527180 (E_RNA)
where:
Base-Base interactions energy: -507.245
where: short stacking energy: -201.560
Base-Backbone interact. energy: -1.256
local terms energy: -229.026207
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -57.811
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -45.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -586.201699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.201699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.201699 (E_RNA)
where:
Base-Base interactions energy: -366.431
where: short stacking energy: -176.045
Base-Backbone interact. energy: -0.859
local terms energy: -218.911563
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -50.193
flat angles C4'-P-C4' energy: -47.840
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -39.604
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: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -465.574654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.574654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.574654 (E_RNA)
where:
Base-Base interactions energy: -272.295
where: short stacking energy: -147.405
Base-Backbone interact. energy: 0.069
local terms energy: -193.349428
where:
bonds (distance) C4'-P energy: -42.872
bonds (distance) P-C4' energy: -45.812
flat angles C4'-P-C4' energy: -49.544
flat angles P-C4'-P energy: -35.750
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -355.444074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.444074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.444074 (E_RNA)
where:
Base-Base interactions energy: -191.682
where: short stacking energy: -106.800
Base-Backbone interact. energy: -4.104
local terms energy: -159.658127
where:
bonds (distance) C4'-P energy: -47.440
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -39.956
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1109.646551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.646551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.646551 (E_RNA)
where:
Base-Base interactions energy: -787.602
where: short stacking energy: -353.062
Base-Backbone interact. energy: -1.431
local terms energy: -320.613039
where:
bonds (distance) C4'-P energy: -59.769
bonds (distance) P-C4' energy: -59.098
flat angles C4'-P-C4' energy: -73.743
flat angles P-C4'-P energy: -33.479
tors. eta vs tors. theta energy: -94.525
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1035.653716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.653716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.653716 (E_RNA)
where:
Base-Base interactions energy: -712.615
where: short stacking energy: -317.097
Base-Backbone interact. energy: -2.271
local terms energy: -320.768078
where:
bonds (distance) C4'-P energy: -49.961
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -64.575
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -97.974
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: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1036.394182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.394182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.394182 (E_RNA)
where:
Base-Base interactions energy: -726.365
where: short stacking energy: -282.470
Base-Backbone interact. energy: -3.492
local terms energy: -306.537522
where:
bonds (distance) C4'-P energy: -53.879
bonds (distance) P-C4' energy: -55.656
flat angles C4'-P-C4' energy: -64.125
flat angles P-C4'-P energy: -44.507
tors. eta vs tors. theta energy: -88.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -973.579515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.579515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.579515 (E_RNA)
where:
Base-Base interactions energy: -678.508
where: short stacking energy: -302.616
Base-Backbone interact. energy: 5.486
local terms energy: -300.557664
where:
bonds (distance) C4'-P energy: -44.984
bonds (distance) P-C4' energy: -63.346
flat angles C4'-P-C4' energy: -60.915
flat angles P-C4'-P energy: -43.695
tors. eta vs tors. theta energy: -87.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -984.848425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.848425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.848425 (E_RNA)
where:
Base-Base interactions energy: -704.575
where: short stacking energy: -300.293
Base-Backbone interact. energy: -2.023
local terms energy: -278.250693
where:
bonds (distance) C4'-P energy: -58.223
bonds (distance) P-C4' energy: -55.284
flat angles C4'-P-C4' energy: -60.568
flat angles P-C4'-P energy: -38.246
tors. eta vs tors. theta energy: -65.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -810.214975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.214975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.214975 (E_RNA)
where:
Base-Base interactions energy: -548.400
where: short stacking energy: -229.080
Base-Backbone interact. energy: -1.708
local terms energy: -260.106464
where:
bonds (distance) C4'-P energy: -61.845
bonds (distance) P-C4' energy: -61.347
flat angles C4'-P-C4' energy: -48.244
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -47.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -724.940593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.940593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.940593 (E_RNA)
where:
Base-Base interactions energy: -472.466
where: short stacking energy: -235.147
Base-Backbone interact. energy: -1.273
local terms energy: -251.201120
where:
bonds (distance) C4'-P energy: -51.353
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -56.368
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -52.822
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -612.326682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.326682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.326682 (E_RNA)
where:
Base-Base interactions energy: -388.294
where: short stacking energy: -176.210
Base-Backbone interact. energy: 0.759
local terms energy: -224.792046
where:
bonds (distance) C4'-P energy: -59.444
bonds (distance) P-C4' energy: -41.679
flat angles C4'-P-C4' energy: -55.798
flat angles P-C4'-P energy: -29.899
tors. eta vs tors. theta energy: -37.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -495.908370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.908370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.908370 (E_RNA)
where:
Base-Base interactions energy: -274.685
where: short stacking energy: -141.250
Base-Backbone interact. energy: -2.090
local terms energy: -219.132970
where:
bonds (distance) C4'-P energy: -58.619
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -52.408
flat angles P-C4'-P energy: -30.579
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -361.932401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.932401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.932401 (E_RNA)
where:
Base-Base interactions energy: -176.020
where: short stacking energy: -91.079
Base-Backbone interact. energy: -1.201
local terms energy: -184.711024
where:
bonds (distance) C4'-P energy: -43.104
bonds (distance) P-C4' energy: -58.396
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1096.789628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.789628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.789628 (E_RNA)
where:
Base-Base interactions energy: -764.837
where: short stacking energy: -320.665
Base-Backbone interact. energy: -1.211
local terms energy: -330.741091
where:
bonds (distance) C4'-P energy: -68.245
bonds (distance) P-C4' energy: -59.058
flat angles C4'-P-C4' energy: -67.259
flat angles P-C4'-P energy: -45.847
tors. eta vs tors. theta energy: -90.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1057.848992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.848992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.848992 (E_RNA)
where:
Base-Base interactions energy: -736.319
where: short stacking energy: -331.074
Base-Backbone interact. energy: -0.810
local terms energy: -320.719649
where:
bonds (distance) C4'-P energy: -58.844
bonds (distance) P-C4' energy: -63.617
flat angles C4'-P-C4' energy: -67.317
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -97.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1040.593099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.593099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.593099 (E_RNA)
where:
Base-Base interactions energy: -746.939
where: short stacking energy: -295.571
Base-Backbone interact. energy: -2.356
local terms energy: -291.297443
where:
bonds (distance) C4'-P energy: -48.441
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -53.855
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: -84.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -984.668353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.668353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.668353 (E_RNA)
where:
Base-Base interactions energy: -697.686
where: short stacking energy: -300.021
Base-Backbone interact. energy: 0.161
local terms energy: -287.142847
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -57.922
flat angles C4'-P-C4' energy: -61.071
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -75.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -944.952405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.952405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.952405 (E_RNA)
where:
Base-Base interactions energy: -664.275
where: short stacking energy: -259.690
Base-Backbone interact. energy: -1.238
local terms energy: -279.439453
where:
bonds (distance) C4'-P energy: -62.297
bonds (distance) P-C4' energy: -65.056
flat angles C4'-P-C4' energy: -47.266
flat angles P-C4'-P energy: -43.362
tors. eta vs tors. theta energy: -61.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -797.108531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.108531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.108531 (E_RNA)
where:
Base-Base interactions energy: -532.593
where: short stacking energy: -238.845
Base-Backbone interact. energy: -0.094
local terms energy: -264.421541
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -53.705
flat angles C4'-P-C4' energy: -52.638
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -61.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -712.294281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.294281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.294281 (E_RNA)
where:
Base-Base interactions energy: -456.131
where: short stacking energy: -201.765
Base-Backbone interact. energy: 2.564
local terms energy: -258.727048
where:
bonds (distance) C4'-P energy: -60.211
bonds (distance) P-C4' energy: -58.492
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -31.344
tors. eta vs tors. theta energy: -53.728
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: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -638.279298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.279298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.279298 (E_RNA)
where:
Base-Base interactions energy: -401.700
where: short stacking energy: -192.241
Base-Backbone interact. energy: -2.701
local terms energy: -233.878274
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -54.200
flat angles C4'-P-C4' energy: -55.438
flat angles P-C4'-P energy: -35.875
tors. eta vs tors. theta energy: -43.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -561.272942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.272942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.272942 (E_RNA)
where:
Base-Base interactions energy: -355.283
where: short stacking energy: -169.678
Base-Backbone interact. energy: -0.280
local terms energy: -205.710095
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -344.190269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.190269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.190269 (E_RNA)
where:
Base-Base interactions energy: -150.742
where: short stacking energy: -85.060
Base-Backbone interact. energy: -0.225
local terms energy: -193.222658
where:
bonds (distance) C4'-P energy: -55.776
bonds (distance) P-C4' energy: -45.110
flat angles C4'-P-C4' energy: -47.748
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -3.782
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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1106.957040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.957040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.957040 (E_RNA)
where:
Base-Base interactions energy: -793.775
where: short stacking energy: -344.083
Base-Backbone interact. energy: -1.143
local terms energy: -312.038924
where:
bonds (distance) C4'-P energy: -56.128
bonds (distance) P-C4' energy: -59.146
flat angles C4'-P-C4' energy: -65.410
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -93.596
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: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1043.655125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.655125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.655125 (E_RNA)
where:
Base-Base interactions energy: -710.367
where: short stacking energy: -316.417
Base-Backbone interact. energy: -0.447
local terms energy: -332.840473
where:
bonds (distance) C4'-P energy: -56.776
bonds (distance) P-C4' energy: -60.313
flat angles C4'-P-C4' energy: -75.155
flat angles P-C4'-P energy: -47.159
tors. eta vs tors. theta energy: -93.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1021.939765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.939765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.939765 (E_RNA)
where:
Base-Base interactions energy: -716.294
where: short stacking energy: -285.168
Base-Backbone interact. energy: -2.725
local terms energy: -302.920623
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -56.583
flat angles C4'-P-C4' energy: -62.090
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: -84.854
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -956.982674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.982674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.982674 (E_RNA)
where:
Base-Base interactions energy: -671.609
where: short stacking energy: -293.910
Base-Backbone interact. energy: -0.928
local terms energy: -284.445088
where:
bonds (distance) C4'-P energy: -51.559
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -72.467
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: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -912.739511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.739511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.739511 (E_RNA)
where:
Base-Base interactions energy: -617.647
where: short stacking energy: -269.268
Base-Backbone interact. energy: 1.123
local terms energy: -296.215512
where:
bonds (distance) C4'-P energy: -49.469
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -68.066
flat angles P-C4'-P energy: -48.671
tors. eta vs tors. theta energy: -66.746
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: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -794.704344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.704344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.704344 (E_RNA)
where:
Base-Base interactions energy: -540.237
where: short stacking energy: -234.784
Base-Backbone interact. energy: -0.021
local terms energy: -254.446241
where:
bonds (distance) C4'-P energy: -52.705
bonds (distance) P-C4' energy: -53.288
flat angles C4'-P-C4' energy: -58.169
flat angles P-C4'-P energy: -41.235
tors. eta vs tors. theta energy: -49.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -731.166265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.166265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.166265 (E_RNA)
where:
Base-Base interactions energy: -471.594
where: short stacking energy: -211.650
Base-Backbone interact. energy: 0.059
local terms energy: -259.631182
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -56.980
flat angles C4'-P-C4' energy: -53.674
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -51.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -620.522496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.522496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.522496 (E_RNA)
where:
Base-Base interactions energy: -380.558
where: short stacking energy: -175.500
Base-Backbone interact. energy: -2.142
local terms energy: -237.823044
where:
bonds (distance) C4'-P energy: -56.815
bonds (distance) P-C4' energy: -56.444
flat angles C4'-P-C4' energy: -55.449
flat angles P-C4'-P energy: -33.163
tors. eta vs tors. theta energy: -35.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -586.994181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.994181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.994181 (E_RNA)
where:
Base-Base interactions energy: -365.216
where: short stacking energy: -169.938
Base-Backbone interact. energy: -1.253
local terms energy: -220.525519
where:
bonds (distance) C4'-P energy: -45.708
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -47.069
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -36.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -371.922737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.922737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.922737 (E_RNA)
where:
Base-Base interactions energy: -171.695
where: short stacking energy: -107.433
Base-Backbone interact. energy: -0.645
local terms energy: -199.583044
where:
bonds (distance) C4'-P energy: -48.522
bonds (distance) P-C4' energy: -42.463
flat angles C4'-P-C4' energy: -56.107
flat angles P-C4'-P energy: -36.573
tors. eta vs tors. theta energy: -15.918
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: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1109.405023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.405023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.405023 (E_RNA)
where:
Base-Base interactions energy: -781.128
where: short stacking energy: -343.615
Base-Backbone interact. energy: -1.967
local terms energy: -326.309539
where:
bonds (distance) C4'-P energy: -58.582
bonds (distance) P-C4' energy: -67.457
flat angles C4'-P-C4' energy: -66.101
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -97.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1053.420125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.420125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.420125 (E_RNA)
where:
Base-Base interactions energy: -716.710
where: short stacking energy: -325.363
Base-Backbone interact. energy: -2.604
local terms energy: -334.106325
where:
bonds (distance) C4'-P energy: -60.978
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -74.827
flat angles P-C4'-P energy: -51.364
tors. eta vs tors. theta energy: -90.614
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: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1037.785380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.785380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.785380 (E_RNA)
where:
Base-Base interactions energy: -741.491
where: short stacking energy: -281.995
Base-Backbone interact. energy: -1.675
local terms energy: -294.618668
where:
bonds (distance) C4'-P energy: -57.061
bonds (distance) P-C4' energy: -54.350
flat angles C4'-P-C4' energy: -70.360
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -80.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1001.733250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.733250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.733250 (E_RNA)
where:
Base-Base interactions energy: -690.696
where: short stacking energy: -311.679
Base-Backbone interact. energy: -0.470
local terms energy: -310.566752
where:
bonds (distance) C4'-P energy: -60.284
bonds (distance) P-C4' energy: -63.487
flat angles C4'-P-C4' energy: -63.509
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -85.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -916.514527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.514527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.514527 (E_RNA)
where:
Base-Base interactions energy: -632.182
where: short stacking energy: -286.603
Base-Backbone interact. energy: -1.060
local terms energy: -283.272381
where:
bonds (distance) C4'-P energy: -59.484
bonds (distance) P-C4' energy: -61.922
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -74.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -780.951961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.951961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.951961 (E_RNA)
where:
Base-Base interactions energy: -529.879
where: short stacking energy: -228.613
Base-Backbone interact. energy: -1.677
local terms energy: -249.396448
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -50.492
flat angles C4'-P-C4' energy: -59.292
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -56.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -714.189751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.189751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.189751 (E_RNA)
where:
Base-Base interactions energy: -450.047
where: short stacking energy: -216.346
Base-Backbone interact. energy: -2.557
local terms energy: -261.585609
where:
bonds (distance) C4'-P energy: -52.391
bonds (distance) P-C4' energy: -56.384
flat angles C4'-P-C4' energy: -58.687
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -57.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -653.327425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.327425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.327425 (E_RNA)
where:
Base-Base interactions energy: -422.561
where: short stacking energy: -208.357
Base-Backbone interact. energy: -1.334
local terms energy: -229.431764
where:
bonds (distance) C4'-P energy: -50.136
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -46.692
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -600.455299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.455299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.455299 (E_RNA)
where:
Base-Base interactions energy: -362.848
where: short stacking energy: -159.499
Base-Backbone interact. energy: 0.269
local terms energy: -237.875723
where:
bonds (distance) C4'-P energy: -49.815
bonds (distance) P-C4' energy: -63.091
flat angles C4'-P-C4' energy: -53.597
flat angles P-C4'-P energy: -28.306
tors. eta vs tors. theta energy: -43.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -346.057698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.057698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.057698 (E_RNA)
where:
Base-Base interactions energy: -167.550
where: short stacking energy: -104.416
Base-Backbone interact. energy: -1.373
local terms energy: -177.134293
where:
bonds (distance) C4'-P energy: -38.644
bonds (distance) P-C4' energy: -58.621
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -37.980
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1084.990607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.990607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.990607 (E_RNA)
where:
Base-Base interactions energy: -761.890
where: short stacking energy: -326.187
Base-Backbone interact. energy: 0.655
local terms energy: -323.755601
where:
bonds (distance) C4'-P energy: -61.803
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -73.454
flat angles P-C4'-P energy: -40.601
tors. eta vs tors. theta energy: -91.682
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: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1054.919735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.919735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.919735 (E_RNA)
where:
Base-Base interactions energy: -744.431
where: short stacking energy: -283.124
Base-Backbone interact. energy: -0.156
local terms energy: -310.333124
where:
bonds (distance) C4'-P energy: -63.716
bonds (distance) P-C4' energy: -60.027
flat angles C4'-P-C4' energy: -68.591
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -77.575
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: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1045.107898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.107898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.107898 (E_RNA)
where:
Base-Base interactions energy: -717.828
where: short stacking energy: -334.008
Base-Backbone interact. energy: 0.068
local terms energy: -327.347548
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -57.973
flat angles C4'-P-C4' energy: -67.801
flat angles P-C4'-P energy: -48.940
tors. eta vs tors. theta energy: -98.871
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: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -987.751498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.751498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.751498 (E_RNA)
where:
Base-Base interactions energy: -686.994
where: short stacking energy: -297.621
Base-Backbone interact. energy: -1.944
local terms energy: -298.813946
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -60.806
flat angles C4'-P-C4' energy: -64.093
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -82.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -945.134628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.134628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.134628 (E_RNA)
where:
Base-Base interactions energy: -667.841
where: short stacking energy: -296.424
Base-Backbone interact. energy: -1.756
local terms energy: -275.537290
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -55.366
flat angles C4'-P-C4' energy: -62.263
flat angles P-C4'-P energy: -30.727
tors. eta vs tors. theta energy: -72.017
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: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -781.596012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.596012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.596012 (E_RNA)
where:
Base-Base interactions energy: -515.152
where: short stacking energy: -233.890
Base-Backbone interact. energy: 0.958
local terms energy: -267.401329
where:
bonds (distance) C4'-P energy: -54.241
bonds (distance) P-C4' energy: -49.610
flat angles C4'-P-C4' energy: -66.632
flat angles P-C4'-P energy: -41.490
tors. eta vs tors. theta energy: -55.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -710.698043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.698043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.698043 (E_RNA)
where:
Base-Base interactions energy: -455.661
where: short stacking energy: -235.154
Base-Backbone interact. energy: -2.679
local terms energy: -252.358392
where:
bonds (distance) C4'-P energy: -51.669
bonds (distance) P-C4' energy: -52.005
flat angles C4'-P-C4' energy: -58.432
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -54.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -645.904576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.904576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.904576 (E_RNA)
where:
Base-Base interactions energy: -408.998
where: short stacking energy: -199.640
Base-Backbone interact. energy: -2.149
local terms energy: -234.758166
where:
bonds (distance) C4'-P energy: -54.848
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -51.162
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -55.177
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: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -551.899260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.899260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.899260 (E_RNA)
where:
Base-Base interactions energy: -352.383
where: short stacking energy: -166.020
Base-Backbone interact. energy: 3.078
local terms energy: -202.593837
where:
bonds (distance) C4'-P energy: -51.012
bonds (distance) P-C4' energy: -54.698
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -20.789
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: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -363.093200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.093200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.093200 (E_RNA)
where:
Base-Base interactions energy: -182.530
where: short stacking energy: -109.942
Base-Backbone interact. energy: 1.846
local terms energy: -182.409750
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -58.265
flat angles C4'-P-C4' energy: -51.510
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: 0.525
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: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1068.025159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.025159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.025159 (E_RNA)
where:
Base-Base interactions energy: -763.574
where: short stacking energy: -296.730
Base-Backbone interact. energy: 0.157
local terms energy: -304.608615
where:
bonds (distance) C4'-P energy: -61.953
bonds (distance) P-C4' energy: -58.512
flat angles C4'-P-C4' energy: -61.725
flat angles P-C4'-P energy: -38.788
tors. eta vs tors. theta energy: -83.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1075.040961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.040961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.040961 (E_RNA)
where:
Base-Base interactions energy: -754.422
where: short stacking energy: -316.977
Base-Backbone interact. energy: -2.618
local terms energy: -318.000903
where:
bonds (distance) C4'-P energy: -60.688
bonds (distance) P-C4' energy: -56.522
flat angles C4'-P-C4' energy: -64.456
flat angles P-C4'-P energy: -47.993
tors. eta vs tors. theta energy: -88.342
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: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1028.111372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.111372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.111372 (E_RNA)
where:
Base-Base interactions energy: -716.057
where: short stacking energy: -315.269
Base-Backbone interact. energy: -1.336
local terms energy: -310.718770
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -52.882
flat angles C4'-P-C4' energy: -64.912
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: -86.722
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: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1003.327360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.327360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.327360 (E_RNA)
where:
Base-Base interactions energy: -709.980
where: short stacking energy: -286.540
Base-Backbone interact. energy: -1.408
local terms energy: -291.939961
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -56.536
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -43.208
tors. eta vs tors. theta energy: -81.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -936.719414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.719414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.719414 (E_RNA)
where:
Base-Base interactions energy: -650.957
where: short stacking energy: -294.306
Base-Backbone interact. energy: -1.980
local terms energy: -283.782069
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -52.436
flat angles C4'-P-C4' energy: -66.956
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -74.941
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: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -772.024444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.024444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.024444 (E_RNA)
where:
Base-Base interactions energy: -505.816
where: short stacking energy: -225.889
Base-Backbone interact. energy: -2.527
local terms energy: -263.681743
where:
bonds (distance) C4'-P energy: -58.751
bonds (distance) P-C4' energy: -56.324
flat angles C4'-P-C4' energy: -56.365
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -60.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -690.890048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.890048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.890048 (E_RNA)
where:
Base-Base interactions energy: -452.043
where: short stacking energy: -215.111
Base-Backbone interact. energy: -0.661
local terms energy: -238.186252
where:
bonds (distance) C4'-P energy: -50.942
bonds (distance) P-C4' energy: -41.133
flat angles C4'-P-C4' energy: -56.116
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -621.016868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.016868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.016868 (E_RNA)
where:
Base-Base interactions energy: -393.208
where: short stacking energy: -184.882
Base-Backbone interact. energy: 0.886
local terms energy: -228.694356
where:
bonds (distance) C4'-P energy: -54.781
bonds (distance) P-C4' energy: -47.993
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -40.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -579.917532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.917532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.917532 (E_RNA)
where:
Base-Base interactions energy: -381.266
where: short stacking energy: -183.671
Base-Backbone interact. energy: -0.702
local terms energy: -197.949399
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -51.866
flat angles P-C4'-P energy: -35.459
tors. eta vs tors. theta energy: -25.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -358.344608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.344608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.344608 (E_RNA)
where:
Base-Base interactions energy: -194.023
where: short stacking energy: -109.741
Base-Backbone interact. energy: 4.878
local terms energy: -169.200195
where:
bonds (distance) C4'-P energy: -46.439
bonds (distance) P-C4' energy: -50.859
flat angles C4'-P-C4' energy: -39.811
flat angles P-C4'-P energy: -28.272
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1067.559293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.559293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.559293 (E_RNA)
where:
Base-Base interactions energy: -751.664
where: short stacking energy: -301.807
Base-Backbone interact. energy: -0.150
local terms energy: -315.745222
where:
bonds (distance) C4'-P energy: -52.557
bonds (distance) P-C4' energy: -66.216
flat angles C4'-P-C4' energy: -66.144
flat angles P-C4'-P energy: -43.113
tors. eta vs tors. theta energy: -87.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1072.588462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.588462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.588462 (E_RNA)
where:
Base-Base interactions energy: -748.095
where: short stacking energy: -328.204
Base-Backbone interact. energy: 0.238
local terms energy: -324.731384
where:
bonds (distance) C4'-P energy: -60.514
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -73.619
flat angles P-C4'-P energy: -37.213
tors. eta vs tors. theta energy: -91.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1019.088456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.088456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.088456 (E_RNA)
where:
Base-Base interactions energy: -709.156
where: short stacking energy: -312.140
Base-Backbone interact. energy: -1.195
local terms energy: -308.736814
where:
bonds (distance) C4'-P energy: -57.554
bonds (distance) P-C4' energy: -58.366
flat angles C4'-P-C4' energy: -67.572
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: -86.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -994.533626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.533626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.533626 (E_RNA)
where:
Base-Base interactions energy: -685.472
where: short stacking energy: -304.158
Base-Backbone interact. energy: 0.508
local terms energy: -309.569585
where:
bonds (distance) C4'-P energy: -64.303
bonds (distance) P-C4' energy: -63.345
flat angles C4'-P-C4' energy: -60.671
flat angles P-C4'-P energy: -40.022
tors. eta vs tors. theta energy: -81.229
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: 85
Temperature: 1.100000
Total energy: -906.651410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.651410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.651410 (E_RNA)
where:
Base-Base interactions energy: -623.935
where: short stacking energy: -250.740
Base-Backbone interact. energy: 2.645
local terms energy: -285.361432
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -64.622
flat angles C4'-P-C4' energy: -57.834
flat angles P-C4'-P energy: -45.204
tors. eta vs tors. theta energy: -65.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -813.458272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.458272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.458272 (E_RNA)
where:
Base-Base interactions energy: -551.662
where: short stacking energy: -216.612
Base-Backbone interact. energy: -1.909
local terms energy: -259.887024
where:
bonds (distance) C4'-P energy: -58.871
bonds (distance) P-C4' energy: -57.453
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -35.282
tors. eta vs tors. theta energy: -50.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -706.525034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.525034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.525034 (E_RNA)
where:
Base-Base interactions energy: -480.325
where: short stacking energy: -212.892
Base-Backbone interact. energy: 1.809
local terms energy: -228.009703
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -48.552
flat angles C4'-P-C4' energy: -46.711
flat angles P-C4'-P energy: -40.099
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: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -639.239978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.239978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.239978 (E_RNA)
where:
Base-Base interactions energy: -405.656
where: short stacking energy: -196.762
Base-Backbone interact. energy: -0.893
local terms energy: -232.691290
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -56.989
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -39.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -567.507099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.507099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.507099 (E_RNA)
where:
Base-Base interactions energy: -365.482
where: short stacking energy: -182.029
Base-Backbone interact. energy: -2.630
local terms energy: -199.395494
where:
bonds (distance) C4'-P energy: -51.987
bonds (distance) P-C4' energy: -55.391
flat angles C4'-P-C4' energy: -43.854
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -350.349228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.349228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.349228 (E_RNA)
where:
Base-Base interactions energy: -184.319
where: short stacking energy: -107.334
Base-Backbone interact. energy: -0.951
local terms energy: -165.079198
where:
bonds (distance) C4'-P energy: -49.634
bonds (distance) P-C4' energy: -47.256
flat angles C4'-P-C4' energy: -47.655
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1069.178846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.178846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.178846 (E_RNA)
where:
Base-Base interactions energy: -759.953
where: short stacking energy: -302.200
Base-Backbone interact. energy: -1.513
local terms energy: -307.712175
where:
bonds (distance) C4'-P energy: -54.934
bonds (distance) P-C4' energy: -56.271
flat angles C4'-P-C4' energy: -64.591
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -89.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1066.699495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.699495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.699495 (E_RNA)
where:
Base-Base interactions energy: -744.038
where: short stacking energy: -320.635
Base-Backbone interact. energy: -2.078
local terms energy: -320.583603
where:
bonds (distance) C4'-P energy: -62.325
bonds (distance) P-C4' energy: -54.201
flat angles C4'-P-C4' energy: -67.810
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -83.306
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: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1034.358336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.358336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.358336 (E_RNA)
where:
Base-Base interactions energy: -717.348
where: short stacking energy: -322.038
Base-Backbone interact. energy: -0.370
local terms energy: -316.639741
where:
bonds (distance) C4'-P energy: -56.096
bonds (distance) P-C4' energy: -57.276
flat angles C4'-P-C4' energy: -66.698
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -91.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -983.473538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.473538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.473538 (E_RNA)
where:
Base-Base interactions energy: -689.616
where: short stacking energy: -287.984
Base-Backbone interact. energy: -0.926
local terms energy: -292.932064
where:
bonds (distance) C4'-P energy: -46.471
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -64.092
flat angles P-C4'-P energy: -38.623
tors. eta vs tors. theta energy: -84.914
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: 86
Temperature: 1.100000
Total energy: -926.213879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.213879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.213879 (E_RNA)
where:
Base-Base interactions energy: -644.434
where: short stacking energy: -261.257
Base-Backbone interact. energy: -1.671
local terms energy: -280.108896
where:
bonds (distance) C4'-P energy: -55.722
bonds (distance) P-C4' energy: -59.862
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -37.926
tors. eta vs tors. theta energy: -67.581
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: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -830.074357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.074357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.074357 (E_RNA)
where:
Base-Base interactions energy: -583.535
where: short stacking energy: -223.562
Base-Backbone interact. energy: -0.853
local terms energy: -245.685742
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -68.367
flat angles C4'-P-C4' energy: -53.940
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -55.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -709.861834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.861834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.861834 (E_RNA)
where:
Base-Base interactions energy: -456.947
where: short stacking energy: -229.736
Base-Backbone interact. energy: 2.763
local terms energy: -255.677545
where:
bonds (distance) C4'-P energy: -54.531
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -54.852
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -54.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -620.238173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.238173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.238173 (E_RNA)
where:
Base-Base interactions energy: -386.759
where: short stacking energy: -191.772
Base-Backbone interact. energy: 2.720
local terms energy: -236.199879
where:
bonds (distance) C4'-P energy: -52.864
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -59.376
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -42.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -592.754696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.754696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.754696 (E_RNA)
where:
Base-Base interactions energy: -358.382
where: short stacking energy: -171.924
Base-Backbone interact. energy: -0.960
local terms energy: -233.412451
where:
bonds (distance) C4'-P energy: -58.674
bonds (distance) P-C4' energy: -45.331
flat angles C4'-P-C4' energy: -58.306
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -32.148
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: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -371.485150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.485150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.485150 (E_RNA)
where:
Base-Base interactions energy: -179.203
where: short stacking energy: -113.520
Base-Backbone interact. energy: -1.072
local terms energy: -191.209666
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -52.770
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1080.088092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.088092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.088092 (E_RNA)
where:
Base-Base interactions energy: -762.236
where: short stacking energy: -298.847
Base-Backbone interact. energy: -1.595
local terms energy: -316.257533
where:
bonds (distance) C4'-P energy: -59.290
bonds (distance) P-C4' energy: -61.291
flat angles C4'-P-C4' energy: -68.251
flat angles P-C4'-P energy: -44.495
tors. eta vs tors. theta energy: -82.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1068.766931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.766931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.766931 (E_RNA)
where:
Base-Base interactions energy: -737.953
where: short stacking energy: -316.849
Base-Backbone interact. energy: -1.776
local terms energy: -329.037875
where:
bonds (distance) C4'-P energy: -60.204
bonds (distance) P-C4' energy: -58.343
flat angles C4'-P-C4' energy: -77.019
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -85.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1037.033493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.033493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.033493 (E_RNA)
where:
Base-Base interactions energy: -714.342
where: short stacking energy: -323.367
Base-Backbone interact. energy: -1.141
local terms energy: -321.550761
where:
bonds (distance) C4'-P energy: -53.860
bonds (distance) P-C4' energy: -62.921
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -42.710
tors. eta vs tors. theta energy: -94.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -980.101954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.101954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.101954 (E_RNA)
where:
Base-Base interactions energy: -690.432
where: short stacking energy: -307.610
Base-Backbone interact. energy: -1.651
local terms energy: -288.018698
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -55.465
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -81.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -958.799152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.799152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.799152 (E_RNA)
where:
Base-Base interactions energy: -685.063
where: short stacking energy: -290.391
Base-Backbone interact. energy: -2.142
local terms energy: -271.593508
where:
bonds (distance) C4'-P energy: -49.784
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -56.116
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -63.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -785.607669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.607669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.607669 (E_RNA)
where:
Base-Base interactions energy: -546.531
where: short stacking energy: -231.954
Base-Backbone interact. energy: -1.588
local terms energy: -237.488788
where:
bonds (distance) C4'-P energy: -48.654
bonds (distance) P-C4' energy: -41.958
flat angles C4'-P-C4' energy: -50.602
flat angles P-C4'-P energy: -33.698
tors. eta vs tors. theta energy: -62.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -759.359827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.359827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.359827 (E_RNA)
where:
Base-Base interactions energy: -492.086
where: short stacking energy: -239.343
Base-Backbone interact. energy: -0.592
local terms energy: -266.682506
where:
bonds (distance) C4'-P energy: -64.863
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -36.444
tors. eta vs tors. theta energy: -61.466
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: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -633.707901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.707901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.707901 (E_RNA)
where:
Base-Base interactions energy: -391.279
where: short stacking energy: -186.423
Base-Backbone interact. energy: 0.507
local terms energy: -242.935575
where:
bonds (distance) C4'-P energy: -44.841
bonds (distance) P-C4' energy: -55.473
flat angles C4'-P-C4' energy: -58.552
flat angles P-C4'-P energy: -38.307
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -591.201526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.201526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.201526 (E_RNA)
where:
Base-Base interactions energy: -366.763
where: short stacking energy: -172.168
Base-Backbone interact. energy: -0.487
local terms energy: -223.951779
where:
bonds (distance) C4'-P energy: -51.203
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -47.762
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -41.159
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: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -361.944130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.944130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.944130 (E_RNA)
where:
Base-Base interactions energy: -181.279
where: short stacking energy: -115.367
Base-Backbone interact. energy: 0.905
local terms energy: -181.569946
where:
bonds (distance) C4'-P energy: -50.686
bonds (distance) P-C4' energy: -53.291
flat angles C4'-P-C4' energy: -48.511
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1063.482488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.482488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.482488 (E_RNA)
where:
Base-Base interactions energy: -754.085
where: short stacking energy: -292.798
Base-Backbone interact. energy: -0.776
local terms energy: -308.621575
where:
bonds (distance) C4'-P energy: -60.131
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -64.392
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: -88.545
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: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1046.874580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.874580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.874580 (E_RNA)
where:
Base-Base interactions energy: -729.593
where: short stacking energy: -319.971
Base-Backbone interact. energy: -1.513
local terms energy: -315.768455
where:
bonds (distance) C4'-P energy: -66.424
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -84.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1044.002752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.002752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.002752 (E_RNA)
where:
Base-Base interactions energy: -722.440
where: short stacking energy: -324.837
Base-Backbone interact. energy: 0.334
local terms energy: -321.897587
where:
bonds (distance) C4'-P energy: -64.913
bonds (distance) P-C4' energy: -52.475
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -93.595
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: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -997.388582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.388582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.388582 (E_RNA)
where:
Base-Base interactions energy: -694.341
where: short stacking energy: -305.708
Base-Backbone interact. energy: -1.689
local terms energy: -301.359167
where:
bonds (distance) C4'-P energy: -59.118
bonds (distance) P-C4' energy: -52.648
flat angles C4'-P-C4' energy: -68.683
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: -77.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -938.587944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.587944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.587944 (E_RNA)
where:
Base-Base interactions energy: -661.622
where: short stacking energy: -278.327
Base-Backbone interact. energy: -1.544
local terms energy: -275.422160
where:
bonds (distance) C4'-P energy: -45.674
bonds (distance) P-C4' energy: -58.916
flat angles C4'-P-C4' energy: -65.508
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -68.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -812.567375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.567375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.567375 (E_RNA)
where:
Base-Base interactions energy: -549.407
where: short stacking energy: -242.667
Base-Backbone interact. energy: -1.592
local terms energy: -261.568852
where:
bonds (distance) C4'-P energy: -55.478
bonds (distance) P-C4' energy: -53.327
flat angles C4'-P-C4' energy: -56.431
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -58.694
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: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -764.464469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.464469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.464469 (E_RNA)
where:
Base-Base interactions energy: -510.688
where: short stacking energy: -255.998
Base-Backbone interact. energy: 3.376
local terms energy: -257.153352
where:
bonds (distance) C4'-P energy: -43.296
bonds (distance) P-C4' energy: -44.928
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: -69.488
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: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -648.944323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.944323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.944323 (E_RNA)
where:
Base-Base interactions energy: -416.314
where: short stacking energy: -200.478
Base-Backbone interact. energy: -0.816
local terms energy: -231.814275
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -53.218
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -39.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -578.659127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.659127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.659127 (E_RNA)
where:
Base-Base interactions energy: -364.848
where: short stacking energy: -175.304
Base-Backbone interact. energy: 0.945
local terms energy: -214.755885
where:
bonds (distance) C4'-P energy: -55.161
bonds (distance) P-C4' energy: -47.386
flat angles C4'-P-C4' energy: -39.234
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: -31.990
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: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -387.869424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.869424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.869424 (E_RNA)
where:
Base-Base interactions energy: -211.875
where: short stacking energy: -134.073
Base-Backbone interact. energy: -1.144
local terms energy: -174.849885
where:
bonds (distance) C4'-P energy: -45.690
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -16.633
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: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1055.278800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.278800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.278800 (E_RNA)
where:
Base-Base interactions energy: -743.030
where: short stacking energy: -289.120
Base-Backbone interact. energy: -1.095
local terms energy: -311.154148
where:
bonds (distance) C4'-P energy: -61.862
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -56.987
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -86.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1058.609660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.609660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.609660 (E_RNA)
where:
Base-Base interactions energy: -734.111
where: short stacking energy: -312.764
Base-Backbone interact. energy: -1.941
local terms energy: -322.558100
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -62.739
flat angles C4'-P-C4' energy: -67.079
flat angles P-C4'-P energy: -42.863
tors. eta vs tors. theta energy: -88.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1039.883652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.883652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.883652 (E_RNA)
where:
Base-Base interactions energy: -708.861
where: short stacking energy: -335.193
Base-Backbone interact. energy: -1.606
local terms energy: -329.416582
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -58.299
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -97.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1004.019439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.019439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.019439 (E_RNA)
where:
Base-Base interactions energy: -694.704
where: short stacking energy: -302.542
Base-Backbone interact. energy: -1.351
local terms energy: -307.964195
where:
bonds (distance) C4'-P energy: -57.070
bonds (distance) P-C4' energy: -65.358
flat angles C4'-P-C4' energy: -64.490
flat angles P-C4'-P energy: -39.617
tors. eta vs tors. theta energy: -81.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -929.332494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.332494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.332494 (E_RNA)
where:
Base-Base interactions energy: -648.473
where: short stacking energy: -257.139
Base-Backbone interact. energy: -1.901
local terms energy: -278.957523
where:
bonds (distance) C4'-P energy: -60.305
bonds (distance) P-C4' energy: -55.693
flat angles C4'-P-C4' energy: -50.699
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: -70.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -811.058942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.058942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.058942 (E_RNA)
where:
Base-Base interactions energy: -542.261
where: short stacking energy: -233.227
Base-Backbone interact. energy: -0.797
local terms energy: -268.000135
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -58.987
flat angles C4'-P-C4' energy: -51.821
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -62.623
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: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -746.924547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.924547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.924547 (E_RNA)
where:
Base-Base interactions energy: -491.479
where: short stacking energy: -237.044
Base-Backbone interact. energy: -1.189
local terms energy: -254.256291
where:
bonds (distance) C4'-P energy: -37.417
bonds (distance) P-C4' energy: -50.567
flat angles C4'-P-C4' energy: -66.641
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -61.694
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: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -669.716131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.716131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.716131 (E_RNA)
where:
Base-Base interactions energy: -426.759
where: short stacking energy: -204.690
Base-Backbone interact. energy: -0.418
local terms energy: -242.539269
where:
bonds (distance) C4'-P energy: -48.410
bonds (distance) P-C4' energy: -53.960
flat angles C4'-P-C4' energy: -54.166
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -47.183
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: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -599.474351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.474351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.474351 (E_RNA)
where:
Base-Base interactions energy: -377.483
where: short stacking energy: -169.347
Base-Backbone interact. energy: -1.270
local terms energy: -220.721678
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -55.909
flat angles C4'-P-C4' energy: -38.838
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -33.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -350.630398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.630398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.630398 (E_RNA)
where:
Base-Base interactions energy: -179.651
where: short stacking energy: -106.879
Base-Backbone interact. energy: -0.777
local terms energy: -170.202862
where:
bonds (distance) C4'-P energy: -43.433
bonds (distance) P-C4' energy: -60.784
flat angles C4'-P-C4' energy: -39.230
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1059.804614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.804614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.804614 (E_RNA)
where:
Base-Base interactions energy: -737.146
where: short stacking energy: -318.405
Base-Backbone interact. energy: -2.889
local terms energy: -319.769316
where:
bonds (distance) C4'-P energy: -57.838
bonds (distance) P-C4' energy: -53.980
flat angles C4'-P-C4' energy: -73.874
flat angles P-C4'-P energy: -44.570
tors. eta vs tors. theta energy: -89.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1029.642154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.642154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.642154 (E_RNA)
where:
Base-Base interactions energy: -722.792
where: short stacking energy: -279.922
Base-Backbone interact. energy: -0.290
local terms energy: -306.560854
where:
bonds (distance) C4'-P energy: -65.683
bonds (distance) P-C4' energy: -64.889
flat angles C4'-P-C4' energy: -53.472
flat angles P-C4'-P energy: -41.157
tors. eta vs tors. theta energy: -81.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1037.642761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.642761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.642761 (E_RNA)
where:
Base-Base interactions energy: -713.156
where: short stacking energy: -312.791
Base-Backbone interact. energy: -1.311
local terms energy: -323.175573
where:
bonds (distance) C4'-P energy: -62.957
bonds (distance) P-C4' energy: -70.581
flat angles C4'-P-C4' energy: -61.557
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -87.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -995.794802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.794802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.794802 (E_RNA)
where:
Base-Base interactions energy: -679.299
where: short stacking energy: -299.401
Base-Backbone interact. energy: -2.630
local terms energy: -313.865893
where:
bonds (distance) C4'-P energy: -61.057
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -66.526
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -83.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -961.578895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.578895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.578895 (E_RNA)
where:
Base-Base interactions energy: -682.381
where: short stacking energy: -282.056
Base-Backbone interact. energy: -1.302
local terms energy: -277.895886
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -58.275
flat angles C4'-P-C4' energy: -62.820
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -70.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -824.009148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.009148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.009148 (E_RNA)
where:
Base-Base interactions energy: -562.568
where: short stacking energy: -244.190
Base-Backbone interact. energy: -0.699
local terms energy: -260.741756
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -59.877
flat angles C4'-P-C4' energy: -51.352
flat angles P-C4'-P energy: -39.613
tors. eta vs tors. theta energy: -64.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -683.099047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.099047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.099047 (E_RNA)
where:
Base-Base interactions energy: -444.032
where: short stacking energy: -202.700
Base-Backbone interact. energy: -0.881
local terms energy: -238.186064
where:
bonds (distance) C4'-P energy: -47.713
bonds (distance) P-C4' energy: -61.326
flat angles C4'-P-C4' energy: -53.915
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -46.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -708.441900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.441900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.441900 (E_RNA)
where:
Base-Base interactions energy: -483.234
where: short stacking energy: -212.366
Base-Backbone interact. energy: 0.486
local terms energy: -225.693379
where:
bonds (distance) C4'-P energy: -53.314
bonds (distance) P-C4' energy: -50.240
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -45.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -646.861176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.861176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.861176 (E_RNA)
where:
Base-Base interactions energy: -412.768
where: short stacking energy: -183.511
Base-Backbone interact. energy: -0.359
local terms energy: -233.734709
where:
bonds (distance) C4'-P energy: -52.588
bonds (distance) P-C4' energy: -59.017
flat angles C4'-P-C4' energy: -51.193
flat angles P-C4'-P energy: -34.079
tors. eta vs tors. theta energy: -36.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -384.300939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.300939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.300939 (E_RNA)
where:
Base-Base interactions energy: -216.287
where: short stacking energy: -130.029
Base-Backbone interact. energy: -0.673
local terms energy: -167.340873
where:
bonds (distance) C4'-P energy: -46.808
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -42.852
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -13.290
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: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1081.686117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.686117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.686117 (E_RNA)
where:
Base-Base interactions energy: -747.602
where: short stacking energy: -348.682
Base-Backbone interact. energy: 0.316
local terms energy: -334.400247
where:
bonds (distance) C4'-P energy: -56.427
bonds (distance) P-C4' energy: -59.065
flat angles C4'-P-C4' energy: -75.742
flat angles P-C4'-P energy: -45.296
tors. eta vs tors. theta energy: -97.870
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: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1059.898315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.898315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.898315 (E_RNA)
where:
Base-Base interactions energy: -719.053
where: short stacking energy: -343.754
Base-Backbone interact. energy: -1.858
local terms energy: -338.986683
where:
bonds (distance) C4'-P energy: -61.198
bonds (distance) P-C4' energy: -59.241
flat angles C4'-P-C4' energy: -71.014
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -96.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1042.499962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.499962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.499962 (E_RNA)
where:
Base-Base interactions energy: -712.524
where: short stacking energy: -282.027
Base-Backbone interact. energy: -1.966
local terms energy: -328.009702
where:
bonds (distance) C4'-P energy: -60.103
bonds (distance) P-C4' energy: -68.401
flat angles C4'-P-C4' energy: -66.872
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -89.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -979.970609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.970609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.970609 (E_RNA)
where:
Base-Base interactions energy: -685.690
where: short stacking energy: -279.107
Base-Backbone interact. energy: -0.508
local terms energy: -293.772140
where:
bonds (distance) C4'-P energy: -49.852
bonds (distance) P-C4' energy: -62.503
flat angles C4'-P-C4' energy: -67.599
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -76.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -897.104912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.104912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.104912 (E_RNA)
where:
Base-Base interactions energy: -642.466
where: short stacking energy: -262.360
Base-Backbone interact. energy: -1.942
local terms energy: -252.696859
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -49.944
flat angles P-C4'-P energy: -36.817
tors. eta vs tors. theta energy: -62.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -823.352449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.352449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.352449 (E_RNA)
where:
Base-Base interactions energy: -549.256
where: short stacking energy: -238.267
Base-Backbone interact. energy: -1.474
local terms energy: -272.622518
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -59.620
flat angles C4'-P-C4' energy: -63.613
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -56.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -708.357836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.357836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.357836 (E_RNA)
where:
Base-Base interactions energy: -459.229
where: short stacking energy: -228.237
Base-Backbone interact. energy: -0.582
local terms energy: -248.547303
where:
bonds (distance) C4'-P energy: -49.212
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -50.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -717.460652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.460652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.460652 (E_RNA)
where:
Base-Base interactions energy: -464.355
where: short stacking energy: -222.580
Base-Backbone interact. energy: 0.738
local terms energy: -253.843696
where:
bonds (distance) C4'-P energy: -49.348
bonds (distance) P-C4' energy: -55.414
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -56.446
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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -630.237395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.237395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.237395 (E_RNA)
where:
Base-Base interactions energy: -416.974
where: short stacking energy: -165.676
Base-Backbone interact. energy: -0.882
local terms energy: -212.381637
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -42.528
flat angles P-C4'-P energy: -30.430
tors. eta vs tors. theta energy: -39.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -435.485162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.485162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.485162 (E_RNA)
where:
Base-Base interactions energy: -228.618
where: short stacking energy: -118.300
Base-Backbone interact. energy: 0.709
local terms energy: -207.576502
where:
bonds (distance) C4'-P energy: -40.521
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -47.329
flat angles P-C4'-P energy: -38.739
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: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1072.300687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.300687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.300687 (E_RNA)
where:
Base-Base interactions energy: -735.340
where: short stacking energy: -331.847
Base-Backbone interact. energy: -0.563
local terms energy: -336.398043
where:
bonds (distance) C4'-P energy: -63.550
bonds (distance) P-C4' energy: -60.826
flat angles C4'-P-C4' energy: -71.663
flat angles P-C4'-P energy: -50.986
tors. eta vs tors. theta energy: -89.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1037.352975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.352975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.352975 (E_RNA)
where:
Base-Base interactions energy: -697.146
where: short stacking energy: -317.400
Base-Backbone interact. energy: -1.360
local terms energy: -338.846780
where:
bonds (distance) C4'-P energy: -58.811
bonds (distance) P-C4' energy: -63.145
flat angles C4'-P-C4' energy: -73.002
flat angles P-C4'-P energy: -51.749
tors. eta vs tors. theta energy: -92.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1014.635596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.635596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.635596 (E_RNA)
where:
Base-Base interactions energy: -710.839
where: short stacking energy: -277.255
Base-Backbone interact. energy: 0.387
local terms energy: -304.183136
where:
bonds (distance) C4'-P energy: -54.736
bonds (distance) P-C4' energy: -63.033
flat angles C4'-P-C4' energy: -69.141
flat angles P-C4'-P energy: -36.801
tors. eta vs tors. theta energy: -80.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -984.730934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.730934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.730934 (E_RNA)
where:
Base-Base interactions energy: -684.468
where: short stacking energy: -295.127
Base-Backbone interact. energy: -1.040
local terms energy: -299.222794
where:
bonds (distance) C4'-P energy: -46.979
bonds (distance) P-C4' energy: -56.747
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -50.358
tors. eta vs tors. theta energy: -78.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -920.635556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.635556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.635556 (E_RNA)
where:
Base-Base interactions energy: -633.488
where: short stacking energy: -267.327
Base-Backbone interact. energy: -0.915
local terms energy: -286.232888
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -59.905
flat angles C4'-P-C4' energy: -71.935
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -60.854
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: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -812.292051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.292051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.292051 (E_RNA)
where:
Base-Base interactions energy: -546.362
where: short stacking energy: -227.165
Base-Backbone interact. energy: -1.724
local terms energy: -264.206423
where:
bonds (distance) C4'-P energy: -58.209
bonds (distance) P-C4' energy: -65.849
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -33.118
tors. eta vs tors. theta energy: -52.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -754.024903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.024903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.024903 (E_RNA)
where:
Base-Base interactions energy: -501.153
where: short stacking energy: -227.146
Base-Backbone interact. energy: -1.690
local terms energy: -251.181332
where:
bonds (distance) C4'-P energy: -52.909
bonds (distance) P-C4' energy: -44.421
flat angles C4'-P-C4' energy: -57.052
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -58.932
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: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -692.001603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.001603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.001603 (E_RNA)
where:
Base-Base interactions energy: -446.547
where: short stacking energy: -210.632
Base-Backbone interact. energy: -0.805
local terms energy: -244.650133
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -60.197
flat angles C4'-P-C4' energy: -56.620
flat angles P-C4'-P energy: -36.271
tors. eta vs tors. theta energy: -54.733
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -631.047199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.047199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.047199 (E_RNA)
where:
Base-Base interactions energy: -393.112
where: short stacking energy: -191.633
Base-Backbone interact. energy: 3.197
local terms energy: -241.132796
where:
bonds (distance) C4'-P energy: -51.583
bonds (distance) P-C4' energy: -57.899
flat angles C4'-P-C4' energy: -56.224
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -45.501
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: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -424.165574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.165574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.165574 (E_RNA)
where:
Base-Base interactions energy: -238.870
where: short stacking energy: -109.789
Base-Backbone interact. energy: 1.367
local terms energy: -186.661920
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -55.463
flat angles C4'-P-C4' energy: -42.801
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -11.806
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: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1067.090128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.090128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.090128 (E_RNA)
where:
Base-Base interactions energy: -745.466
where: short stacking energy: -320.474
Base-Backbone interact. energy: 0.631
local terms energy: -322.255555
where:
bonds (distance) C4'-P energy: -59.791
bonds (distance) P-C4' energy: -57.301
flat angles C4'-P-C4' energy: -71.674
flat angles P-C4'-P energy: -47.539
tors. eta vs tors. theta energy: -85.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1056.889105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.889105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.889105 (E_RNA)
where:
Base-Base interactions energy: -723.586
where: short stacking energy: -343.484
Base-Backbone interact. energy: -1.404
local terms energy: -331.899000
where:
bonds (distance) C4'-P energy: -60.319
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -69.100
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -100.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1014.151234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.151234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.151234 (E_RNA)
where:
Base-Base interactions energy: -730.321
where: short stacking energy: -293.473
Base-Backbone interact. energy: -1.155
local terms energy: -282.674597
where:
bonds (distance) C4'-P energy: -50.895
bonds (distance) P-C4' energy: -61.167
flat angles C4'-P-C4' energy: -55.520
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -73.579
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: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -973.738471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.738471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.738471 (E_RNA)
where:
Base-Base interactions energy: -674.651
where: short stacking energy: -291.849
Base-Backbone interact. energy: -1.405
local terms energy: -297.682646
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -62.281
flat angles C4'-P-C4' energy: -63.314
flat angles P-C4'-P energy: -41.952
tors. eta vs tors. theta energy: -75.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -904.764714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.764714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.764714 (E_RNA)
where:
Base-Base interactions energy: -630.156
where: short stacking energy: -257.020
Base-Backbone interact. energy: 0.128
local terms energy: -274.736836
where:
bonds (distance) C4'-P energy: -55.733
bonds (distance) P-C4' energy: -57.201
flat angles C4'-P-C4' energy: -62.452
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -62.422
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: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -807.645620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.645620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.645620 (E_RNA)
where:
Base-Base interactions energy: -554.817
where: short stacking energy: -232.952
Base-Backbone interact. energy: -1.016
local terms energy: -251.812653
where:
bonds (distance) C4'-P energy: -58.997
bonds (distance) P-C4' energy: -45.638
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -34.379
tors. eta vs tors. theta energy: -59.296
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: 93
Temperature: 1.200000
Total energy: -760.813740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.813740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.813740 (E_RNA)
where:
Base-Base interactions energy: -502.634
where: short stacking energy: -228.114
Base-Backbone interact. energy: 0.707
local terms energy: -258.886660
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -53.897
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -65.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -660.318449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.318449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.318449 (E_RNA)
where:
Base-Base interactions energy: -413.938
where: short stacking energy: -188.218
Base-Backbone interact. energy: 1.004
local terms energy: -247.384332
where:
bonds (distance) C4'-P energy: -49.578
bonds (distance) P-C4' energy: -55.687
flat angles C4'-P-C4' energy: -55.379
flat angles P-C4'-P energy: -47.595
tors. eta vs tors. theta energy: -39.145
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: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -594.936768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.936768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.936768 (E_RNA)
where:
Base-Base interactions energy: -380.626
where: short stacking energy: -190.059
Base-Backbone interact. energy: -0.426
local terms energy: -213.884846
where:
bonds (distance) C4'-P energy: -50.194
bonds (distance) P-C4' energy: -63.544
flat angles C4'-P-C4' energy: -42.890
flat angles P-C4'-P energy: -28.975
tors. eta vs tors. theta energy: -28.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -461.525677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.525677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.525677 (E_RNA)
where:
Base-Base interactions energy: -259.830
where: short stacking energy: -131.841
Base-Backbone interact. energy: -3.064
local terms energy: -198.631429
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -60.009
flat angles C4'-P-C4' energy: -48.851
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1093.377184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.377184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.377184 (E_RNA)
where:
Base-Base interactions energy: -766.467
where: short stacking energy: -338.114
Base-Backbone interact. energy: 1.326
local terms energy: -328.236180
where:
bonds (distance) C4'-P energy: -59.871
bonds (distance) P-C4' energy: -59.452
flat angles C4'-P-C4' energy: -69.238
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -93.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1058.954964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.954964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.954964 (E_RNA)
where:
Base-Base interactions energy: -725.048
where: short stacking energy: -336.793
Base-Backbone interact. energy: -3.364
local terms energy: -330.543676
where:
bonds (distance) C4'-P energy: -63.624
bonds (distance) P-C4' energy: -55.775
flat angles C4'-P-C4' energy: -61.158
flat angles P-C4'-P energy: -51.049
tors. eta vs tors. theta energy: -98.937
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: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1014.653533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.653533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.653533 (E_RNA)
where:
Base-Base interactions energy: -711.982
where: short stacking energy: -306.710
Base-Backbone interact. energy: -2.302
local terms energy: -300.369519
where:
bonds (distance) C4'-P energy: -66.770
bonds (distance) P-C4' energy: -52.666
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: -77.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -963.630586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.630586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.630586 (E_RNA)
where:
Base-Base interactions energy: -666.330
where: short stacking energy: -261.183
Base-Backbone interact. energy: -0.705
local terms energy: -296.596356
where:
bonds (distance) C4'-P energy: -57.565
bonds (distance) P-C4' energy: -57.252
flat angles C4'-P-C4' energy: -63.298
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -79.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -937.664670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.664670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.664670 (E_RNA)
where:
Base-Base interactions energy: -666.562
where: short stacking energy: -281.111
Base-Backbone interact. energy: 3.318
local terms energy: -274.420089
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -59.754
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -78.999
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: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -811.631492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.631492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.631492 (E_RNA)
where:
Base-Base interactions energy: -544.704
where: short stacking energy: -240.904
Base-Backbone interact. energy: -2.815
local terms energy: -264.112473
where:
bonds (distance) C4'-P energy: -53.901
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -59.626
flat angles P-C4'-P energy: -34.885
tors. eta vs tors. theta energy: -56.967
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: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -765.519849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.519849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.519849 (E_RNA)
where:
Base-Base interactions energy: -512.338
where: short stacking energy: -218.456
Base-Backbone interact. energy: 0.110
local terms energy: -253.291707
where:
bonds (distance) C4'-P energy: -50.446
bonds (distance) P-C4' energy: -63.936
flat angles C4'-P-C4' energy: -47.054
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: -52.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -627.271471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.271471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.271471 (E_RNA)
where:
Base-Base interactions energy: -395.044
where: short stacking energy: -180.482
Base-Backbone interact. energy: 0.319
local terms energy: -232.545683
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -60.960
flat angles C4'-P-C4' energy: -53.182
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -36.084
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: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -593.310781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.310781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.310781 (E_RNA)
where:
Base-Base interactions energy: -386.904
where: short stacking energy: -192.099
Base-Backbone interact. energy: 0.152
local terms energy: -206.559484
where:
bonds (distance) C4'-P energy: -40.395
bonds (distance) P-C4' energy: -41.468
flat angles C4'-P-C4' energy: -49.781
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -39.872
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: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -420.545618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.545618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.545618 (E_RNA)
where:
Base-Base interactions energy: -242.249
where: short stacking energy: -136.950
Base-Backbone interact. energy: -2.296
local terms energy: -176.001410
where:
bonds (distance) C4'-P energy: -37.298
bonds (distance) P-C4' energy: -48.030
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1116.686451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.686451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.686451 (E_RNA)
where:
Base-Base interactions energy: -789.006
where: short stacking energy: -358.391
Base-Backbone interact. energy: 0.991
local terms energy: -328.671802
where:
bonds (distance) C4'-P energy: -53.210
bonds (distance) P-C4' energy: -66.012
flat angles C4'-P-C4' energy: -69.056
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -97.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1039.431632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.431632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.431632 (E_RNA)
where:
Base-Base interactions energy: -703.384
where: short stacking energy: -316.204
Base-Backbone interact. energy: 0.520
local terms energy: -336.567808
where:
bonds (distance) C4'-P energy: -66.367
bonds (distance) P-C4' energy: -66.317
flat angles C4'-P-C4' energy: -70.052
flat angles P-C4'-P energy: -44.018
tors. eta vs tors. theta energy: -89.814
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: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1017.380821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.380821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.380821 (E_RNA)
where:
Base-Base interactions energy: -700.016
where: short stacking energy: -304.753
Base-Backbone interact. energy: -2.308
local terms energy: -315.057199
where:
bonds (distance) C4'-P energy: -58.007
bonds (distance) P-C4' energy: -61.063
flat angles C4'-P-C4' energy: -70.460
flat angles P-C4'-P energy: -43.434
tors. eta vs tors. theta energy: -82.093
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -951.825653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.825653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.825653 (E_RNA)
where:
Base-Base interactions energy: -665.487
where: short stacking energy: -269.219
Base-Backbone interact. energy: -3.732
local terms energy: -282.606215
where:
bonds (distance) C4'-P energy: -57.460
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -59.462
flat angles P-C4'-P energy: -39.712
tors. eta vs tors. theta energy: -70.952
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: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -930.909889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.909889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.909889 (E_RNA)
where:
Base-Base interactions energy: -655.116
where: short stacking energy: -253.706
Base-Backbone interact. energy: -0.547
local terms energy: -275.246787
where:
bonds (distance) C4'-P energy: -47.392
bonds (distance) P-C4' energy: -56.742
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -38.285
tors. eta vs tors. theta energy: -75.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -819.867634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.867634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.867634 (E_RNA)
where:
Base-Base interactions energy: -548.424
where: short stacking energy: -227.702
Base-Backbone interact. energy: -2.300
local terms energy: -269.143694
where:
bonds (distance) C4'-P energy: -58.362
bonds (distance) P-C4' energy: -60.426
flat angles C4'-P-C4' energy: -56.425
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -54.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -767.683910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.683910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.683910 (E_RNA)
where:
Base-Base interactions energy: -511.050
where: short stacking energy: -238.294
Base-Backbone interact. energy: -1.092
local terms energy: -255.542177
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -47.493
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -62.095
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: 95
Temperature: 1.250000
Total energy: -697.572621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.572621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.572621 (E_RNA)
where:
Base-Base interactions energy: -470.355
where: short stacking energy: -204.603
Base-Backbone interact. energy: -0.128
local terms energy: -227.090122
where:
bonds (distance) C4'-P energy: -54.406
bonds (distance) P-C4' energy: -51.095
flat angles C4'-P-C4' energy: -49.425
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -573.833375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.833375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.833375 (E_RNA)
where:
Base-Base interactions energy: -363.171
where: short stacking energy: -184.173
Base-Backbone interact. energy: 5.686
local terms energy: -216.348428
where:
bonds (distance) C4'-P energy: -48.644
bonds (distance) P-C4' energy: -63.878
flat angles C4'-P-C4' energy: -45.909
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -37.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -419.800811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.800811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.800811 (E_RNA)
where:
Base-Base interactions energy: -239.392
where: short stacking energy: -112.936
Base-Backbone interact. energy: -1.107
local terms energy: -179.301797
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -46.951
flat angles C4'-P-C4' energy: -45.644
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1104.017477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.017477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.017477 (E_RNA)
where:
Base-Base interactions energy: -773.842
where: short stacking energy: -330.941
Base-Backbone interact. energy: -0.921
local terms energy: -329.254331
where:
bonds (distance) C4'-P energy: -58.460
bonds (distance) P-C4' energy: -63.321
flat angles C4'-P-C4' energy: -67.330
flat angles P-C4'-P energy: -46.835
tors. eta vs tors. theta energy: -93.309
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: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1044.401369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.401369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.401369 (E_RNA)
where:
Base-Base interactions energy: -722.667
where: short stacking energy: -329.632
Base-Backbone interact. energy: -1.251
local terms energy: -320.483642
where:
bonds (distance) C4'-P energy: -61.152
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -65.588
flat angles P-C4'-P energy: -43.237
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: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1036.418546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.418546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.418546 (E_RNA)
where:
Base-Base interactions energy: -720.030
where: short stacking energy: -307.452
Base-Backbone interact. energy: -2.632
local terms energy: -313.757147
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -62.583
flat angles C4'-P-C4' energy: -61.499
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -79.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -930.982909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.982909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.982909 (E_RNA)
where:
Base-Base interactions energy: -662.548
where: short stacking energy: -279.398
Base-Backbone interact. energy: 0.051
local terms energy: -268.485359
where:
bonds (distance) C4'-P energy: -53.941
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: -58.287
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: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -907.874053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.874053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.874053 (E_RNA)
where:
Base-Base interactions energy: -641.940
where: short stacking energy: -248.307
Base-Backbone interact. energy: -2.487
local terms energy: -263.446750
where:
bonds (distance) C4'-P energy: -54.577
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -61.894
flat angles P-C4'-P energy: -31.414
tors. eta vs tors. theta energy: -62.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -826.743763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.743763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.743763 (E_RNA)
where:
Base-Base interactions energy: -554.940
where: short stacking energy: -237.442
Base-Backbone interact. energy: -1.754
local terms energy: -270.049316
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -62.045
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -38.019
tors. eta vs tors. theta energy: -54.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -777.470770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.470770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.470770 (E_RNA)
where:
Base-Base interactions energy: -527.018
where: short stacking energy: -240.793
Base-Backbone interact. energy: -0.366
local terms energy: -250.087227
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -58.958
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -52.249
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: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -684.708545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.708545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.708545 (E_RNA)
where:
Base-Base interactions energy: -423.110
where: short stacking energy: -206.358
Base-Backbone interact. energy: -1.434
local terms energy: -260.163943
where:
bonds (distance) C4'-P energy: -60.666
bonds (distance) P-C4' energy: -62.705
flat angles C4'-P-C4' energy: -46.473
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -59.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -567.748484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.748484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.748484 (E_RNA)
where:
Base-Base interactions energy: -338.263
where: short stacking energy: -160.690
Base-Backbone interact. energy: -0.001
local terms energy: -229.484932
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -60.008
flat angles P-C4'-P energy: -37.118
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -349.346635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.346635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.346635 (E_RNA)
where:
Base-Base interactions energy: -179.188
where: short stacking energy: -104.607
Base-Backbone interact. energy: 0.956
local terms energy: -171.114247
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -47.772
flat angles C4'-P-C4' energy: -48.436
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1101.331242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.331242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.331242 (E_RNA)
where:
Base-Base interactions energy: -769.312
where: short stacking energy: -330.030
Base-Backbone interact. energy: 2.189
local terms energy: -334.208089
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -68.716
flat angles C4'-P-C4' energy: -71.475
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -93.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1066.283902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.283902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.283902 (E_RNA)
where:
Base-Base interactions energy: -729.716
where: short stacking energy: -344.671
Base-Backbone interact. energy: -1.807
local terms energy: -334.760931
where:
bonds (distance) C4'-P energy: -59.285
bonds (distance) P-C4' energy: -62.983
flat angles C4'-P-C4' energy: -70.762
flat angles P-C4'-P energy: -42.747
tors. eta vs tors. theta energy: -98.984
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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1024.573989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.573989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.573989 (E_RNA)
where:
Base-Base interactions energy: -714.902
where: short stacking energy: -297.663
Base-Backbone interact. energy: 0.044
local terms energy: -309.716117
where:
bonds (distance) C4'-P energy: -63.291
bonds (distance) P-C4' energy: -57.500
flat angles C4'-P-C4' energy: -66.169
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -81.417
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: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -949.565266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.565266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.565266 (E_RNA)
where:
Base-Base interactions energy: -669.979
where: short stacking energy: -265.794
Base-Backbone interact. energy: -0.383
local terms energy: -279.203020
where:
bonds (distance) C4'-P energy: -55.557
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -61.115
flat angles P-C4'-P energy: -46.550
tors. eta vs tors. theta energy: -65.535
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: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -936.388488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.388488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.388488 (E_RNA)
where:
Base-Base interactions energy: -652.321
where: short stacking energy: -263.321
Base-Backbone interact. energy: 1.017
local terms energy: -285.085288
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -43.359
tors. eta vs tors. theta energy: -70.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -793.898926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.898926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.898926 (E_RNA)
where:
Base-Base interactions energy: -522.928
where: short stacking energy: -250.464
Base-Backbone interact. energy: -0.943
local terms energy: -270.027476
where:
bonds (distance) C4'-P energy: -48.204
bonds (distance) P-C4' energy: -58.533
flat angles C4'-P-C4' energy: -59.305
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -70.178
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -812.456199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.456199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.456199 (E_RNA)
where:
Base-Base interactions energy: -543.341
where: short stacking energy: -233.771
Base-Backbone interact. energy: -1.847
local terms energy: -267.267634
where:
bonds (distance) C4'-P energy: -39.342
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -63.998
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -67.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -691.454029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.454029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.454029 (E_RNA)
where:
Base-Base interactions energy: -460.690
where: short stacking energy: -221.840
Base-Backbone interact. energy: -0.566
local terms energy: -230.197816
where:
bonds (distance) C4'-P energy: -37.034
bonds (distance) P-C4' energy: -55.318
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -44.547
tors. eta vs tors. theta energy: -53.028
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: 97
Temperature: 1.300000
Total energy: -595.513698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.513698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.513698 (E_RNA)
where:
Base-Base interactions energy: -375.351
where: short stacking energy: -178.915
Base-Backbone interact. energy: -1.296
local terms energy: -218.866680
where:
bonds (distance) C4'-P energy: -46.188
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -52.862
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -35.188
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: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -421.291733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.291733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.291733 (E_RNA)
where:
Base-Base interactions energy: -223.504
where: short stacking energy: -117.975
Base-Backbone interact. energy: 5.753
local terms energy: -203.540333
where:
bonds (distance) C4'-P energy: -55.804
bonds (distance) P-C4' energy: -39.920
flat angles C4'-P-C4' energy: -51.494
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -20.227
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: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1085.563706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.563706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.563706 (E_RNA)
where:
Base-Base interactions energy: -770.106
where: short stacking energy: -332.870
Base-Backbone interact. energy: 0.848
local terms energy: -316.305453
where:
bonds (distance) C4'-P energy: -65.393
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -64.704
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -91.245
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: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1058.088967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.088967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.088967 (E_RNA)
where:
Base-Base interactions energy: -729.580
where: short stacking energy: -329.024
Base-Backbone interact. energy: -0.811
local terms energy: -327.697873
where:
bonds (distance) C4'-P energy: -62.600
bonds (distance) P-C4' energy: -65.947
flat angles C4'-P-C4' energy: -68.055
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -96.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1001.380140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.380140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.380140 (E_RNA)
where:
Base-Base interactions energy: -701.028
where: short stacking energy: -297.544
Base-Backbone interact. energy: 1.033
local terms energy: -301.384264
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -45.956
tors. eta vs tors. theta energy: -86.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -939.841793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.841793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.841793 (E_RNA)
where:
Base-Base interactions energy: -666.963
where: short stacking energy: -292.869
Base-Backbone interact. energy: -1.732
local terms energy: -271.146753
where:
bonds (distance) C4'-P energy: -51.467
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -63.258
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -71.863
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: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -927.463188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.463188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.463188 (E_RNA)
where:
Base-Base interactions energy: -633.914
where: short stacking energy: -265.831
Base-Backbone interact. energy: -1.258
local terms energy: -292.291135
where:
bonds (distance) C4'-P energy: -63.733
bonds (distance) P-C4' energy: -54.063
flat angles C4'-P-C4' energy: -55.879
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -80.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -801.893230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.893230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.893230 (E_RNA)
where:
Base-Base interactions energy: -531.068
where: short stacking energy: -251.829
Base-Backbone interact. energy: -0.644
local terms energy: -270.181218
where:
bonds (distance) C4'-P energy: -48.407
bonds (distance) P-C4' energy: -57.755
flat angles C4'-P-C4' energy: -59.721
flat angles P-C4'-P energy: -37.876
tors. eta vs tors. theta energy: -66.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -784.278904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.278904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.278904 (E_RNA)
where:
Base-Base interactions energy: -526.002
where: short stacking energy: -214.885
Base-Backbone interact. energy: -1.227
local terms energy: -257.050572
where:
bonds (distance) C4'-P energy: -39.878
bonds (distance) P-C4' energy: -62.728
flat angles C4'-P-C4' energy: -64.790
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: -54.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -694.266133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.266133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.266133 (E_RNA)
where:
Base-Base interactions energy: -458.310
where: short stacking energy: -208.518
Base-Backbone interact. energy: -0.888
local terms energy: -235.067603
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -52.998
flat angles C4'-P-C4' energy: -47.770
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -51.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -602.663734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.663734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.663734 (E_RNA)
where:
Base-Base interactions energy: -397.546
where: short stacking energy: -182.175
Base-Backbone interact. energy: -0.949
local terms energy: -204.168408
where:
bonds (distance) C4'-P energy: -51.133
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -47.036
flat angles P-C4'-P energy: -30.931
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -402.095725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.095725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.095725 (E_RNA)
where:
Base-Base interactions energy: -213.805
where: short stacking energy: -110.614
Base-Backbone interact. energy: -1.079
local terms energy: -187.210804
where:
bonds (distance) C4'-P energy: -45.514
bonds (distance) P-C4' energy: -48.259
flat angles C4'-P-C4' energy: -52.251
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -7.154
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: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1090.859663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.859663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.859663 (E_RNA)
where:
Base-Base interactions energy: -758.551
where: short stacking energy: -342.399
Base-Backbone interact. energy: -0.621
local terms energy: -331.687760
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -65.939
flat angles C4'-P-C4' energy: -67.420
flat angles P-C4'-P energy: -46.925
tors. eta vs tors. theta energy: -90.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1029.861599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.861599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.861599 (E_RNA)
where:
Base-Base interactions energy: -716.675
where: short stacking energy: -292.390
Base-Backbone interact. energy: -0.968
local terms energy: -312.218553
where:
bonds (distance) C4'-P energy: -60.868
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -70.507
flat angles P-C4'-P energy: -44.110
tors. eta vs tors. theta energy: -79.027
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: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1015.849115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.849115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.849115 (E_RNA)
where:
Base-Base interactions energy: -702.052
where: short stacking energy: -316.834
Base-Backbone interact. energy: -2.006
local terms energy: -311.791269
where:
bonds (distance) C4'-P energy: -58.540
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -61.811
flat angles P-C4'-P energy: -49.639
tors. eta vs tors. theta energy: -89.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -962.450257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.450257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.450257 (E_RNA)
where:
Base-Base interactions energy: -681.757
where: short stacking energy: -277.045
Base-Backbone interact. energy: -2.061
local terms energy: -278.632430
where:
bonds (distance) C4'-P energy: -59.841
bonds (distance) P-C4' energy: -51.623
flat angles C4'-P-C4' energy: -56.353
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -77.933
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: 99
Temperature: 1.100000
Total energy: -936.297585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.297585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.297585 (E_RNA)
where:
Base-Base interactions energy: -653.712
where: short stacking energy: -270.464
Base-Backbone interact. energy: -2.427
local terms energy: -280.158560
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -50.447
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: -78.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -790.553643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.553643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.553643 (E_RNA)
where:
Base-Base interactions energy: -537.595
where: short stacking energy: -242.220
Base-Backbone interact. energy: -1.058
local terms energy: -251.899971
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -43.469
flat angles C4'-P-C4' energy: -58.124
flat angles P-C4'-P energy: -32.466
tors. eta vs tors. theta energy: -67.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -744.550923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.550923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.550923 (E_RNA)
where:
Base-Base interactions energy: -480.242
where: short stacking energy: -216.632
Base-Backbone interact. energy: -0.819
local terms energy: -263.490004
where:
bonds (distance) C4'-P energy: -51.477
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -60.004
flat angles P-C4'-P energy: -40.223
tors. eta vs tors. theta energy: -57.119
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: 99
Temperature: 1.250000
Total energy: -624.335678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.335678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.335678 (E_RNA)
where:
Base-Base interactions energy: -415.839
where: short stacking energy: -184.112
Base-Backbone interact. energy: -1.930
local terms energy: -206.566779
where:
bonds (distance) C4'-P energy: -50.538
bonds (distance) P-C4' energy: -53.248
flat angles C4'-P-C4' energy: -43.877
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -30.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -664.677683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.677683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.677683 (E_RNA)
where:
Base-Base interactions energy: -449.167
where: short stacking energy: -192.367
Base-Backbone interact. energy: -1.555
local terms energy: -213.955837
where:
bonds (distance) C4'-P energy: -38.036
bonds (distance) P-C4' energy: -44.377
flat angles C4'-P-C4' energy: -46.795
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -49.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -409.078526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.078526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.078526 (E_RNA)
where:
Base-Base interactions energy: -217.880
where: short stacking energy: -123.670
Base-Backbone interact. energy: 0.935
local terms energy: -192.132755
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -58.302
flat angles C4'-P-C4' energy: -44.973
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1096.027318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.027318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.027318 (E_RNA)
where:
Base-Base interactions energy: -783.539
where: short stacking energy: -350.494
Base-Backbone interact. energy: 3.698
local terms energy: -316.185626
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -67.833
flat angles P-C4'-P energy: -39.853
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: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1034.742466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.742466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.742466 (E_RNA)
where:
Base-Base interactions energy: -725.523
where: short stacking energy: -306.536
Base-Backbone interact. energy: 1.437
local terms energy: -310.657274
where:
bonds (distance) C4'-P energy: -63.945
bonds (distance) P-C4' energy: -60.249
flat angles C4'-P-C4' energy: -66.984
flat angles P-C4'-P energy: -36.362
tors. eta vs tors. theta energy: -83.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1034.153619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.153619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.153619 (E_RNA)
where:
Base-Base interactions energy: -709.843
where: short stacking energy: -307.617
Base-Backbone interact. energy: -1.532
local terms energy: -322.778685
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -63.981
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: -90.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -949.422731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.422731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.422731 (E_RNA)
where:
Base-Base interactions energy: -673.664
where: short stacking energy: -276.576
Base-Backbone interact. energy: -2.069
local terms energy: -273.690246
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -64.618
flat angles C4'-P-C4' energy: -58.021
flat angles P-C4'-P energy: -36.981
tors. eta vs tors. theta energy: -64.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -941.568764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.568764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.568764 (E_RNA)
where:
Base-Base interactions energy: -665.798
where: short stacking energy: -268.810
Base-Backbone interact. energy: 0.433
local terms energy: -276.204194
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -61.278
flat angles C4'-P-C4' energy: -60.502
flat angles P-C4'-P energy: -32.818
tors. eta vs tors. theta energy: -79.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -803.698122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.698122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.698122 (E_RNA)
where:
Base-Base interactions energy: -568.830
where: short stacking energy: -231.193
Base-Backbone interact. energy: -2.241
local terms energy: -232.627075
where:
bonds (distance) C4'-P energy: -51.072
bonds (distance) P-C4' energy: -52.766
flat angles C4'-P-C4' energy: -43.085
flat angles P-C4'-P energy: -35.117
tors. eta vs tors. theta energy: -50.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -774.218811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.218811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.218811 (E_RNA)
where:
Base-Base interactions energy: -507.924
where: short stacking energy: -239.617
Base-Backbone interact. energy: 0.317
local terms energy: -266.612231
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -54.329
flat angles C4'-P-C4' energy: -64.424
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -62.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -632.091029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.091029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.091029 (E_RNA)
where:
Base-Base interactions energy: -410.690
where: short stacking energy: -184.492
Base-Backbone interact. energy: -0.140
local terms energy: -221.260533
where:
bonds (distance) C4'-P energy: -54.391
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -51.264
flat angles P-C4'-P energy: -33.909
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -676.421727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.421727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.421727 (E_RNA)
where:
Base-Base interactions energy: -466.260
where: short stacking energy: -223.641
Base-Backbone interact. energy: 0.789
local terms energy: -210.950846
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -55.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -428.162983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.162983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.162983 (E_RNA)
where:
Base-Base interactions energy: -248.711
where: short stacking energy: -127.608
Base-Backbone interact. energy: 2.524
local terms energy: -181.976594
where:
bonds (distance) C4'-P energy: -54.645
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -43.497
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -14.166
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: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1120.715587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.715587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.715587 (E_RNA)
where:
Base-Base interactions energy: -801.067
where: short stacking energy: -346.770
Base-Backbone interact. energy: -0.457
local terms energy: -319.192134
where:
bonds (distance) C4'-P energy: -51.446
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -68.510
flat angles P-C4'-P energy: -49.907
tors. eta vs tors. theta energy: -94.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1032.428125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.428125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.428125 (E_RNA)
where:
Base-Base interactions energy: -720.542
where: short stacking energy: -304.772
Base-Backbone interact. energy: -0.935
local terms energy: -310.950423
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -62.013
flat angles C4'-P-C4' energy: -70.315
flat angles P-C4'-P energy: -46.323
tors. eta vs tors. theta energy: -76.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1056.464254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.464254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.464254 (E_RNA)
where:
Base-Base interactions energy: -735.565
where: short stacking energy: -328.435
Base-Backbone interact. energy: -0.721
local terms energy: -320.177901
where:
bonds (distance) C4'-P energy: -59.093
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -47.601
tors. eta vs tors. theta energy: -93.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -969.506260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.506260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.506260 (E_RNA)
where:
Base-Base interactions energy: -682.860
where: short stacking energy: -259.218
Base-Backbone interact. energy: 1.061
local terms energy: -287.707062
where:
bonds (distance) C4'-P energy: -55.092
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -56.968
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -76.591
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: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -909.954287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.954287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.954287 (E_RNA)
where:
Base-Base interactions energy: -646.687
where: short stacking energy: -268.295
Base-Backbone interact. energy: -1.940
local terms energy: -261.327494
where:
bonds (distance) C4'-P energy: -47.411
bonds (distance) P-C4' energy: -55.211
flat angles C4'-P-C4' energy: -58.407
flat angles P-C4'-P energy: -39.107
tors. eta vs tors. theta energy: -61.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -799.058242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.058242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.058242 (E_RNA)
where:
Base-Base interactions energy: -546.789
where: short stacking energy: -238.188
Base-Backbone interact. energy: -0.209
local terms energy: -252.060631
where:
bonds (distance) C4'-P energy: -47.327
bonds (distance) P-C4' energy: -56.870
flat angles C4'-P-C4' energy: -56.907
flat angles P-C4'-P energy: -36.154
tors. eta vs tors. theta energy: -54.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -736.892647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.892647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.892647 (E_RNA)
where:
Base-Base interactions energy: -467.047
where: short stacking energy: -217.355
Base-Backbone interact. energy: -0.036
local terms energy: -269.809067
where:
bonds (distance) C4'-P energy: -50.721
bonds (distance) P-C4' energy: -53.907
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -48.838
tors. eta vs tors. theta energy: -55.249
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: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -691.226566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.226566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.226566 (E_RNA)
where:
Base-Base interactions energy: -449.290
where: short stacking energy: -224.764
Base-Backbone interact. energy: -0.269
local terms energy: -241.668421
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -61.810
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -55.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -605.860026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.860026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.860026 (E_RNA)
where:
Base-Base interactions energy: -394.728
where: short stacking energy: -181.962
Base-Backbone interact. energy: -1.700
local terms energy: -209.432095
where:
bonds (distance) C4'-P energy: -42.046
bonds (distance) P-C4' energy: -57.063
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -32.946
tors. eta vs tors. theta energy: -23.539
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: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -430.667667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.667667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.667667 (E_RNA)
where:
Base-Base interactions energy: -266.295
where: short stacking energy: -123.864
Base-Backbone interact. energy: -1.271
local terms energy: -163.101509
where:
bonds (distance) C4'-P energy: -42.899
bonds (distance) P-C4' energy: -48.435
flat angles C4'-P-C4' energy: -39.662
flat angles P-C4'-P energy: -27.366
tors. eta vs tors. theta energy: -4.740
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1115.546423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.546423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.546423 (E_RNA)
where:
Base-Base interactions energy: -785.272
where: short stacking energy: -336.522
Base-Backbone interact. energy: -1.971
local terms energy: -328.303230
where:
bonds (distance) C4'-P energy: -57.901
bonds (distance) P-C4' energy: -65.622
flat angles C4'-P-C4' energy: -75.719
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -91.212
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: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1048.025754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.025754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.025754 (E_RNA)
where:
Base-Base interactions energy: -728.339
where: short stacking energy: -305.597
Base-Backbone interact. energy: -0.518
local terms energy: -319.168574
where:
bonds (distance) C4'-P energy: -61.990
bonds (distance) P-C4' energy: -59.041
flat angles C4'-P-C4' energy: -65.361
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -84.926
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: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -991.066166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.066166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.066166 (E_RNA)
where:
Base-Base interactions energy: -689.850
where: short stacking energy: -285.848
Base-Backbone interact. energy: 0.529
local terms energy: -301.745115
where:
bonds (distance) C4'-P energy: -56.618
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -59.990
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -76.536
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: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -997.012844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.012844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.012844 (E_RNA)
where:
Base-Base interactions energy: -685.107
where: short stacking energy: -310.855
Base-Backbone interact. energy: 1.033
local terms energy: -312.938484
where:
bonds (distance) C4'-P energy: -63.285
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -52.422
flat angles P-C4'-P energy: -50.072
tors. eta vs tors. theta energy: -91.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -930.267309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.267309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.267309 (E_RNA)
where:
Base-Base interactions energy: -646.062
where: short stacking energy: -274.347
Base-Backbone interact. energy: -0.744
local terms energy: -283.461394
where:
bonds (distance) C4'-P energy: -49.835
bonds (distance) P-C4' energy: -66.695
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -65.737
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -852.804569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.804569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.804569 (E_RNA)
where:
Base-Base interactions energy: -590.651
where: short stacking energy: -253.105
Base-Backbone interact. energy: -1.720
local terms energy: -260.432709
where:
bonds (distance) C4'-P energy: -41.410
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -61.687
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -62.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -763.219080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.219080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.219080 (E_RNA)
where:
Base-Base interactions energy: -518.590
where: short stacking energy: -233.352
Base-Backbone interact. energy: 2.974
local terms energy: -247.602924
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -55.418
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: -50.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -717.480669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.480669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.480669 (E_RNA)
where:
Base-Base interactions energy: -461.899
where: short stacking energy: -227.516
Base-Backbone interact. energy: 0.514
local terms energy: -256.095765
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -58.110
flat angles P-C4'-P energy: -41.421
tors. eta vs tors. theta energy: -55.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -593.946316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.946316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.946316 (E_RNA)
where:
Base-Base interactions energy: -386.026
where: short stacking energy: -177.689
Base-Backbone interact. energy: -0.844
local terms energy: -207.076265
where:
bonds (distance) C4'-P energy: -45.188
bonds (distance) P-C4' energy: -45.116
flat angles C4'-P-C4' energy: -51.668
flat angles P-C4'-P energy: -33.717
tors. eta vs tors. theta energy: -31.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -464.392415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.392415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.392415 (E_RNA)
where:
Base-Base interactions energy: -268.474
where: short stacking energy: -141.486
Base-Backbone interact. energy: -1.168
local terms energy: -194.750412
where:
bonds (distance) C4'-P energy: -56.492
bonds (distance) P-C4' energy: -50.399
flat angles C4'-P-C4' energy: -43.333
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1109.121385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.121385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.121385 (E_RNA)
where:
Base-Base interactions energy: -791.412
where: short stacking energy: -348.826
Base-Backbone interact. energy: 1.536
local terms energy: -319.245708
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -52.709
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: -91.455
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: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1052.803199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.803199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.803199 (E_RNA)
where:
Base-Base interactions energy: -738.521
where: short stacking energy: -317.911
Base-Backbone interact. energy: -3.416
local terms energy: -310.865809
where:
bonds (distance) C4'-P energy: -58.491
bonds (distance) P-C4' energy: -63.573
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -34.023
tors. eta vs tors. theta energy: -90.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -996.858017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.858017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.858017 (E_RNA)
where:
Base-Base interactions energy: -692.924
where: short stacking energy: -290.906
Base-Backbone interact. energy: -1.965
local terms energy: -301.969333
where:
bonds (distance) C4'-P energy: -60.661
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -66.046
flat angles P-C4'-P energy: -39.399
tors. eta vs tors. theta energy: -87.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1004.207851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.207851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.207851 (E_RNA)
where:
Base-Base interactions energy: -676.214
where: short stacking energy: -315.886
Base-Backbone interact. energy: -0.119
local terms energy: -327.874330
where:
bonds (distance) C4'-P energy: -63.019
bonds (distance) P-C4' energy: -54.368
flat angles C4'-P-C4' energy: -72.398
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -95.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -896.273895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.273895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.273895 (E_RNA)
where:
Base-Base interactions energy: -633.348
where: short stacking energy: -270.815
Base-Backbone interact. energy: 2.259
local terms energy: -265.184686
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -55.392
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -66.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -834.337640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.337640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.337640 (E_RNA)
where:
Base-Base interactions energy: -588.917
where: short stacking energy: -211.462
Base-Backbone interact. energy: 0.888
local terms energy: -246.308235
where:
bonds (distance) C4'-P energy: -52.716
bonds (distance) P-C4' energy: -56.445
flat angles C4'-P-C4' energy: -45.480
flat angles P-C4'-P energy: -36.835
tors. eta vs tors. theta energy: -54.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -747.829109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.829109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.829109 (E_RNA)
where:
Base-Base interactions energy: -484.211
where: short stacking energy: -223.351
Base-Backbone interact. energy: -0.958
local terms energy: -262.660028
where:
bonds (distance) C4'-P energy: -52.249
bonds (distance) P-C4' energy: -66.987
flat angles C4'-P-C4' energy: -54.586
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -51.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -703.939136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.939136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.939136 (E_RNA)
where:
Base-Base interactions energy: -459.408
where: short stacking energy: -221.997
Base-Backbone interact. energy: 3.660
local terms energy: -248.191271
where:
bonds (distance) C4'-P energy: -63.097
bonds (distance) P-C4' energy: -54.722
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -50.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -649.767479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.767479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.767479 (E_RNA)
where:
Base-Base interactions energy: -426.373
where: short stacking energy: -197.391
Base-Backbone interact. energy: -1.640
local terms energy: -221.754296
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -38.230
flat angles C4'-P-C4' energy: -55.058
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -43.342
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: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -464.458548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.458548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.458548 (E_RNA)
where:
Base-Base interactions energy: -267.926
where: short stacking energy: -130.589
Base-Backbone interact. energy: 0.630
local terms energy: -197.163106
where:
bonds (distance) C4'-P energy: -36.049
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1078.027533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.027533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.027533 (E_RNA)
where:
Base-Base interactions energy: -755.387
where: short stacking energy: -332.593
Base-Backbone interact. energy: -2.995
local terms energy: -319.645459
where:
bonds (distance) C4'-P energy: -58.458
bonds (distance) P-C4' energy: -59.040
flat angles C4'-P-C4' energy: -68.426
flat angles P-C4'-P energy: -44.889
tors. eta vs tors. theta energy: -88.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1056.377742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.377742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.377742 (E_RNA)
where:
Base-Base interactions energy: -728.961
where: short stacking energy: -307.107
Base-Backbone interact. energy: -1.955
local terms energy: -325.461463
where:
bonds (distance) C4'-P energy: -58.510
bonds (distance) P-C4' energy: -65.444
flat angles C4'-P-C4' energy: -64.208
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -91.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1015.550572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.550572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.550572 (E_RNA)
where:
Base-Base interactions energy: -693.099
where: short stacking energy: -306.871
Base-Backbone interact. energy: 0.177
local terms energy: -322.628664
where:
bonds (distance) C4'-P energy: -58.100
bonds (distance) P-C4' energy: -64.686
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -46.309
tors. eta vs tors. theta energy: -88.552
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: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -975.868850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.868850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.868850 (E_RNA)
where:
Base-Base interactions energy: -659.202
where: short stacking energy: -287.974
Base-Backbone interact. energy: -0.601
local terms energy: -316.065952
where:
bonds (distance) C4'-P energy: -58.152
bonds (distance) P-C4' energy: -60.361
flat angles C4'-P-C4' energy: -67.417
flat angles P-C4'-P energy: -43.031
tors. eta vs tors. theta energy: -87.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -885.650894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.650894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.650894 (E_RNA)
where:
Base-Base interactions energy: -610.608
where: short stacking energy: -261.143
Base-Backbone interact. energy: -0.740
local terms energy: -274.302423
where:
bonds (distance) C4'-P energy: -48.787
bonds (distance) P-C4' energy: -58.864
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -67.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -823.508943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.508943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.508943 (E_RNA)
where:
Base-Base interactions energy: -565.131
where: short stacking energy: -236.648
Base-Backbone interact. energy: -1.082
local terms energy: -257.295169
where:
bonds (distance) C4'-P energy: -55.281
bonds (distance) P-C4' energy: -51.359
flat angles C4'-P-C4' energy: -55.672
flat angles P-C4'-P energy: -42.287
tors. eta vs tors. theta energy: -52.696
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: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -773.408858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.408858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.408858 (E_RNA)
where:
Base-Base interactions energy: -529.165
where: short stacking energy: -238.918
Base-Backbone interact. energy: 4.694
local terms energy: -248.938753
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -57.335
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: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -668.800293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.800293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.800293 (E_RNA)
where:
Base-Base interactions energy: -419.872
where: short stacking energy: -192.690
Base-Backbone interact. energy: -1.887
local terms energy: -247.040904
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -59.620
flat angles C4'-P-C4' energy: -62.170
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -33.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -640.977145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.977145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.977145 (E_RNA)
where:
Base-Base interactions energy: -415.490
where: short stacking energy: -180.588
Base-Backbone interact. energy: -0.866
local terms energy: -224.621821
where:
bonds (distance) C4'-P energy: -53.139
bonds (distance) P-C4' energy: -49.436
flat angles C4'-P-C4' energy: -44.606
flat angles P-C4'-P energy: -43.670
tors. eta vs tors. theta energy: -33.771
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: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -448.308672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.308672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.308672 (E_RNA)
where:
Base-Base interactions energy: -264.985
where: short stacking energy: -113.603
Base-Backbone interact. energy: -0.028
local terms energy: -183.295488
where:
bonds (distance) C4'-P energy: -47.683
bonds (distance) P-C4' energy: -43.014
flat angles C4'-P-C4' energy: -51.263
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1091.824147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.824147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.824147 (E_RNA)
where:
Base-Base interactions energy: -759.959
where: short stacking energy: -325.697
Base-Backbone interact. energy: -2.892
local terms energy: -328.973319
where:
bonds (distance) C4'-P energy: -58.704
bonds (distance) P-C4' energy: -64.388
flat angles C4'-P-C4' energy: -63.346
flat angles P-C4'-P energy: -50.164
tors. eta vs tors. theta energy: -92.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1059.258263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.258263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.258263 (E_RNA)
where:
Base-Base interactions energy: -739.928
where: short stacking energy: -313.414
Base-Backbone interact. energy: -5.932
local terms energy: -313.398529
where:
bonds (distance) C4'-P energy: -64.926
bonds (distance) P-C4' energy: -56.805
flat angles C4'-P-C4' energy: -62.188
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -80.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1011.983450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.983450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.983450 (E_RNA)
where:
Base-Base interactions energy: -697.057
where: short stacking energy: -327.048
Base-Backbone interact. energy: -0.590
local terms energy: -314.336756
where:
bonds (distance) C4'-P energy: -53.405
bonds (distance) P-C4' energy: -51.490
flat angles C4'-P-C4' energy: -62.250
flat angles P-C4'-P energy: -53.622
tors. eta vs tors. theta energy: -93.570
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: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -987.844641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.844641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.844641 (E_RNA)
where:
Base-Base interactions energy: -696.603
where: short stacking energy: -300.487
Base-Backbone interact. energy: -1.863
local terms energy: -289.379048
where:
bonds (distance) C4'-P energy: -40.054
bonds (distance) P-C4' energy: -66.580
flat angles C4'-P-C4' energy: -65.855
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -83.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -892.569317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.569317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.569317 (E_RNA)
where:
Base-Base interactions energy: -637.848
where: short stacking energy: -264.968
Base-Backbone interact. energy: -0.088
local terms energy: -254.633385
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -46.318
flat angles C4'-P-C4' energy: -43.960
flat angles P-C4'-P energy: -43.475
tors. eta vs tors. theta energy: -58.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -821.112978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.112978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.112978 (E_RNA)
where:
Base-Base interactions energy: -562.872
where: short stacking energy: -231.221
Base-Backbone interact. energy: -3.161
local terms energy: -255.080198
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -64.398
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: -50.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -754.947695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.947695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.947695 (E_RNA)
where:
Base-Base interactions energy: -499.322
where: short stacking energy: -219.277
Base-Backbone interact. energy: 0.722
local terms energy: -256.348211
where:
bonds (distance) C4'-P energy: -53.616
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -62.138
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -633.327094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.327094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.327094 (E_RNA)
where:
Base-Base interactions energy: -405.369
where: short stacking energy: -179.325
Base-Backbone interact. energy: 0.215
local terms energy: -228.172386
where:
bonds (distance) C4'-P energy: -56.191
bonds (distance) P-C4' energy: -58.734
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -31.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -631.928735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.928735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.928735 (E_RNA)
where:
Base-Base interactions energy: -396.140
where: short stacking energy: -197.774
Base-Backbone interact. energy: 2.989
local terms energy: -238.777133
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -49.917
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -36.160
tors. eta vs tors. theta energy: -48.610
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: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -464.619393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.619393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.619393 (E_RNA)
where:
Base-Base interactions energy: -283.914
where: short stacking energy: -141.792
Base-Backbone interact. energy: 1.032
local terms energy: -181.736540
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -40.393
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1075.023371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.023371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.023371 (E_RNA)
where:
Base-Base interactions energy: -743.735
where: short stacking energy: -333.794
Base-Backbone interact. energy: -2.206
local terms energy: -329.082827
where:
bonds (distance) C4'-P energy: -56.204
bonds (distance) P-C4' energy: -64.861
flat angles C4'-P-C4' energy: -71.554
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -92.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1061.944609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.944609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.944609 (E_RNA)
where:
Base-Base interactions energy: -743.105
where: short stacking energy: -310.220
Base-Backbone interact. energy: -2.128
local terms energy: -316.711552
where:
bonds (distance) C4'-P energy: -56.729
bonds (distance) P-C4' energy: -60.914
flat angles C4'-P-C4' energy: -71.836
flat angles P-C4'-P energy: -39.489
tors. eta vs tors. theta energy: -87.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1017.009755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.009755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.009755 (E_RNA)
where:
Base-Base interactions energy: -693.441
where: short stacking energy: -300.209
Base-Backbone interact. energy: -0.465
local terms energy: -323.104083
where:
bonds (distance) C4'-P energy: -66.061
bonds (distance) P-C4' energy: -59.287
flat angles C4'-P-C4' energy: -67.409
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: -79.965
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: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -962.647174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.647174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.647174 (E_RNA)
where:
Base-Base interactions energy: -658.186
where: short stacking energy: -276.880
Base-Backbone interact. energy: -1.228
local terms energy: -303.233061
where:
bonds (distance) C4'-P energy: -62.757
bonds (distance) P-C4' energy: -50.876
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -80.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -904.407967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.407967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.407967 (E_RNA)
where:
Base-Base interactions energy: -627.789
where: short stacking energy: -276.419
Base-Backbone interact. energy: -1.487
local terms energy: -275.132261
where:
bonds (distance) C4'-P energy: -50.360
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -58.681
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: -71.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -820.006026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.006026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.006026 (E_RNA)
where:
Base-Base interactions energy: -543.495
where: short stacking energy: -233.538
Base-Backbone interact. energy: 2.391
local terms energy: -278.901705
where:
bonds (distance) C4'-P energy: -62.625
bonds (distance) P-C4' energy: -68.662
flat angles C4'-P-C4' energy: -53.689
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -58.643
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: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -726.458511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.458511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.458511 (E_RNA)
where:
Base-Base interactions energy: -487.655
where: short stacking energy: -221.983
Base-Backbone interact. energy: -0.366
local terms energy: -238.437924
where:
bonds (distance) C4'-P energy: -50.766
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -53.933
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -49.465
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: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -582.074506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.074506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.074506 (E_RNA)
where:
Base-Base interactions energy: -358.061
where: short stacking energy: -183.667
Base-Backbone interact. energy: 0.062
local terms energy: -224.075488
where:
bonds (distance) C4'-P energy: -34.038
bonds (distance) P-C4' energy: -62.290
flat angles C4'-P-C4' energy: -50.590
flat angles P-C4'-P energy: -36.497
tors. eta vs tors. theta energy: -40.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -590.191396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.191396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.191396 (E_RNA)
where:
Base-Base interactions energy: -376.330
where: short stacking energy: -177.186
Base-Backbone interact. energy: -0.307
local terms energy: -213.554980
where:
bonds (distance) C4'-P energy: -46.576
bonds (distance) P-C4' energy: -45.637
flat angles C4'-P-C4' energy: -55.112
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -40.288
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: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -479.858272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.858272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.858272 (E_RNA)
where:
Base-Base interactions energy: -284.420
where: short stacking energy: -142.861
Base-Backbone interact. energy: -0.620
local terms energy: -194.818792
where:
bonds (distance) C4'-P energy: -41.737
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1091.179740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.179740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.179740 (E_RNA)
where:
Base-Base interactions energy: -760.922
where: short stacking energy: -336.070
Base-Backbone interact. energy: -1.827
local terms energy: -328.431291
where:
bonds (distance) C4'-P energy: -61.711
bonds (distance) P-C4' energy: -63.062
flat angles C4'-P-C4' energy: -69.519
flat angles P-C4'-P energy: -39.808
tors. eta vs tors. theta energy: -94.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1069.116022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.116022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.116022 (E_RNA)
where:
Base-Base interactions energy: -754.761
where: short stacking energy: -317.524
Base-Backbone interact. energy: -0.819
local terms energy: -313.536320
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -52.704
flat angles C4'-P-C4' energy: -73.087
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -90.727
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: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1029.304778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.304778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.304778 (E_RNA)
where:
Base-Base interactions energy: -706.694
where: short stacking energy: -322.071
Base-Backbone interact. energy: 1.984
local terms energy: -324.594166
where:
bonds (distance) C4'-P energy: -56.590
bonds (distance) P-C4' energy: -61.567
flat angles C4'-P-C4' energy: -71.202
flat angles P-C4'-P energy: -47.692
tors. eta vs tors. theta energy: -87.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -964.185286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.185286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.185286 (E_RNA)
where:
Base-Base interactions energy: -668.197
where: short stacking energy: -273.106
Base-Backbone interact. energy: -1.563
local terms energy: -294.424659
where:
bonds (distance) C4'-P energy: -48.001
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -69.701
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -80.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -931.215921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.215921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.215921 (E_RNA)
where:
Base-Base interactions energy: -663.280
where: short stacking energy: -267.756
Base-Backbone interact. energy: -1.078
local terms energy: -266.857674
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -63.938
flat angles P-C4'-P energy: -38.711
tors. eta vs tors. theta energy: -59.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -805.582820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.582820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.582820 (E_RNA)
where:
Base-Base interactions energy: -549.865
where: short stacking energy: -228.023
Base-Backbone interact. energy: 1.495
local terms energy: -257.212162
where:
bonds (distance) C4'-P energy: -51.204
bonds (distance) P-C4' energy: -55.928
flat angles C4'-P-C4' energy: -61.090
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -50.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -718.761387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.761387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.761387 (E_RNA)
where:
Base-Base interactions energy: -471.183
where: short stacking energy: -215.918
Base-Backbone interact. energy: -1.555
local terms energy: -246.023909
where:
bonds (distance) C4'-P energy: -57.517
bonds (distance) P-C4' energy: -58.053
flat angles C4'-P-C4' energy: -51.985
flat angles P-C4'-P energy: -36.177
tors. eta vs tors. theta energy: -42.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -614.900914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.900914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.900914 (E_RNA)
where:
Base-Base interactions energy: -396.246
where: short stacking energy: -162.387
Base-Backbone interact. energy: -1.079
local terms energy: -217.575656
where:
bonds (distance) C4'-P energy: -51.562
bonds (distance) P-C4' energy: -49.547
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -30.868
tors. eta vs tors. theta energy: -27.465
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: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -595.555918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.555918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.555918 (E_RNA)
where:
Base-Base interactions energy: -372.442
where: short stacking energy: -168.892
Base-Backbone interact. energy: -0.616
local terms energy: -222.498095
where:
bonds (distance) C4'-P energy: -53.639
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -52.011
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -28.905
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: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -441.693719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.693719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.693719 (E_RNA)
where:
Base-Base interactions energy: -236.885
where: short stacking energy: -131.244
Base-Backbone interact. energy: 1.089
local terms energy: -205.897362
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -58.948
flat angles C4'-P-C4' energy: -46.644
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -22.883
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: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1098.437807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.437807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.437807 (E_RNA)
where:
Base-Base interactions energy: -771.165
where: short stacking energy: -341.418
Base-Backbone interact. energy: -1.012
local terms energy: -326.260833
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -67.863
flat angles C4'-P-C4' energy: -64.503
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -92.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1051.311822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.311822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.311822 (E_RNA)
where:
Base-Base interactions energy: -717.729
where: short stacking energy: -328.656
Base-Backbone interact. energy: -3.120
local terms energy: -330.463043
where:
bonds (distance) C4'-P energy: -57.936
bonds (distance) P-C4' energy: -58.754
flat angles C4'-P-C4' energy: -72.374
flat angles P-C4'-P energy: -48.635
tors. eta vs tors. theta energy: -92.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1012.202058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.202058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.202058 (E_RNA)
where:
Base-Base interactions energy: -699.850
where: short stacking energy: -316.845
Base-Backbone interact. energy: -0.892
local terms energy: -311.460365
where:
bonds (distance) C4'-P energy: -45.331
bonds (distance) P-C4' energy: -64.492
flat angles C4'-P-C4' energy: -63.361
flat angles P-C4'-P energy: -44.699
tors. eta vs tors. theta energy: -93.577
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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -955.744410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.744410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.744410 (E_RNA)
where:
Base-Base interactions energy: -671.183
where: short stacking energy: -261.546
Base-Backbone interact. energy: -0.670
local terms energy: -283.892040
where:
bonds (distance) C4'-P energy: -48.556
bonds (distance) P-C4' energy: -56.326
flat angles C4'-P-C4' energy: -62.603
flat angles P-C4'-P energy: -45.261
tors. eta vs tors. theta energy: -71.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -896.841627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.841627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.841627 (E_RNA)
where:
Base-Base interactions energy: -617.390
where: short stacking energy: -262.099
Base-Backbone interact. energy: -0.528
local terms energy: -278.923265
where:
bonds (distance) C4'-P energy: -57.266
bonds (distance) P-C4' energy: -54.355
flat angles C4'-P-C4' energy: -64.712
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -62.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -815.246853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.246853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.246853 (E_RNA)
where:
Base-Base interactions energy: -558.730
where: short stacking energy: -225.048
Base-Backbone interact. energy: -2.733
local terms energy: -253.783017
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -46.184
flat angles C4'-P-C4' energy: -58.530
flat angles P-C4'-P energy: -40.876
tors. eta vs tors. theta energy: -56.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -754.454854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.454854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.454854 (E_RNA)
where:
Base-Base interactions energy: -480.075
where: short stacking energy: -224.615
Base-Backbone interact. energy: -1.613
local terms energy: -272.767213
where:
bonds (distance) C4'-P energy: -60.310
bonds (distance) P-C4' energy: -56.798
flat angles C4'-P-C4' energy: -66.831
flat angles P-C4'-P energy: -33.107
tors. eta vs tors. theta energy: -55.721
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: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -642.154859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.154859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.154859 (E_RNA)
where:
Base-Base interactions energy: -423.983
where: short stacking energy: -201.680
Base-Backbone interact. energy: -1.302
local terms energy: -216.870349
where:
bonds (distance) C4'-P energy: -49.929
bonds (distance) P-C4' energy: -58.546
flat angles C4'-P-C4' energy: -48.810
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -30.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -576.685285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.685285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.685285 (E_RNA)
where:
Base-Base interactions energy: -362.731
where: short stacking energy: -175.478
Base-Backbone interact. energy: -1.615
local terms energy: -212.340065
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -50.881
flat angles C4'-P-C4' energy: -53.607
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -442.980110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.980110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.980110 (E_RNA)
where:
Base-Base interactions energy: -277.661
where: short stacking energy: -146.610
Base-Backbone interact. energy: -0.454
local terms energy: -164.864848
where:
bonds (distance) C4'-P energy: -36.301
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -45.938
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -23.870
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: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1073.078722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.078722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.078722 (E_RNA)
where:
Base-Base interactions energy: -748.961
where: short stacking energy: -324.240
Base-Backbone interact. energy: 1.143
local terms energy: -325.260802
where:
bonds (distance) C4'-P energy: -61.683
bonds (distance) P-C4' energy: -61.274
flat angles C4'-P-C4' energy: -65.558
flat angles P-C4'-P energy: -44.669
tors. eta vs tors. theta energy: -92.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1052.022054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.022054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.022054 (E_RNA)
where:
Base-Base interactions energy: -719.405
where: short stacking energy: -328.236
Base-Backbone interact. energy: -2.832
local terms energy: -329.785102
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -55.859
flat angles C4'-P-C4' energy: -67.994
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -91.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1031.936853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.936853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.936853 (E_RNA)
where:
Base-Base interactions energy: -711.059
where: short stacking energy: -341.907
Base-Backbone interact. energy: -1.980
local terms energy: -318.897976
where:
bonds (distance) C4'-P energy: -57.144
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -69.472
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -91.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -953.387373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.387373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.387373 (E_RNA)
where:
Base-Base interactions energy: -663.386
where: short stacking energy: -268.658
Base-Backbone interact. energy: 0.450
local terms energy: -290.450941
where:
bonds (distance) C4'-P energy: -59.867
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -65.681
flat angles P-C4'-P energy: -35.134
tors. eta vs tors. theta energy: -71.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -902.728136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.728136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.728136 (E_RNA)
where:
Base-Base interactions energy: -633.700
where: short stacking energy: -252.459
Base-Backbone interact. energy: -0.779
local terms energy: -268.249380
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -44.379
flat angles C4'-P-C4' energy: -70.233
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -62.977
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: 109
Temperature: 1.150000
Total energy: -783.592566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.592566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.592566 (E_RNA)
where:
Base-Base interactions energy: -550.403
where: short stacking energy: -225.606
Base-Backbone interact. energy: 0.012
local terms energy: -233.201517
where:
bonds (distance) C4'-P energy: -38.792
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -52.488
flat angles P-C4'-P energy: -31.328
tors. eta vs tors. theta energy: -50.730
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: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -785.912274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.912274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.912274 (E_RNA)
where:
Base-Base interactions energy: -537.320
where: short stacking energy: -246.336
Base-Backbone interact. energy: -1.002
local terms energy: -247.590706
where:
bonds (distance) C4'-P energy: -54.058
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -59.498
flat angles P-C4'-P energy: -33.305
tors. eta vs tors. theta energy: -63.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -684.084665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.084665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.084665 (E_RNA)
where:
Base-Base interactions energy: -462.186
where: short stacking energy: -199.575
Base-Backbone interact. energy: 4.819
local terms energy: -226.718257
where:
bonds (distance) C4'-P energy: -40.519
bonds (distance) P-C4' energy: -44.345
flat angles C4'-P-C4' energy: -58.957
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -43.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -534.528866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.528866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.528866 (E_RNA)
where:
Base-Base interactions energy: -331.196
where: short stacking energy: -142.600
Base-Backbone interact. energy: -0.411
local terms energy: -202.922080
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -52.797
flat angles C4'-P-C4' energy: -55.039
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -16.724
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: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -421.474578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.474578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.474578 (E_RNA)
where:
Base-Base interactions energy: -238.639
where: short stacking energy: -132.933
Base-Backbone interact. energy: -1.320
local terms energy: -181.514627
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -50.657
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -18.123
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: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1083.660070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.660070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.660070 (E_RNA)
where:
Base-Base interactions energy: -745.603
where: short stacking energy: -322.865
Base-Backbone interact. energy: -1.183
local terms energy: -336.874049
where:
bonds (distance) C4'-P energy: -62.208
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -70.505
flat angles P-C4'-P energy: -53.758
tors. eta vs tors. theta energy: -85.687
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: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1054.853954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.853954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.853954 (E_RNA)
where:
Base-Base interactions energy: -752.092
where: short stacking energy: -339.289
Base-Backbone interact. energy: 5.127
local terms energy: -307.889693
where:
bonds (distance) C4'-P energy: -55.182
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -71.085
flat angles P-C4'-P energy: -36.634
tors. eta vs tors. theta energy: -91.586
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: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1040.351785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.351785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.351785 (E_RNA)
where:
Base-Base interactions energy: -708.846
where: short stacking energy: -321.690
Base-Backbone interact. energy: -0.145
local terms energy: -331.360712
where:
bonds (distance) C4'-P energy: -61.562
bonds (distance) P-C4' energy: -54.417
flat angles C4'-P-C4' energy: -68.583
flat angles P-C4'-P energy: -48.998
tors. eta vs tors. theta energy: -97.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -934.333508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.333508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.333508 (E_RNA)
where:
Base-Base interactions energy: -637.565
where: short stacking energy: -270.955
Base-Backbone interact. energy: -0.951
local terms energy: -295.817813
where:
bonds (distance) C4'-P energy: -67.089
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -64.254
flat angles P-C4'-P energy: -36.036
tors. eta vs tors. theta energy: -77.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -916.292200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.292200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.292200 (E_RNA)
where:
Base-Base interactions energy: -640.573
where: short stacking energy: -295.559
Base-Backbone interact. energy: -2.335
local terms energy: -273.384739
where:
bonds (distance) C4'-P energy: -55.181
bonds (distance) P-C4' energy: -58.025
flat angles C4'-P-C4' energy: -52.651
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -70.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -788.536875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.536875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.536875 (E_RNA)
where:
Base-Base interactions energy: -536.255
where: short stacking energy: -247.160
Base-Backbone interact. energy: -1.368
local terms energy: -250.914509
where:
bonds (distance) C4'-P energy: -49.621
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -38.144
tors. eta vs tors. theta energy: -50.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -760.991498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.991498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.991498 (E_RNA)
where:
Base-Base interactions energy: -503.050
where: short stacking energy: -226.916
Base-Backbone interact. energy: -2.014
local terms energy: -255.927375
where:
bonds (distance) C4'-P energy: -47.558
bonds (distance) P-C4' energy: -61.917
flat angles C4'-P-C4' energy: -58.656
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -49.736
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: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -747.932270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.932270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.932270 (E_RNA)
where:
Base-Base interactions energy: -498.875
where: short stacking energy: -204.506
Base-Backbone interact. energy: -0.896
local terms energy: -248.161480
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -56.922
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: -46.718
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: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -508.028084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.028084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.028084 (E_RNA)
where:
Base-Base interactions energy: -328.319
where: short stacking energy: -164.929
Base-Backbone interact. energy: 6.206
local terms energy: -185.914473
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -34.591
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -42.617
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -436.606484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.606484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.606484 (E_RNA)
where:
Base-Base interactions energy: -249.654
where: short stacking energy: -124.195
Base-Backbone interact. energy: -1.306
local terms energy: -185.645943
where:
bonds (distance) C4'-P energy: -55.349
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -13.932
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: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1094.626328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.626328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.626328 (E_RNA)
where:
Base-Base interactions energy: -777.940
where: short stacking energy: -337.199
Base-Backbone interact. energy: 1.323
local terms energy: -318.009436
where:
bonds (distance) C4'-P energy: -56.678
bonds (distance) P-C4' energy: -49.482
flat angles C4'-P-C4' energy: -70.368
flat angles P-C4'-P energy: -50.621
tors. eta vs tors. theta energy: -90.861
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: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1062.844773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.844773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.844773 (E_RNA)
where:
Base-Base interactions energy: -725.448
where: short stacking energy: -335.826
Base-Backbone interact. energy: -1.260
local terms energy: -336.137197
where:
bonds (distance) C4'-P energy: -57.611
bonds (distance) P-C4' energy: -62.589
flat angles C4'-P-C4' energy: -74.030
flat angles P-C4'-P energy: -46.814
tors. eta vs tors. theta energy: -95.093
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: 111
Temperature: 1.000000
Total energy: -1043.163834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.163834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.163834 (E_RNA)
where:
Base-Base interactions energy: -730.281
where: short stacking energy: -323.733
Base-Backbone interact. energy: 3.427
local terms energy: -316.310162
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -66.792
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -40.785
tors. eta vs tors. theta energy: -84.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -956.731350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.731350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.731350 (E_RNA)
where:
Base-Base interactions energy: -674.397
where: short stacking energy: -272.907
Base-Backbone interact. energy: 0.221
local terms energy: -282.554704
where:
bonds (distance) C4'-P energy: -52.826
bonds (distance) P-C4' energy: -55.768
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -31.334
tors. eta vs tors. theta energy: -75.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -893.558598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.558598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.558598 (E_RNA)
where:
Base-Base interactions energy: -640.731
where: short stacking energy: -265.875
Base-Backbone interact. energy: 1.036
local terms energy: -253.863281
where:
bonds (distance) C4'-P energy: -44.833
bonds (distance) P-C4' energy: -55.252
flat angles C4'-P-C4' energy: -53.694
flat angles P-C4'-P energy: -38.622
tors. eta vs tors. theta energy: -61.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -779.252225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.252225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.252225 (E_RNA)
where:
Base-Base interactions energy: -523.263
where: short stacking energy: -246.326
Base-Backbone interact. energy: 0.828
local terms energy: -256.816973
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -53.185
flat angles P-C4'-P energy: -41.998
tors. eta vs tors. theta energy: -69.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -757.556962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.556962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.556962 (E_RNA)
where:
Base-Base interactions energy: -513.806
where: short stacking energy: -226.947
Base-Backbone interact. energy: -2.494
local terms energy: -241.256767
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -56.048
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -48.205
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -729.503981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.503981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.503981 (E_RNA)
where:
Base-Base interactions energy: -506.867
where: short stacking energy: -216.970
Base-Backbone interact. energy: -0.821
local terms energy: -221.815695
where:
bonds (distance) C4'-P energy: -47.102
bonds (distance) P-C4' energy: -52.126
flat angles C4'-P-C4' energy: -46.997
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -42.743
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: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -521.914662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.914662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.914662 (E_RNA)
where:
Base-Base interactions energy: -318.453
where: short stacking energy: -147.853
Base-Backbone interact. energy: -0.121
local terms energy: -203.340865
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -56.900
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -32.310
tors. eta vs tors. theta energy: -16.826
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: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -343.709332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.709332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.709332 (E_RNA)
where:
Base-Base interactions energy: -174.474
where: short stacking energy: -105.034
Base-Backbone interact. energy: 2.914
local terms energy: -172.150020
where:
bonds (distance) C4'-P energy: -50.155
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -29.377
tors. eta vs tors. theta energy: -3.406
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: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1084.220329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.220329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.220329 (E_RNA)
where:
Base-Base interactions energy: -758.429
where: short stacking energy: -312.116
Base-Backbone interact. energy: -0.914
local terms energy: -324.877502
where:
bonds (distance) C4'-P energy: -57.271
bonds (distance) P-C4' energy: -68.719
flat angles C4'-P-C4' energy: -63.008
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -90.466
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: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1048.824017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.824017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.824017 (E_RNA)
where:
Base-Base interactions energy: -719.162
where: short stacking energy: -326.021
Base-Backbone interact. energy: -1.335
local terms energy: -328.326199
where:
bonds (distance) C4'-P energy: -53.606
bonds (distance) P-C4' energy: -64.353
flat angles C4'-P-C4' energy: -70.784
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -92.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1032.986922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.986922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.986922 (E_RNA)
where:
Base-Base interactions energy: -737.601
where: short stacking energy: -329.517
Base-Backbone interact. energy: -1.518
local terms energy: -293.868585
where:
bonds (distance) C4'-P energy: -53.368
bonds (distance) P-C4' energy: -56.192
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -37.488
tors. eta vs tors. theta energy: -86.316
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: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -954.160604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.160604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.160604 (E_RNA)
where:
Base-Base interactions energy: -687.732
where: short stacking energy: -274.395
Base-Backbone interact. energy: -2.060
local terms energy: -264.368562
where:
bonds (distance) C4'-P energy: -42.093
bonds (distance) P-C4' energy: -58.838
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -38.981
tors. eta vs tors. theta energy: -67.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -918.370387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.370387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.370387 (E_RNA)
where:
Base-Base interactions energy: -648.580
where: short stacking energy: -271.207
Base-Backbone interact. energy: -3.196
local terms energy: -266.594982
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -54.334
flat angles C4'-P-C4' energy: -62.448
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: -64.496
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: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -794.888315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.888315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.888315 (E_RNA)
where:
Base-Base interactions energy: -533.618
where: short stacking energy: -238.594
Base-Backbone interact. energy: -2.011
local terms energy: -259.259325
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -53.522
flat angles P-C4'-P energy: -43.899
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: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -750.389846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.389846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.389846 (E_RNA)
where:
Base-Base interactions energy: -519.125
where: short stacking energy: -216.874
Base-Backbone interact. energy: -0.321
local terms energy: -230.943415
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -52.101
flat angles C4'-P-C4' energy: -54.576
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -45.869
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: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -689.706333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.706333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.706333 (E_RNA)
where:
Base-Base interactions energy: -459.082
where: short stacking energy: -211.273
Base-Backbone interact. energy: -0.419
local terms energy: -230.204734
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -46.408
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -42.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -529.681916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.681916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.681916 (E_RNA)
where:
Base-Base interactions energy: -329.211
where: short stacking energy: -158.551
Base-Backbone interact. energy: 3.751
local terms energy: -204.222799
where:
bonds (distance) C4'-P energy: -47.110
bonds (distance) P-C4' energy: -52.473
flat angles C4'-P-C4' energy: -46.776
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -330.649852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.649852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.649852 (E_RNA)
where:
Base-Base interactions energy: -155.427
where: short stacking energy: -100.715
Base-Backbone interact. energy: -0.614
local terms energy: -174.608833
where:
bonds (distance) C4'-P energy: -49.634
bonds (distance) P-C4' energy: -51.645
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1069.255123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.255123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.255123 (E_RNA)
where:
Base-Base interactions energy: -735.104
where: short stacking energy: -320.927
Base-Backbone interact. energy: -1.722
local terms energy: -332.429452
where:
bonds (distance) C4'-P energy: -63.076
bonds (distance) P-C4' energy: -65.012
flat angles C4'-P-C4' energy: -69.793
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -88.266
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: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1056.416078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.416078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.416078 (E_RNA)
where:
Base-Base interactions energy: -724.866
where: short stacking energy: -321.629
Base-Backbone interact. energy: -1.446
local terms energy: -330.104074
where:
bonds (distance) C4'-P energy: -64.022
bonds (distance) P-C4' energy: -64.244
flat angles C4'-P-C4' energy: -70.383
flat angles P-C4'-P energy: -44.933
tors. eta vs tors. theta energy: -86.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1032.397180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.397180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.397180 (E_RNA)
where:
Base-Base interactions energy: -717.520
where: short stacking energy: -313.069
Base-Backbone interact. energy: -0.739
local terms energy: -314.137725
where:
bonds (distance) C4'-P energy: -59.106
bonds (distance) P-C4' energy: -52.898
flat angles C4'-P-C4' energy: -69.378
flat angles P-C4'-P energy: -45.147
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -951.691428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.691428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.691428 (E_RNA)
where:
Base-Base interactions energy: -669.432
where: short stacking energy: -278.170
Base-Backbone interact. energy: -0.426
local terms energy: -281.833647
where:
bonds (distance) C4'-P energy: -56.941
bonds (distance) P-C4' energy: -56.734
flat angles C4'-P-C4' energy: -59.330
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: -80.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -926.076155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.076155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.076155 (E_RNA)
where:
Base-Base interactions energy: -641.131
where: short stacking energy: -274.747
Base-Backbone interact. energy: -0.801
local terms energy: -284.144208
where:
bonds (distance) C4'-P energy: -58.614
bonds (distance) P-C4' energy: -56.553
flat angles C4'-P-C4' energy: -62.687
flat angles P-C4'-P energy: -46.312
tors. eta vs tors. theta energy: -59.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -815.344121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.344121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.344121 (E_RNA)
where:
Base-Base interactions energy: -559.210
where: short stacking energy: -248.702
Base-Backbone interact. energy: -2.461
local terms energy: -253.673696
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -59.876
flat angles C4'-P-C4' energy: -49.987
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -58.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -782.975083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.975083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.975083 (E_RNA)
where:
Base-Base interactions energy: -535.839
where: short stacking energy: -250.712
Base-Backbone interact. energy: -0.072
local terms energy: -247.063825
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -41.226
flat angles C4'-P-C4' energy: -62.358
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -60.557
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: 113
Temperature: 1.250000
Total energy: -706.765072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.765072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.765072 (E_RNA)
where:
Base-Base interactions energy: -472.287
where: short stacking energy: -197.498
Base-Backbone interact. energy: -1.292
local terms energy: -233.186791
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -52.534
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -49.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -541.309709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.309709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.309709 (E_RNA)
where:
Base-Base interactions energy: -320.523
where: short stacking energy: -158.866
Base-Backbone interact. energy: -0.907
local terms energy: -219.878889
where:
bonds (distance) C4'-P energy: -54.071
bonds (distance) P-C4' energy: -56.355
flat angles C4'-P-C4' energy: -46.026
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -33.637
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: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -355.823837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.823837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.823837 (E_RNA)
where:
Base-Base interactions energy: -170.833
where: short stacking energy: -98.230
Base-Backbone interact. energy: -1.598
local terms energy: -183.392986
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -45.947
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -3.321
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: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1098.768633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.768633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.768633 (E_RNA)
where:
Base-Base interactions energy: -750.060
where: short stacking energy: -341.352
Base-Backbone interact. energy: -0.811
local terms energy: -347.897078
where:
bonds (distance) C4'-P energy: -61.883
bonds (distance) P-C4' energy: -63.536
flat angles C4'-P-C4' energy: -71.639
flat angles P-C4'-P energy: -53.685
tors. eta vs tors. theta energy: -97.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1030.568116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.568116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.568116 (E_RNA)
where:
Base-Base interactions energy: -734.188
where: short stacking energy: -305.648
Base-Backbone interact. energy: -1.080
local terms energy: -295.300220
where:
bonds (distance) C4'-P energy: -52.202
bonds (distance) P-C4' energy: -50.941
flat angles C4'-P-C4' energy: -63.488
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1021.538397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.538397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.538397 (E_RNA)
where:
Base-Base interactions energy: -702.820
where: short stacking energy: -316.271
Base-Backbone interact. energy: -0.325
local terms energy: -318.392580
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -57.186
flat angles C4'-P-C4' energy: -62.296
flat angles P-C4'-P energy: -44.272
tors. eta vs tors. theta energy: -98.152
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: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -959.985064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.985064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.985064 (E_RNA)
where:
Base-Base interactions energy: -666.864
where: short stacking energy: -279.619
Base-Backbone interact. energy: 0.130
local terms energy: -293.251004
where:
bonds (distance) C4'-P energy: -59.481
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -64.321
flat angles P-C4'-P energy: -37.051
tors. eta vs tors. theta energy: -76.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -898.590284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.590284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.590284 (E_RNA)
where:
Base-Base interactions energy: -633.970
where: short stacking energy: -267.613
Base-Backbone interact. energy: -1.076
local terms energy: -263.544817
where:
bonds (distance) C4'-P energy: -57.379
bonds (distance) P-C4' energy: -53.352
flat angles C4'-P-C4' energy: -50.272
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -66.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -810.409596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.409596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.409596 (E_RNA)
where:
Base-Base interactions energy: -543.520
where: short stacking energy: -238.192
Base-Backbone interact. energy: -2.026
local terms energy: -264.864036
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -57.662
flat angles C4'-P-C4' energy: -63.342
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -48.353
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: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -759.450104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.450104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.450104 (E_RNA)
where:
Base-Base interactions energy: -506.410
where: short stacking energy: -228.172
Base-Backbone interact. energy: -0.856
local terms energy: -252.184133
where:
bonds (distance) C4'-P energy: -34.944
bonds (distance) P-C4' energy: -57.345
flat angles C4'-P-C4' energy: -67.409
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -52.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -708.496932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.496932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.496932 (E_RNA)
where:
Base-Base interactions energy: -472.878
where: short stacking energy: -211.202
Base-Backbone interact. energy: 1.096
local terms energy: -236.715355
where:
bonds (distance) C4'-P energy: -63.391
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -30.820
tors. eta vs tors. theta energy: -49.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -526.345381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.345381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.345381 (E_RNA)
where:
Base-Base interactions energy: -327.312
where: short stacking energy: -159.720
Base-Backbone interact. energy: 14.010
local terms energy: -213.044307
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -55.202
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -26.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -346.982755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.982755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.982755 (E_RNA)
where:
Base-Base interactions energy: -165.571
where: short stacking energy: -108.074
Base-Backbone interact. energy: 0.178
local terms energy: -181.589844
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -50.488
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1069.077194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.077194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.077194 (E_RNA)
where:
Base-Base interactions energy: -748.911
where: short stacking energy: -334.442
Base-Backbone interact. energy: -1.795
local terms energy: -318.371132
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -57.533
flat angles C4'-P-C4' energy: -67.800
flat angles P-C4'-P energy: -46.527
tors. eta vs tors. theta energy: -87.442
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: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1045.973117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.973117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.973117 (E_RNA)
where:
Base-Base interactions energy: -718.261
where: short stacking energy: -318.007
Base-Backbone interact. energy: -1.231
local terms energy: -326.480872
where:
bonds (distance) C4'-P energy: -62.533
bonds (distance) P-C4' energy: -53.122
flat angles C4'-P-C4' energy: -72.972
flat angles P-C4'-P energy: -43.973
tors. eta vs tors. theta energy: -93.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1030.271580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.271580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.271580 (E_RNA)
where:
Base-Base interactions energy: -742.788
where: short stacking energy: -319.367
Base-Backbone interact. energy: -1.339
local terms energy: -286.144567
where:
bonds (distance) C4'-P energy: -47.953
bonds (distance) P-C4' energy: -51.409
flat angles C4'-P-C4' energy: -60.704
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: -87.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -965.562804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.562804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.562804 (E_RNA)
where:
Base-Base interactions energy: -683.590
where: short stacking energy: -274.615
Base-Backbone interact. energy: -0.555
local terms energy: -281.417910
where:
bonds (distance) C4'-P energy: -55.897
bonds (distance) P-C4' energy: -49.233
flat angles C4'-P-C4' energy: -61.952
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: -75.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -889.954909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.954909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.954909 (E_RNA)
where:
Base-Base interactions energy: -618.147
where: short stacking energy: -261.722
Base-Backbone interact. energy: -0.774
local terms energy: -271.033977
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -56.000
flat angles C4'-P-C4' energy: -55.439
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: -60.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -833.676139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.676139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.676139 (E_RNA)
where:
Base-Base interactions energy: -583.341
where: short stacking energy: -240.692
Base-Backbone interact. energy: 0.439
local terms energy: -250.774845
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: -53.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -748.158218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.158218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.158218 (E_RNA)
where:
Base-Base interactions energy: -501.629
where: short stacking energy: -226.717
Base-Backbone interact. energy: -0.304
local terms energy: -246.225241
where:
bonds (distance) C4'-P energy: -45.311
bonds (distance) P-C4' energy: -53.014
flat angles C4'-P-C4' energy: -59.241
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -49.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -712.893970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.893970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.893970 (E_RNA)
where:
Base-Base interactions energy: -503.974
where: short stacking energy: -213.448
Base-Backbone interact. energy: 0.319
local terms energy: -209.239197
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -46.379
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: -41.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -547.482925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.482925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.482925 (E_RNA)
where:
Base-Base interactions energy: -330.523
where: short stacking energy: -157.258
Base-Backbone interact. energy: 0.163
local terms energy: -217.123482
where:
bonds (distance) C4'-P energy: -52.494
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -46.534
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -335.334036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.334036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.334036 (E_RNA)
where:
Base-Base interactions energy: -154.873
where: short stacking energy: -95.127
Base-Backbone interact. energy: -2.511
local terms energy: -177.950275
where:
bonds (distance) C4'-P energy: -51.527
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -55.527
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1077.795248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.795248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.795248 (E_RNA)
where:
Base-Base interactions energy: -750.615
where: short stacking energy: -330.871
Base-Backbone interact. energy: 0.278
local terms energy: -327.459054
where:
bonds (distance) C4'-P energy: -53.227
bonds (distance) P-C4' energy: -63.957
flat angles C4'-P-C4' energy: -67.824
flat angles P-C4'-P energy: -47.861
tors. eta vs tors. theta energy: -94.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1065.778479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.778479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.778479 (E_RNA)
where:
Base-Base interactions energy: -725.388
where: short stacking energy: -328.195
Base-Backbone interact. energy: -0.627
local terms energy: -339.763634
where:
bonds (distance) C4'-P energy: -64.311
bonds (distance) P-C4' energy: -57.095
flat angles C4'-P-C4' energy: -73.622
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -93.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1035.054291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.054291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.054291 (E_RNA)
where:
Base-Base interactions energy: -723.209
where: short stacking energy: -296.182
Base-Backbone interact. energy: -0.622
local terms energy: -311.223145
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -57.309
flat angles C4'-P-C4' energy: -64.738
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: -81.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -950.584675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.584675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.584675 (E_RNA)
where:
Base-Base interactions energy: -651.977
where: short stacking energy: -264.177
Base-Backbone interact. energy: 0.699
local terms energy: -299.306736
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -62.620
flat angles P-C4'-P energy: -40.383
tors. eta vs tors. theta energy: -79.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -892.092648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.092648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.092648 (E_RNA)
where:
Base-Base interactions energy: -619.911
where: short stacking energy: -269.625
Base-Backbone interact. energy: 1.156
local terms energy: -273.337247
where:
bonds (distance) C4'-P energy: -59.750
bonds (distance) P-C4' energy: -52.875
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -57.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -832.780560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.780560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.780560 (E_RNA)
where:
Base-Base interactions energy: -561.767
where: short stacking energy: -235.655
Base-Backbone interact. energy: 0.633
local terms energy: -271.646841
where:
bonds (distance) C4'-P energy: -56.688
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -38.741
tors. eta vs tors. theta energy: -59.957
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: 116
Temperature: 1.200000
Total energy: -739.616808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.616808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.616808 (E_RNA)
where:
Base-Base interactions energy: -497.188
where: short stacking energy: -232.597
Base-Backbone interact. energy: -0.309
local terms energy: -242.119962
where:
bonds (distance) C4'-P energy: -34.759
bonds (distance) P-C4' energy: -61.538
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -34.791
tors. eta vs tors. theta energy: -57.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -659.949485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.949485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.949485 (E_RNA)
where:
Base-Base interactions energy: -454.980
where: short stacking energy: -205.620
Base-Backbone interact. energy: -1.382
local terms energy: -203.587192
where:
bonds (distance) C4'-P energy: -47.068
bonds (distance) P-C4' energy: -57.431
flat angles C4'-P-C4' energy: -33.739
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -37.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -524.768273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.768273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.768273 (E_RNA)
where:
Base-Base interactions energy: -319.189
where: short stacking energy: -159.004
Base-Backbone interact. energy: -2.911
local terms energy: -202.668349
where:
bonds (distance) C4'-P energy: -48.218
bonds (distance) P-C4' energy: -39.122
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -39.627
tors. eta vs tors. theta energy: -29.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -367.747314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.747314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.747314 (E_RNA)
where:
Base-Base interactions energy: -183.003
where: short stacking energy: -118.141
Base-Backbone interact. energy: 0.906
local terms energy: -185.649884
where:
bonds (distance) C4'-P energy: -58.675
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -22.596
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: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1092.289467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.289467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.289467 (E_RNA)
where:
Base-Base interactions energy: -763.373
where: short stacking energy: -341.700
Base-Backbone interact. energy: 0.322
local terms energy: -329.238548
where:
bonds (distance) C4'-P energy: -54.297
bonds (distance) P-C4' energy: -54.532
flat angles C4'-P-C4' energy: -72.553
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -100.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1038.831165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.831165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.831165 (E_RNA)
where:
Base-Base interactions energy: -720.801
where: short stacking energy: -315.700
Base-Backbone interact. energy: -1.568
local terms energy: -316.462302
where:
bonds (distance) C4'-P energy: -62.906
bonds (distance) P-C4' energy: -59.077
flat angles C4'-P-C4' energy: -62.408
flat angles P-C4'-P energy: -47.398
tors. eta vs tors. theta energy: -84.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1013.582815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.582815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.582815 (E_RNA)
where:
Base-Base interactions energy: -703.072
where: short stacking energy: -321.910
Base-Backbone interact. energy: -1.616
local terms energy: -308.895292
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -58.813
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -94.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -896.764181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.764181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.764181 (E_RNA)
where:
Base-Base interactions energy: -616.751
where: short stacking energy: -253.466
Base-Backbone interact. energy: 0.785
local terms energy: -280.797471
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -61.925
flat angles C4'-P-C4' energy: -61.365
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -63.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -944.508326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.508326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.508326 (E_RNA)
where:
Base-Base interactions energy: -657.280
where: short stacking energy: -287.738
Base-Backbone interact. energy: -1.030
local terms energy: -286.198416
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -59.557
flat angles C4'-P-C4' energy: -60.158
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -82.928
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: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -777.263685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.263685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.263685 (E_RNA)
where:
Base-Base interactions energy: -510.714
where: short stacking energy: -241.607
Base-Backbone interact. energy: -2.395
local terms energy: -264.153991
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -53.989
flat angles C4'-P-C4' energy: -58.635
flat angles P-C4'-P energy: -43.179
tors. eta vs tors. theta energy: -60.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -814.604017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.604017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.604017 (E_RNA)
where:
Base-Base interactions energy: -572.946
where: short stacking energy: -229.086
Base-Backbone interact. energy: -1.703
local terms energy: -239.954302
where:
bonds (distance) C4'-P energy: -46.467
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: -48.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -710.863050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.863050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.863050 (E_RNA)
where:
Base-Base interactions energy: -473.113
where: short stacking energy: -204.430
Base-Backbone interact. energy: 0.347
local terms energy: -238.096897
where:
bonds (distance) C4'-P energy: -36.848
bonds (distance) P-C4' energy: -62.357
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -43.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -534.320737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.320737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.320737 (E_RNA)
where:
Base-Base interactions energy: -316.074
where: short stacking energy: -165.041
Base-Backbone interact. energy: -0.289
local terms energy: -217.957526
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -49.760
flat angles C4'-P-C4' energy: -53.602
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -36.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -359.610773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.610773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.610773 (E_RNA)
where:
Base-Base interactions energy: -166.794
where: short stacking energy: -101.402
Base-Backbone interact. energy: -1.973
local terms energy: -190.844340
where:
bonds (distance) C4'-P energy: -51.450
bonds (distance) P-C4' energy: -56.221
flat angles C4'-P-C4' energy: -47.592
flat angles P-C4'-P energy: -34.699
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1091.822017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.822017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.822017 (E_RNA)
where:
Base-Base interactions energy: -760.060
where: short stacking energy: -322.498
Base-Backbone interact. energy: 0.257
local terms energy: -332.019564
where:
bonds (distance) C4'-P energy: -61.555
bonds (distance) P-C4' energy: -64.406
flat angles C4'-P-C4' energy: -73.821
flat angles P-C4'-P energy: -42.206
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: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1048.331007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.331007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.331007 (E_RNA)
where:
Base-Base interactions energy: -724.594
where: short stacking energy: -324.647
Base-Backbone interact. energy: 0.165
local terms energy: -323.902075
where:
bonds (distance) C4'-P energy: -59.584
bonds (distance) P-C4' energy: -64.090
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -45.264
tors. eta vs tors. theta energy: -89.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1019.980621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.980621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.980621 (E_RNA)
where:
Base-Base interactions energy: -702.311
where: short stacking energy: -316.847
Base-Backbone interact. energy: -1.888
local terms energy: -315.781412
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -69.175
flat angles P-C4'-P energy: -46.675
tors. eta vs tors. theta energy: -92.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -914.177141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.177141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.177141 (E_RNA)
where:
Base-Base interactions energy: -625.922
where: short stacking energy: -277.219
Base-Backbone interact. energy: -1.391
local terms energy: -286.864265
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -59.325
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -45.819
tors. eta vs tors. theta energy: -71.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -953.807192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.807192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.807192 (E_RNA)
where:
Base-Base interactions energy: -649.984
where: short stacking energy: -260.368
Base-Backbone interact. energy: -0.266
local terms energy: -303.557030
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -58.247
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -78.541
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: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -777.264524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.264524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.264524 (E_RNA)
where:
Base-Base interactions energy: -524.799
where: short stacking energy: -242.307
Base-Backbone interact. energy: -0.947
local terms energy: -251.518038
where:
bonds (distance) C4'-P energy: -55.502
bonds (distance) P-C4' energy: -41.130
flat angles C4'-P-C4' energy: -53.616
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: -52.875
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: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -834.324353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.324353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.324353 (E_RNA)
where:
Base-Base interactions energy: -594.997
where: short stacking energy: -228.852
Base-Backbone interact. energy: 0.058
local terms energy: -239.385111
where:
bonds (distance) C4'-P energy: -43.187
bonds (distance) P-C4' energy: -63.084
flat angles C4'-P-C4' energy: -55.096
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -46.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -710.418148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.418148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.418148 (E_RNA)
where:
Base-Base interactions energy: -469.357
where: short stacking energy: -205.181
Base-Backbone interact. energy: 2.529
local terms energy: -243.590263
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -58.485
flat angles C4'-P-C4' energy: -61.336
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -45.597
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: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -535.704066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.704066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.704066 (E_RNA)
where:
Base-Base interactions energy: -328.811
where: short stacking energy: -169.629
Base-Backbone interact. energy: -0.819
local terms energy: -206.073657
where:
bonds (distance) C4'-P energy: -44.821
bonds (distance) P-C4' energy: -46.243
flat angles C4'-P-C4' energy: -49.328
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -32.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -352.436499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.436499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.436499 (E_RNA)
where:
Base-Base interactions energy: -177.538
where: short stacking energy: -107.723
Base-Backbone interact. energy: -0.055
local terms energy: -174.843859
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -53.440
flat angles C4'-P-C4' energy: -54.493
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1123.928146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.928146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.928146 (E_RNA)
where:
Base-Base interactions energy: -772.612
where: short stacking energy: -350.388
Base-Backbone interact. energy: -0.925
local terms energy: -350.391302
where:
bonds (distance) C4'-P energy: -60.201
bonds (distance) P-C4' energy: -67.122
flat angles C4'-P-C4' energy: -69.859
flat angles P-C4'-P energy: -52.185
tors. eta vs tors. theta energy: -101.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1048.192918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.192918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.192918 (E_RNA)
where:
Base-Base interactions energy: -731.984
where: short stacking energy: -314.084
Base-Backbone interact. energy: -1.531
local terms energy: -314.677886
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -61.021
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -91.319
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: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1023.070208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.070208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.070208 (E_RNA)
where:
Base-Base interactions energy: -714.385
where: short stacking energy: -315.856
Base-Backbone interact. energy: -1.691
local terms energy: -306.994295
where:
bonds (distance) C4'-P energy: -47.188
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -60.069
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -94.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -914.165732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.165732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.165732 (E_RNA)
where:
Base-Base interactions energy: -624.149
where: short stacking energy: -251.641
Base-Backbone interact. energy: -1.642
local terms energy: -288.374373
where:
bonds (distance) C4'-P energy: -61.040
bonds (distance) P-C4' energy: -59.013
flat angles C4'-P-C4' energy: -67.955
flat angles P-C4'-P energy: -31.676
tors. eta vs tors. theta energy: -68.691
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: 119
Temperature: 1.100000
Total energy: -872.799849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.799849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.799849 (E_RNA)
where:
Base-Base interactions energy: -588.843
where: short stacking energy: -259.858
Base-Backbone interact. energy: -1.995
local terms energy: -281.962292
where:
bonds (distance) C4'-P energy: -53.736
bonds (distance) P-C4' energy: -59.513
flat angles C4'-P-C4' energy: -55.742
flat angles P-C4'-P energy: -38.956
tors. eta vs tors. theta energy: -74.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -863.183652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.183652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.183652 (E_RNA)
where:
Base-Base interactions energy: -604.386
where: short stacking energy: -233.433
Base-Backbone interact. energy: 0.074
local terms energy: -258.871475
where:
bonds (distance) C4'-P energy: -46.779
bonds (distance) P-C4' energy: -52.120
flat angles C4'-P-C4' energy: -62.071
flat angles P-C4'-P energy: -34.138
tors. eta vs tors. theta energy: -63.763
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: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -781.452011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.452011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.452011 (E_RNA)
where:
Base-Base interactions energy: -530.745
where: short stacking energy: -226.910
Base-Backbone interact. energy: -0.596
local terms energy: -250.110836
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -58.233
flat angles C4'-P-C4' energy: -55.872
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -52.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -686.924108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.924108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.924108 (E_RNA)
where:
Base-Base interactions energy: -452.441
where: short stacking energy: -200.401
Base-Backbone interact. energy: -0.404
local terms energy: -234.079382
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -58.011
flat angles C4'-P-C4' energy: -52.556
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: -35.183
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: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -505.094315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.094315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.094315 (E_RNA)
where:
Base-Base interactions energy: -301.198
where: short stacking energy: -157.557
Base-Backbone interact. energy: -0.208
local terms energy: -203.687875
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -43.048
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -24.984
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -364.323424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.323424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.323424 (E_RNA)
where:
Base-Base interactions energy: -175.105
where: short stacking energy: -90.806
Base-Backbone interact. energy: 0.326
local terms energy: -189.544204
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -62.551
flat angles C4'-P-C4' energy: -44.617
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: 2.370
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: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1108.465121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.465121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.465121 (E_RNA)
where:
Base-Base interactions energy: -773.590
where: short stacking energy: -340.491
Base-Backbone interact. energy: 4.075
local terms energy: -338.950197
where:
bonds (distance) C4'-P energy: -63.333
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -74.767
flat angles P-C4'-P energy: -45.115
tors. eta vs tors. theta energy: -98.619
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: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1023.365448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.365448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.365448 (E_RNA)
where:
Base-Base interactions energy: -715.581
where: short stacking energy: -321.151
Base-Backbone interact. energy: -3.789
local terms energy: -303.995380
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -59.078
flat angles C4'-P-C4' energy: -67.853
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: -83.289
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: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -989.862826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.862826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.862826 (E_RNA)
where:
Base-Base interactions energy: -687.480
where: short stacking energy: -305.630
Base-Backbone interact. energy: -1.433
local terms energy: -300.950653
where:
bonds (distance) C4'-P energy: -62.109
bonds (distance) P-C4' energy: -61.163
flat angles C4'-P-C4' energy: -60.544
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -84.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1036.446216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.446216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.446216 (E_RNA)
where:
Base-Base interactions energy: -705.573
where: short stacking energy: -314.494
Base-Backbone interact. energy: 1.272
local terms energy: -332.145116
where:
bonds (distance) C4'-P energy: -63.015
bonds (distance) P-C4' energy: -64.750
flat angles C4'-P-C4' energy: -71.416
flat angles P-C4'-P energy: -39.531
tors. eta vs tors. theta energy: -93.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -926.843012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.843012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.843012 (E_RNA)
where:
Base-Base interactions energy: -647.851
where: short stacking energy: -262.918
Base-Backbone interact. energy: -0.706
local terms energy: -278.285589
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -63.603
flat angles C4'-P-C4' energy: -56.558
flat angles P-C4'-P energy: -43.182
tors. eta vs tors. theta energy: -63.191
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: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -858.794247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.794247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.794247 (E_RNA)
where:
Base-Base interactions energy: -595.710
where: short stacking energy: -251.758
Base-Backbone interact. energy: -3.947
local terms energy: -259.136622
where:
bonds (distance) C4'-P energy: -40.654
bonds (distance) P-C4' energy: -61.187
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -26.414
tors. eta vs tors. theta energy: -65.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -789.912801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.912801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.912801 (E_RNA)
where:
Base-Base interactions energy: -548.428
where: short stacking energy: -250.030
Base-Backbone interact. energy: -1.049
local terms energy: -240.435966
where:
bonds (distance) C4'-P energy: -44.452
bonds (distance) P-C4' energy: -48.360
flat angles C4'-P-C4' energy: -60.289
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -64.426
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -684.284165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.284165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.284165 (E_RNA)
where:
Base-Base interactions energy: -465.192
where: short stacking energy: -209.812
Base-Backbone interact. energy: 4.303
local terms energy: -223.394825
where:
bonds (distance) C4'-P energy: -46.777
bonds (distance) P-C4' energy: -50.492
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -42.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -531.040367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.040367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.040367 (E_RNA)
where:
Base-Base interactions energy: -331.687
where: short stacking energy: -156.234
Base-Backbone interact. energy: -0.842
local terms energy: -198.511445
where:
bonds (distance) C4'-P energy: -44.242
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -33.041
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -29.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -343.273203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.273203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.273203 (E_RNA)
where:
Base-Base interactions energy: -174.519
where: short stacking energy: -98.051
Base-Backbone interact. energy: 1.121
local terms energy: -169.875658
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -44.247
flat angles C4'-P-C4' energy: -48.674
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1097.355584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.355584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.355584 (E_RNA)
where:
Base-Base interactions energy: -762.211
where: short stacking energy: -351.002
Base-Backbone interact. energy: 0.160
local terms energy: -335.304989
where:
bonds (distance) C4'-P energy: -66.689
bonds (distance) P-C4' energy: -60.430
flat angles C4'-P-C4' energy: -67.016
flat angles P-C4'-P energy: -44.538
tors. eta vs tors. theta energy: -96.632
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: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1059.738087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.738087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.738087 (E_RNA)
where:
Base-Base interactions energy: -751.266
where: short stacking energy: -330.553
Base-Backbone interact. energy: -1.953
local terms energy: -306.519487
where:
bonds (distance) C4'-P energy: -58.288
bonds (distance) P-C4' energy: -56.577
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -85.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -989.107049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.107049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.107049 (E_RNA)
where:
Base-Base interactions energy: -673.748
where: short stacking energy: -289.388
Base-Backbone interact. energy: 3.174
local terms energy: -318.532605
where:
bonds (distance) C4'-P energy: -64.702
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -61.006
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: -79.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -999.012463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.012463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.012463 (E_RNA)
where:
Base-Base interactions energy: -687.879
where: short stacking energy: -303.768
Base-Backbone interact. energy: -0.733
local terms energy: -310.400928
where:
bonds (distance) C4'-P energy: -59.493
bonds (distance) P-C4' energy: -60.812
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -33.477
tors. eta vs tors. theta energy: -91.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -915.127054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.127054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.127054 (E_RNA)
where:
Base-Base interactions energy: -626.006
where: short stacking energy: -260.214
Base-Backbone interact. energy: -1.503
local terms energy: -287.617630
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -58.770
flat angles C4'-P-C4' energy: -66.018
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: -70.119
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -887.149883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.149883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.149883 (E_RNA)
where:
Base-Base interactions energy: -606.314
where: short stacking energy: -272.599
Base-Backbone interact. energy: 0.006
local terms energy: -280.842725
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -63.148
flat angles C4'-P-C4' energy: -69.271
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -68.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -774.893226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.893226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.893226 (E_RNA)
where:
Base-Base interactions energy: -523.567
where: short stacking energy: -226.550
Base-Backbone interact. energy: -1.071
local terms energy: -250.255362
where:
bonds (distance) C4'-P energy: -53.666
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -65.127
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -53.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -682.743620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.743620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.743620 (E_RNA)
where:
Base-Base interactions energy: -453.491
where: short stacking energy: -198.763
Base-Backbone interact. energy: 1.889
local terms energy: -231.141087
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -58.652
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -33.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -516.408737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.408737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.408737 (E_RNA)
where:
Base-Base interactions energy: -303.497
where: short stacking energy: -160.782
Base-Backbone interact. energy: 0.242
local terms energy: -213.153670
where:
bonds (distance) C4'-P energy: -59.516
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -52.845
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -30.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -338.286334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.286334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.286334 (E_RNA)
where:
Base-Base interactions energy: -159.265
where: short stacking energy: -103.442
Base-Backbone interact. energy: -1.118
local terms energy: -177.902966
where:
bonds (distance) C4'-P energy: -60.361
bonds (distance) P-C4' energy: -51.329
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -4.747
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: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1065.767303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.767303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.767303 (E_RNA)
where:
Base-Base interactions energy: -742.172
where: short stacking energy: -327.395
Base-Backbone interact. energy: -2.757
local terms energy: -320.837953
where:
bonds (distance) C4'-P energy: -67.807
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -63.895
flat angles P-C4'-P energy: -41.835
tors. eta vs tors. theta energy: -84.040
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: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1103.260372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.260372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.260372 (E_RNA)
where:
Base-Base interactions energy: -779.113
where: short stacking energy: -357.102
Base-Backbone interact. energy: -0.395
local terms energy: -323.752071
where:
bonds (distance) C4'-P energy: -56.611
bonds (distance) P-C4' energy: -54.946
flat angles C4'-P-C4' energy: -66.382
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -105.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -992.528342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.528342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.528342 (E_RNA)
where:
Base-Base interactions energy: -678.066
where: short stacking energy: -300.844
Base-Backbone interact. energy: 0.881
local terms energy: -315.343403
where:
bonds (distance) C4'-P energy: -56.474
bonds (distance) P-C4' energy: -56.052
flat angles C4'-P-C4' energy: -70.133
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -86.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -989.673282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.673282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.673282 (E_RNA)
where:
Base-Base interactions energy: -670.157
where: short stacking energy: -306.090
Base-Backbone interact. energy: -1.382
local terms energy: -318.134603
where:
bonds (distance) C4'-P energy: -62.861
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -69.370
flat angles P-C4'-P energy: -41.426
tors. eta vs tors. theta energy: -87.245
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: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -924.812677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.812677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.812677 (E_RNA)
where:
Base-Base interactions energy: -633.460
where: short stacking energy: -263.426
Base-Backbone interact. energy: -1.690
local terms energy: -289.662612
where:
bonds (distance) C4'-P energy: -61.091
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -60.474
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -71.300
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: 122
Temperature: 1.150000
Total energy: -832.189813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.189813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.189813 (E_RNA)
where:
Base-Base interactions energy: -570.218
where: short stacking energy: -242.423
Base-Backbone interact. energy: -1.446
local terms energy: -260.525819
where:
bonds (distance) C4'-P energy: -61.666
bonds (distance) P-C4' energy: -47.112
flat angles C4'-P-C4' energy: -54.441
flat angles P-C4'-P energy: -40.883
tors. eta vs tors. theta energy: -56.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -710.783402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.783402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.783402 (E_RNA)
where:
Base-Base interactions energy: -478.799
where: short stacking energy: -200.450
Base-Backbone interact. energy: 1.833
local terms energy: -233.817659
where:
bonds (distance) C4'-P energy: -48.189
bonds (distance) P-C4' energy: -53.432
flat angles C4'-P-C4' energy: -50.553
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -46.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -749.742957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.742957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.742957 (E_RNA)
where:
Base-Base interactions energy: -513.826
where: short stacking energy: -225.927
Base-Backbone interact. energy: 2.388
local terms energy: -238.304582
where:
bonds (distance) C4'-P energy: -56.025
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -56.705
flat angles P-C4'-P energy: -30.021
tors. eta vs tors. theta energy: -52.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -511.919313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.919313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.919313 (E_RNA)
where:
Base-Base interactions energy: -297.532
where: short stacking energy: -144.310
Base-Backbone interact. energy: -0.211
local terms energy: -214.176122
where:
bonds (distance) C4'-P energy: -54.502
bonds (distance) P-C4' energy: -62.750
flat angles C4'-P-C4' energy: -47.302
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -380.695599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.695599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.695599 (E_RNA)
where:
Base-Base interactions energy: -182.016
where: short stacking energy: -121.604
Base-Backbone interact. energy: -1.117
local terms energy: -197.563307
where:
bonds (distance) C4'-P energy: -40.131
bonds (distance) P-C4' energy: -57.874
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -21.242
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: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1057.618609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.618609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.618609 (E_RNA)
where:
Base-Base interactions energy: -755.272
where: short stacking energy: -319.717
Base-Backbone interact. energy: -0.184
local terms energy: -302.162552
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -59.822
flat angles C4'-P-C4' energy: -67.454
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -87.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1066.436291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.436291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.436291 (E_RNA)
where:
Base-Base interactions energy: -743.582
where: short stacking energy: -330.871
Base-Backbone interact. energy: -1.139
local terms energy: -321.714647
where:
bonds (distance) C4'-P energy: -62.235
bonds (distance) P-C4' energy: -60.360
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -95.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -989.817293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.817293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.817293 (E_RNA)
where:
Base-Base interactions energy: -687.913
where: short stacking energy: -280.093
Base-Backbone interact. energy: -2.199
local terms energy: -299.705311
where:
bonds (distance) C4'-P energy: -47.077
bonds (distance) P-C4' energy: -65.458
flat angles C4'-P-C4' energy: -68.845
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -79.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -981.084470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.084470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.084470 (E_RNA)
where:
Base-Base interactions energy: -687.989
where: short stacking energy: -294.006
Base-Backbone interact. energy: -1.457
local terms energy: -291.638188
where:
bonds (distance) C4'-P energy: -46.555
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -60.554
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -86.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -941.898627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.898627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.898627 (E_RNA)
where:
Base-Base interactions energy: -670.485
where: short stacking energy: -263.517
Base-Backbone interact. energy: -0.310
local terms energy: -271.104481
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -58.521
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -66.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -861.119747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.119747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.119747 (E_RNA)
where:
Base-Base interactions energy: -608.707
where: short stacking energy: -273.793
Base-Backbone interact. energy: -0.628
local terms energy: -251.784670
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -40.271
flat angles C4'-P-C4' energy: -55.625
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -65.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -739.435717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.435717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.435717 (E_RNA)
where:
Base-Base interactions energy: -471.313
where: short stacking energy: -221.510
Base-Backbone interact. energy: 1.475
local terms energy: -269.597844
where:
bonds (distance) C4'-P energy: -66.001
bonds (distance) P-C4' energy: -55.403
flat angles C4'-P-C4' energy: -58.705
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -51.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -750.242221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.242221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.242221 (E_RNA)
where:
Base-Base interactions energy: -505.128
where: short stacking energy: -200.315
Base-Backbone interact. energy: -0.569
local terms energy: -244.545032
where:
bonds (distance) C4'-P energy: -50.969
bonds (distance) P-C4' energy: -59.352
flat angles C4'-P-C4' energy: -56.791
flat angles P-C4'-P energy: -33.225
tors. eta vs tors. theta energy: -44.207
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: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -537.490808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.490808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.490808 (E_RNA)
where:
Base-Base interactions energy: -324.396
where: short stacking energy: -164.452
Base-Backbone interact. energy: 3.793
local terms energy: -216.887936
where:
bonds (distance) C4'-P energy: -50.362
bonds (distance) P-C4' energy: -57.882
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -379.733610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.733610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.733610 (E_RNA)
where:
Base-Base interactions energy: -188.759
where: short stacking energy: -109.723
Base-Backbone interact. energy: 3.398
local terms energy: -194.371837
where:
bonds (distance) C4'-P energy: -44.462
bonds (distance) P-C4' energy: -62.735
flat angles C4'-P-C4' energy: -47.685
flat angles P-C4'-P energy: -29.740
tors. eta vs tors. theta energy: -9.749
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: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1091.197883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.197883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.197883 (E_RNA)
where:
Base-Base interactions energy: -768.353
where: short stacking energy: -334.021
Base-Backbone interact. energy: -2.293
local terms energy: -320.552019
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -56.712
flat angles C4'-P-C4' energy: -70.092
flat angles P-C4'-P energy: -47.865
tors. eta vs tors. theta energy: -92.660
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: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1021.640711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.640711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.640711 (E_RNA)
where:
Base-Base interactions energy: -720.696
where: short stacking energy: -316.107
Base-Backbone interact. energy: -1.513
local terms energy: -299.430984
where:
bonds (distance) C4'-P energy: -59.363
bonds (distance) P-C4' energy: -51.681
flat angles C4'-P-C4' energy: -71.003
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -77.527
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: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1019.287653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.287653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.287653 (E_RNA)
where:
Base-Base interactions energy: -704.224
where: short stacking energy: -312.612
Base-Backbone interact. energy: -1.023
local terms energy: -314.040944
where:
bonds (distance) C4'-P energy: -59.367
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -62.910
flat angles P-C4'-P energy: -40.537
tors. eta vs tors. theta energy: -90.646
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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -978.869502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.869502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.869502 (E_RNA)
where:
Base-Base interactions energy: -675.765
where: short stacking energy: -272.886
Base-Backbone interact. energy: -2.152
local terms energy: -300.952564
where:
bonds (distance) C4'-P energy: -58.308
bonds (distance) P-C4' energy: -54.169
flat angles C4'-P-C4' energy: -67.297
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -84.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -940.409036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.409036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.409036 (E_RNA)
where:
Base-Base interactions energy: -648.740
where: short stacking energy: -260.636
Base-Backbone interact. energy: -0.631
local terms energy: -291.037829
where:
bonds (distance) C4'-P energy: -50.899
bonds (distance) P-C4' energy: -64.792
flat angles C4'-P-C4' energy: -68.132
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -68.017
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: 124
Temperature: 1.150000
Total energy: -853.229452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.229452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.229452 (E_RNA)
where:
Base-Base interactions energy: -583.267
where: short stacking energy: -250.273
Base-Backbone interact. energy: -0.758
local terms energy: -269.204904
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -67.921
flat angles C4'-P-C4' energy: -53.956
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -63.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -792.006306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.006306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.006306 (E_RNA)
where:
Base-Base interactions energy: -534.943
where: short stacking energy: -229.819
Base-Backbone interact. energy: -1.076
local terms energy: -255.987209
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -53.830
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -55.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -696.644889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.644889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.644889 (E_RNA)
where:
Base-Base interactions energy: -460.076
where: short stacking energy: -201.008
Base-Backbone interact. energy: 0.353
local terms energy: -236.921689
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -46.649
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -47.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -534.123549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.123549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.123549 (E_RNA)
where:
Base-Base interactions energy: -323.749
where: short stacking energy: -133.352
Base-Backbone interact. energy: -1.329
local terms energy: -209.045624
where:
bonds (distance) C4'-P energy: -48.050
bonds (distance) P-C4' energy: -56.228
flat angles C4'-P-C4' energy: -53.531
flat angles P-C4'-P energy: -25.313
tors. eta vs tors. theta energy: -25.923
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: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -375.138336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.138336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.138336 (E_RNA)
where:
Base-Base interactions energy: -194.845
where: short stacking energy: -110.829
Base-Backbone interact. energy: 2.494
local terms energy: -182.788189
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -50.066
flat angles C4'-P-C4' energy: -58.813
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -16.613
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: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1089.595887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.595887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.595887 (E_RNA)
where:
Base-Base interactions energy: -758.919
where: short stacking energy: -337.265
Base-Backbone interact. energy: 0.236
local terms energy: -330.912820
where:
bonds (distance) C4'-P energy: -54.318
bonds (distance) P-C4' energy: -66.287
flat angles C4'-P-C4' energy: -64.098
flat angles P-C4'-P energy: -49.486
tors. eta vs tors. theta energy: -96.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1019.011864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.011864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.011864 (E_RNA)
where:
Base-Base interactions energy: -705.719
where: short stacking energy: -297.317
Base-Backbone interact. energy: -0.224
local terms energy: -313.068832
where:
bonds (distance) C4'-P energy: -59.491
bonds (distance) P-C4' energy: -58.045
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -76.144
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: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -998.592541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.592541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.592541 (E_RNA)
where:
Base-Base interactions energy: -690.719
where: short stacking energy: -322.563
Base-Backbone interact. energy: 1.002
local terms energy: -308.875370
where:
bonds (distance) C4'-P energy: -61.145
bonds (distance) P-C4' energy: -60.847
flat angles C4'-P-C4' energy: -64.196
flat angles P-C4'-P energy: -36.656
tors. eta vs tors. theta energy: -86.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -997.297412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.297412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.297412 (E_RNA)
where:
Base-Base interactions energy: -686.391
where: short stacking energy: -275.099
Base-Backbone interact. energy: -1.046
local terms energy: -309.861176
where:
bonds (distance) C4'-P energy: -56.793
bonds (distance) P-C4' energy: -62.657
flat angles C4'-P-C4' energy: -68.699
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: -78.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -924.165947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.165947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.165947 (E_RNA)
where:
Base-Base interactions energy: -665.462
where: short stacking energy: -257.331
Base-Backbone interact. energy: 2.230
local terms energy: -260.934062
where:
bonds (distance) C4'-P energy: -50.755
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -68.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -832.896879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.896879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.896879 (E_RNA)
where:
Base-Base interactions energy: -566.627
where: short stacking energy: -257.553
Base-Backbone interact. energy: -1.641
local terms energy: -264.628147
where:
bonds (distance) C4'-P energy: -50.043
bonds (distance) P-C4' energy: -52.440
flat angles C4'-P-C4' energy: -55.156
flat angles P-C4'-P energy: -38.340
tors. eta vs tors. theta energy: -68.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -809.284705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.284705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.284705 (E_RNA)
where:
Base-Base interactions energy: -548.368
where: short stacking energy: -257.835
Base-Backbone interact. energy: -1.304
local terms energy: -259.613271
where:
bonds (distance) C4'-P energy: -44.151
bonds (distance) P-C4' energy: -54.171
flat angles C4'-P-C4' energy: -65.105
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -60.484
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: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -684.865352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.865352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.865352 (E_RNA)
where:
Base-Base interactions energy: -471.447
where: short stacking energy: -202.999
Base-Backbone interact. energy: -1.463
local terms energy: -211.955109
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -55.687
flat angles C4'-P-C4' energy: -34.960
flat angles P-C4'-P energy: -37.665
tors. eta vs tors. theta energy: -39.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -545.781822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.781822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.781822 (E_RNA)
where:
Base-Base interactions energy: -354.367
where: short stacking energy: -146.214
Base-Backbone interact. energy: -1.239
local terms energy: -190.175249
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -348.538764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.538764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.538764 (E_RNA)
where:
Base-Base interactions energy: -187.179
where: short stacking energy: -110.420
Base-Backbone interact. energy: -0.359
local terms energy: -161.001204
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -43.988
flat angles C4'-P-C4' energy: -45.414
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1104.912004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.912004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.912004 (E_RNA)
where:
Base-Base interactions energy: -759.036
where: short stacking energy: -346.819
Base-Backbone interact. energy: -2.396
local terms energy: -343.480547
where:
bonds (distance) C4'-P energy: -69.963
bonds (distance) P-C4' energy: -62.745
flat angles C4'-P-C4' energy: -63.672
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: -101.682
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: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1062.939200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.939200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.939200 (E_RNA)
where:
Base-Base interactions energy: -736.810
where: short stacking energy: -321.572
Base-Backbone interact. energy: -2.404
local terms energy: -323.725357
where:
bonds (distance) C4'-P energy: -63.109
bonds (distance) P-C4' energy: -61.644
flat angles C4'-P-C4' energy: -63.022
flat angles P-C4'-P energy: -46.664
tors. eta vs tors. theta energy: -89.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1018.479868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.479868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.479868 (E_RNA)
where:
Base-Base interactions energy: -720.720
where: short stacking energy: -289.645
Base-Backbone interact. energy: -0.669
local terms energy: -297.091524
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -68.312
flat angles C4'-P-C4' energy: -60.744
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -73.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -984.706748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.706748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.706748 (E_RNA)
where:
Base-Base interactions energy: -676.680
where: short stacking energy: -303.071
Base-Backbone interact. energy: -1.323
local terms energy: -306.703154
where:
bonds (distance) C4'-P energy: -57.888
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -66.931
flat angles P-C4'-P energy: -38.856
tors. eta vs tors. theta energy: -84.093
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: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -936.810219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.810219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.810219 (E_RNA)
where:
Base-Base interactions energy: -652.495
where: short stacking energy: -271.926
Base-Backbone interact. energy: -1.568
local terms energy: -282.746679
where:
bonds (distance) C4'-P energy: -42.612
bonds (distance) P-C4' energy: -64.388
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -77.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -856.011648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.011648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.011648 (E_RNA)
where:
Base-Base interactions energy: -579.716
where: short stacking energy: -264.309
Base-Backbone interact. energy: -0.099
local terms energy: -276.196538
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -54.054
flat angles C4'-P-C4' energy: -55.809
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -66.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -822.024381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.024381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.024381 (E_RNA)
where:
Base-Base interactions energy: -560.007
where: short stacking energy: -252.773
Base-Backbone interact. energy: 0.960
local terms energy: -262.977018
where:
bonds (distance) C4'-P energy: -51.990
bonds (distance) P-C4' energy: -43.970
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: -62.305
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: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -711.577528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.577528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.577528 (E_RNA)
where:
Base-Base interactions energy: -498.752
where: short stacking energy: -207.350
Base-Backbone interact. energy: -1.108
local terms energy: -211.717791
where:
bonds (distance) C4'-P energy: -35.708
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -58.749
flat angles P-C4'-P energy: -34.762
tors. eta vs tors. theta energy: -34.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -572.328944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.328944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.328944 (E_RNA)
where:
Base-Base interactions energy: -360.263
where: short stacking energy: -170.168
Base-Backbone interact. energy: -1.628
local terms energy: -210.437787
where:
bonds (distance) C4'-P energy: -48.830
bonds (distance) P-C4' energy: -55.313
flat angles C4'-P-C4' energy: -54.593
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -30.878
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -359.031236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.031236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.031236 (E_RNA)
where:
Base-Base interactions energy: -195.812
where: short stacking energy: -101.682
Base-Backbone interact. energy: 2.250
local terms energy: -165.469132
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -50.857
flat angles C4'-P-C4' energy: -46.276
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1123.047280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.047280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.047280 (E_RNA)
where:
Base-Base interactions energy: -789.266
where: short stacking energy: -364.652
Base-Backbone interact. energy: -1.202
local terms energy: -332.578894
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -60.910
flat angles C4'-P-C4' energy: -67.191
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -100.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1032.031917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.031917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.031917 (E_RNA)
where:
Base-Base interactions energy: -725.299
where: short stacking energy: -314.980
Base-Backbone interact. energy: -1.171
local terms energy: -305.561436
where:
bonds (distance) C4'-P energy: -53.597
bonds (distance) P-C4' energy: -58.649
flat angles C4'-P-C4' energy: -66.006
flat angles P-C4'-P energy: -49.498
tors. eta vs tors. theta energy: -77.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1020.475630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.475630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.475630 (E_RNA)
where:
Base-Base interactions energy: -716.122
where: short stacking energy: -305.506
Base-Backbone interact. energy: -1.895
local terms energy: -302.459522
where:
bonds (distance) C4'-P energy: -51.035
bonds (distance) P-C4' energy: -61.102
flat angles C4'-P-C4' energy: -66.540
flat angles P-C4'-P energy: -39.732
tors. eta vs tors. theta energy: -84.051
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: 127
Temperature: 1.050000
Total energy: -977.515750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.515750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.515750 (E_RNA)
where:
Base-Base interactions energy: -676.852
where: short stacking energy: -303.275
Base-Backbone interact. energy: -1.423
local terms energy: -299.240993
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -64.555
flat angles C4'-P-C4' energy: -64.683
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -86.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -917.485038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.485038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.485038 (E_RNA)
where:
Base-Base interactions energy: -627.703
where: short stacking energy: -262.096
Base-Backbone interact. energy: 1.536
local terms energy: -291.317727
where:
bonds (distance) C4'-P energy: -49.641
bonds (distance) P-C4' energy: -54.869
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -33.635
tors. eta vs tors. theta energy: -82.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -826.344417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.344417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.344417 (E_RNA)
where:
Base-Base interactions energy: -565.046
where: short stacking energy: -264.383
Base-Backbone interact. energy: -1.253
local terms energy: -260.046303
where:
bonds (distance) C4'-P energy: -40.685
bonds (distance) P-C4' energy: -55.305
flat angles C4'-P-C4' energy: -61.978
flat angles P-C4'-P energy: -33.088
tors. eta vs tors. theta energy: -68.990
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: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -848.185522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.185522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.185522 (E_RNA)
where:
Base-Base interactions energy: -561.263
where: short stacking energy: -254.969
Base-Backbone interact. energy: -0.835
local terms energy: -286.086882
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -54.396
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -34.893
tors. eta vs tors. theta energy: -66.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -706.910831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.910831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.910831 (E_RNA)
where:
Base-Base interactions energy: -463.959
where: short stacking energy: -203.489
Base-Backbone interact. energy: 0.189
local terms energy: -243.140516
where:
bonds (distance) C4'-P energy: -50.504
bonds (distance) P-C4' energy: -61.185
flat angles C4'-P-C4' energy: -59.464
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -37.580
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: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -574.696473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.696473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.696473 (E_RNA)
where:
Base-Base interactions energy: -363.272
where: short stacking energy: -169.035
Base-Backbone interact. energy: 0.719
local terms energy: -212.143521
where:
bonds (distance) C4'-P energy: -57.155
bonds (distance) P-C4' energy: -52.128
flat angles C4'-P-C4' energy: -49.635
flat angles P-C4'-P energy: -26.967
tors. eta vs tors. theta energy: -26.259
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: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -342.752406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.752406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.752406 (E_RNA)
where:
Base-Base interactions energy: -177.948
where: short stacking energy: -99.331
Base-Backbone interact. energy: 0.692
local terms energy: -165.496824
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -49.280
flat angles C4'-P-C4' energy: -41.544
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -3.667
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1127.495327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.495327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.495327 (E_RNA)
where:
Base-Base interactions energy: -791.021
where: short stacking energy: -351.431
Base-Backbone interact. energy: -0.137
local terms energy: -336.337202
where:
bonds (distance) C4'-P energy: -61.915
bonds (distance) P-C4' energy: -61.485
flat angles C4'-P-C4' energy: -71.207
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -101.177
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1032.899020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.899020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.899020 (E_RNA)
where:
Base-Base interactions energy: -716.382
where: short stacking energy: -300.652
Base-Backbone interact. energy: -1.169
local terms energy: -315.348078
where:
bonds (distance) C4'-P energy: -62.566
bonds (distance) P-C4' energy: -61.001
flat angles C4'-P-C4' energy: -68.597
flat angles P-C4'-P energy: -45.058
tors. eta vs tors. theta energy: -78.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1000.116815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.116815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.116815 (E_RNA)
where:
Base-Base interactions energy: -716.140
where: short stacking energy: -308.634
Base-Backbone interact. energy: 1.054
local terms energy: -285.030663
where:
bonds (distance) C4'-P energy: -49.494
bonds (distance) P-C4' energy: -59.237
flat angles C4'-P-C4' energy: -56.658
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -84.266
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: 128
Temperature: 1.050000
Total energy: -971.888519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.888519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.888519 (E_RNA)
where:
Base-Base interactions energy: -653.260
where: short stacking energy: -273.325
Base-Backbone interact. energy: -2.088
local terms energy: -316.539688
where:
bonds (distance) C4'-P energy: -57.259
bonds (distance) P-C4' energy: -65.622
flat angles C4'-P-C4' energy: -71.840
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: -84.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -939.376868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.376868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.376868 (E_RNA)
where:
Base-Base interactions energy: -668.701
where: short stacking energy: -274.354
Base-Backbone interact. energy: 0.203
local terms energy: -270.877982
where:
bonds (distance) C4'-P energy: -59.852
bonds (distance) P-C4' energy: -43.982
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -75.198
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: 128
Temperature: 1.150000
Total energy: -855.283972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.283972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.283972 (E_RNA)
where:
Base-Base interactions energy: -591.327
where: short stacking energy: -260.127
Base-Backbone interact. energy: -1.388
local terms energy: -262.569467
where:
bonds (distance) C4'-P energy: -46.577
bonds (distance) P-C4' energy: -58.037
flat angles C4'-P-C4' energy: -55.740
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -71.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -821.732313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.732313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.732313 (E_RNA)
where:
Base-Base interactions energy: -553.751
where: short stacking energy: -241.552
Base-Backbone interact. energy: -1.093
local terms energy: -266.889189
where:
bonds (distance) C4'-P energy: -47.052
bonds (distance) P-C4' energy: -56.708
flat angles C4'-P-C4' energy: -60.917
flat angles P-C4'-P energy: -36.681
tors. eta vs tors. theta energy: -65.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -712.586860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.586860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.586860 (E_RNA)
where:
Base-Base interactions energy: -477.721
where: short stacking energy: -220.980
Base-Backbone interact. energy: -0.896
local terms energy: -233.969896
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -54.122
flat angles C4'-P-C4' energy: -47.726
flat angles P-C4'-P energy: -37.888
tors. eta vs tors. theta energy: -46.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -580.960047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.960047 (E_RNA)
where:
Base-Base interactions energy: -361.549
where: short stacking energy: -150.842
Base-Backbone interact. energy: 0.740
local terms energy: -220.150672
where:
bonds (distance) C4'-P energy: -39.303
bonds (distance) P-C4' energy: -56.856
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -345.085325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.085325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.085325 (E_RNA)
where:
Base-Base interactions energy: -170.160
where: short stacking energy: -98.985
Base-Backbone interact. energy: 0.489
local terms energy: -175.414747
where:
bonds (distance) C4'-P energy: -51.303
bonds (distance) P-C4' energy: -42.268
flat angles C4'-P-C4' energy: -46.566
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -6.357
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: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1090.664891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.664891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.664891 (E_RNA)
where:
Base-Base interactions energy: -766.370
where: short stacking energy: -346.713
Base-Backbone interact. energy: -1.733
local terms energy: -322.562527
where:
bonds (distance) C4'-P energy: -59.712
bonds (distance) P-C4' energy: -61.361
flat angles C4'-P-C4' energy: -63.696
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -96.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1045.206490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.206490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.206490 (E_RNA)
where:
Base-Base interactions energy: -734.794
where: short stacking energy: -301.916
Base-Backbone interact. energy: 0.129
local terms energy: -310.540870
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -62.522
flat angles C4'-P-C4' energy: -67.945
flat angles P-C4'-P energy: -45.619
tors. eta vs tors. theta energy: -78.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1007.433256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.433256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.433256 (E_RNA)
where:
Base-Base interactions energy: -716.596
where: short stacking energy: -308.795
Base-Backbone interact. energy: -2.257
local terms energy: -288.581045
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -51.429
flat angles C4'-P-C4' energy: -68.132
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -78.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -976.831686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.831686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.831686 (E_RNA)
where:
Base-Base interactions energy: -682.091
where: short stacking energy: -298.015
Base-Backbone interact. energy: -1.362
local terms energy: -293.378820
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -60.616
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: -82.617
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: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -911.238962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.238962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.238962 (E_RNA)
where:
Base-Base interactions energy: -648.803
where: short stacking energy: -262.078
Base-Backbone interact. energy: 1.030
local terms energy: -263.466366
where:
bonds (distance) C4'-P energy: -54.208
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -53.306
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -71.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -851.923172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.923172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.923172 (E_RNA)
where:
Base-Base interactions energy: -583.393
where: short stacking energy: -257.511
Base-Backbone interact. energy: -0.689
local terms energy: -267.841452
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -70.768
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: 129
Temperature: 1.200000
Total energy: -827.515752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.515752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.515752 (E_RNA)
where:
Base-Base interactions energy: -576.659
where: short stacking energy: -237.856
Base-Backbone interact. energy: -0.673
local terms energy: -250.183880
where:
bonds (distance) C4'-P energy: -48.769
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -59.139
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -56.943
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: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -692.772523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.772523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.772523 (E_RNA)
where:
Base-Base interactions energy: -453.160
where: short stacking energy: -216.491
Base-Backbone interact. energy: -1.744
local terms energy: -237.868897
where:
bonds (distance) C4'-P energy: -44.028
bonds (distance) P-C4' energy: -53.957
flat angles C4'-P-C4' energy: -53.916
flat angles P-C4'-P energy: -41.580
tors. eta vs tors. theta energy: -44.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -562.622767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.622767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.622767 (E_RNA)
where:
Base-Base interactions energy: -353.899
where: short stacking energy: -163.410
Base-Backbone interact. energy: -1.515
local terms energy: -207.208240
where:
bonds (distance) C4'-P energy: -51.640
bonds (distance) P-C4' energy: -48.526
flat angles C4'-P-C4' energy: -47.333
flat angles P-C4'-P energy: -32.835
tors. eta vs tors. theta energy: -26.875
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: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -330.446767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.446767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.446767 (E_RNA)
where:
Base-Base interactions energy: -168.768
where: short stacking energy: -101.192
Base-Backbone interact. energy: -0.871
local terms energy: -160.807257
where:
bonds (distance) C4'-P energy: -54.879
bonds (distance) P-C4' energy: -55.310
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1115.792675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.792675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.792675 (E_RNA)
where:
Base-Base interactions energy: -780.870
where: short stacking energy: -349.406
Base-Backbone interact. energy: -2.509
local terms energy: -332.413488
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -57.999
flat angles C4'-P-C4' energy: -72.365
flat angles P-C4'-P energy: -47.430
tors. eta vs tors. theta energy: -96.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1040.633489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.633489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.633489 (E_RNA)
where:
Base-Base interactions energy: -726.926
where: short stacking energy: -318.657
Base-Backbone interact. energy: -1.083
local terms energy: -312.624695
where:
bonds (distance) C4'-P energy: -60.375
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -67.656
flat angles P-C4'-P energy: -46.664
tors. eta vs tors. theta energy: -83.343
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: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1027.785921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.785921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.785921 (E_RNA)
where:
Base-Base interactions energy: -713.999
where: short stacking energy: -309.713
Base-Backbone interact. energy: -1.867
local terms energy: -311.919923
where:
bonds (distance) C4'-P energy: -56.845
bonds (distance) P-C4' energy: -61.039
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -90.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -996.082983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.082983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.082983 (E_RNA)
where:
Base-Base interactions energy: -711.351
where: short stacking energy: -308.809
Base-Backbone interact. energy: -0.034
local terms energy: -284.698206
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -55.415
flat angles C4'-P-C4' energy: -65.386
flat angles P-C4'-P energy: -39.922
tors. eta vs tors. theta energy: -86.076
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: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -946.779468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.779468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.779468 (E_RNA)
where:
Base-Base interactions energy: -657.878
where: short stacking energy: -262.993
Base-Backbone interact. energy: -1.876
local terms energy: -287.025054
where:
bonds (distance) C4'-P energy: -41.652
bonds (distance) P-C4' energy: -56.978
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -39.989
tors. eta vs tors. theta energy: -81.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -887.366153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.366153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.366153 (E_RNA)
where:
Base-Base interactions energy: -606.877
where: short stacking energy: -255.945
Base-Backbone interact. energy: -2.345
local terms energy: -278.143920
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -72.130
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -64.902
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: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -749.958361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.958361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.958361 (E_RNA)
where:
Base-Base interactions energy: -478.586
where: short stacking energy: -211.207
Base-Backbone interact. energy: -0.580
local terms energy: -270.792058
where:
bonds (distance) C4'-P energy: -55.051
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -701.866628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.866628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.866628 (E_RNA)
where:
Base-Base interactions energy: -460.539
where: short stacking energy: -224.688
Base-Backbone interact. energy: -0.910
local terms energy: -240.417687
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -52.654
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -49.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -605.948887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.948887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.948887 (E_RNA)
where:
Base-Base interactions energy: -401.495
where: short stacking energy: -193.123
Base-Backbone interact. energy: 0.626
local terms energy: -205.079309
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -51.027
flat angles C4'-P-C4' energy: -45.358
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -37.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -349.899326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.899326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.899326 (E_RNA)
where:
Base-Base interactions energy: -177.862
where: short stacking energy: -99.135
Base-Backbone interact. energy: -1.483
local terms energy: -170.554117
where:
bonds (distance) C4'-P energy: -41.301
bonds (distance) P-C4' energy: -60.041
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -28.335
tors. eta vs tors. theta energy: -5.051
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: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1112.875919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.875919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.875919 (E_RNA)
where:
Base-Base interactions energy: -780.319
where: short stacking energy: -344.660
Base-Backbone interact. energy: -1.543
local terms energy: -331.014510
where:
bonds (distance) C4'-P energy: -62.151
bonds (distance) P-C4' energy: -54.893
flat angles C4'-P-C4' energy: -67.473
flat angles P-C4'-P energy: -47.069
tors. eta vs tors. theta energy: -99.429
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: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1021.820195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.820195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.820195 (E_RNA)
where:
Base-Base interactions energy: -711.744
where: short stacking energy: -303.323
Base-Backbone interact. energy: -1.670
local terms energy: -308.405753
where:
bonds (distance) C4'-P energy: -58.442
bonds (distance) P-C4' energy: -64.496
flat angles C4'-P-C4' energy: -64.548
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -80.988
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: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1024.993025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.993025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.993025 (E_RNA)
where:
Base-Base interactions energy: -711.788
where: short stacking energy: -307.468
Base-Backbone interact. energy: -2.617
local terms energy: -310.587549
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -62.444
flat angles C4'-P-C4' energy: -57.941
flat angles P-C4'-P energy: -43.823
tors. eta vs tors. theta energy: -88.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1022.417948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.417948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.417948 (E_RNA)
where:
Base-Base interactions energy: -700.352
where: short stacking energy: -295.109
Base-Backbone interact. energy: 1.593
local terms energy: -323.659411
where:
bonds (distance) C4'-P energy: -66.191
bonds (distance) P-C4' energy: -59.766
flat angles C4'-P-C4' energy: -64.451
flat angles P-C4'-P energy: -46.780
tors. eta vs tors. theta energy: -86.472
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: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -913.027641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.027641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.027641 (E_RNA)
where:
Base-Base interactions energy: -641.160
where: short stacking energy: -261.219
Base-Backbone interact. energy: -0.329
local terms energy: -271.537707
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -59.170
flat angles P-C4'-P energy: -39.974
tors. eta vs tors. theta energy: -67.164
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: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -868.815344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.815344 (E_RNA)
where:
Base-Base interactions energy: -583.170
where: short stacking energy: -270.743
Base-Backbone interact. energy: 0.104
local terms energy: -285.749623
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -59.706
flat angles C4'-P-C4' energy: -66.197
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -73.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -811.756906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.756906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.756906 (E_RNA)
where:
Base-Base interactions energy: -559.809
where: short stacking energy: -252.919
Base-Backbone interact. energy: -2.070
local terms energy: -249.877747
where:
bonds (distance) C4'-P energy: -47.701
bonds (distance) P-C4' energy: -47.559
flat angles C4'-P-C4' energy: -58.226
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -62.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -687.935660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.935660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.935660 (E_RNA)
where:
Base-Base interactions energy: -455.715
where: short stacking energy: -223.316
Base-Backbone interact. energy: -0.399
local terms energy: -231.821026
where:
bonds (distance) C4'-P energy: -57.286
bonds (distance) P-C4' energy: -41.442
flat angles C4'-P-C4' energy: -57.514
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -44.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -561.590617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.590617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.590617 (E_RNA)
where:
Base-Base interactions energy: -348.179
where: short stacking energy: -168.344
Base-Backbone interact. energy: -0.653
local terms energy: -212.758286
where:
bonds (distance) C4'-P energy: -41.457
bonds (distance) P-C4' energy: -49.887
flat angles C4'-P-C4' energy: -50.010
flat angles P-C4'-P energy: -38.130
tors. eta vs tors. theta energy: -33.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -426.766111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.766111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.766111 (E_RNA)
where:
Base-Base interactions energy: -221.541
where: short stacking energy: -146.035
Base-Backbone interact. energy: 0.430
local terms energy: -205.655251
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -29.918
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: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1123.385816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.385816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.385816 (E_RNA)
where:
Base-Base interactions energy: -780.616
where: short stacking energy: -364.025
Base-Backbone interact. energy: -0.439
local terms energy: -342.330682
where:
bonds (distance) C4'-P energy: -65.666
bonds (distance) P-C4' energy: -62.363
flat angles C4'-P-C4' energy: -68.061
flat angles P-C4'-P energy: -44.797
tors. eta vs tors. theta energy: -101.443
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: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1030.914964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.914964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.914964 (E_RNA)
where:
Base-Base interactions energy: -719.389
where: short stacking energy: -302.097
Base-Backbone interact. energy: -2.076
local terms energy: -309.450253
where:
bonds (distance) C4'-P energy: -67.303
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -61.422
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -78.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1038.246106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.246106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.246106 (E_RNA)
where:
Base-Base interactions energy: -710.306
where: short stacking energy: -318.111
Base-Backbone interact. energy: -2.585
local terms energy: -325.354654
where:
bonds (distance) C4'-P energy: -60.104
bonds (distance) P-C4' energy: -65.970
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -92.006
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: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -989.136655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.136655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.136655 (E_RNA)
where:
Base-Base interactions energy: -693.544
where: short stacking energy: -290.037
Base-Backbone interact. energy: 0.769
local terms energy: -296.361709
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -51.539
flat angles C4'-P-C4' energy: -63.280
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -89.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -882.697415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.697415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.697415 (E_RNA)
where:
Base-Base interactions energy: -592.036
where: short stacking energy: -282.538
Base-Backbone interact. energy: -0.149
local terms energy: -290.511728
where:
bonds (distance) C4'-P energy: -56.127
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -62.587
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -78.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -894.601333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.601333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.601333 (E_RNA)
where:
Base-Base interactions energy: -612.770
where: short stacking energy: -271.900
Base-Backbone interact. energy: -0.014
local terms energy: -281.817196
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -62.059
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -48.740
tors. eta vs tors. theta energy: -78.858
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: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -698.309700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.309700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.309700 (E_RNA)
where:
Base-Base interactions energy: -445.086
where: short stacking energy: -187.133
Base-Backbone interact. energy: 0.579
local terms energy: -253.802240
where:
bonds (distance) C4'-P energy: -60.343
bonds (distance) P-C4' energy: -61.273
flat angles C4'-P-C4' energy: -55.269
flat angles P-C4'-P energy: -41.248
tors. eta vs tors. theta energy: -35.669
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: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -782.272513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.272513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.272513 (E_RNA)
where:
Base-Base interactions energy: -545.446
where: short stacking energy: -236.401
Base-Backbone interact. energy: 2.848
local terms energy: -239.673990
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -59.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -539.321781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.321781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.321781 (E_RNA)
where:
Base-Base interactions energy: -322.177
where: short stacking energy: -168.327
Base-Backbone interact. energy: 1.953
local terms energy: -219.098467
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -51.750
flat angles C4'-P-C4' energy: -51.362
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -343.608362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.608362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.608362 (E_RNA)
where:
Base-Base interactions energy: -166.485
where: short stacking energy: -88.064
Base-Backbone interact. energy: -0.371
local terms energy: -176.751762
where:
bonds (distance) C4'-P energy: -48.441
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -44.147
flat angles P-C4'-P energy: -27.720
tors. eta vs tors. theta energy: -6.678
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: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1101.528067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.528067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.528067 (E_RNA)
where:
Base-Base interactions energy: -764.141
where: short stacking energy: -345.011
Base-Backbone interact. energy: 0.793
local terms energy: -338.180223
where:
bonds (distance) C4'-P energy: -54.560
bonds (distance) P-C4' energy: -66.073
flat angles C4'-P-C4' energy: -70.060
flat angles P-C4'-P energy: -47.257
tors. eta vs tors. theta energy: -100.230
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: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1084.250403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.250403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.250403 (E_RNA)
where:
Base-Base interactions energy: -740.735
where: short stacking energy: -337.196
Base-Backbone interact. energy: -1.549
local terms energy: -341.966137
where:
bonds (distance) C4'-P energy: -63.302
bonds (distance) P-C4' energy: -65.307
flat angles C4'-P-C4' energy: -75.256
flat angles P-C4'-P energy: -44.427
tors. eta vs tors. theta energy: -93.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1025.574555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.574555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.574555 (E_RNA)
where:
Base-Base interactions energy: -712.996
where: short stacking energy: -304.742
Base-Backbone interact. energy: -2.735
local terms energy: -309.843085
where:
bonds (distance) C4'-P energy: -62.719
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -63.003
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -82.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -995.371319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.371319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.371319 (E_RNA)
where:
Base-Base interactions energy: -705.630
where: short stacking energy: -289.534
Base-Backbone interact. energy: -0.102
local terms energy: -289.638868
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -62.598
flat angles P-C4'-P energy: -42.537
tors. eta vs tors. theta energy: -79.136
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: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -929.570585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.570585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.570585 (E_RNA)
where:
Base-Base interactions energy: -621.486
where: short stacking energy: -282.319
Base-Backbone interact. energy: -0.936
local terms energy: -307.148780
where:
bonds (distance) C4'-P energy: -58.855
bonds (distance) P-C4' energy: -65.193
flat angles C4'-P-C4' energy: -63.608
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -78.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -859.628861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.628861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.628861 (E_RNA)
where:
Base-Base interactions energy: -587.242
where: short stacking energy: -259.702
Base-Backbone interact. energy: -0.704
local terms energy: -271.682975
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -56.985
flat angles C4'-P-C4' energy: -55.369
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -69.057
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: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -706.316051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.316051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.316051 (E_RNA)
where:
Base-Base interactions energy: -459.726
where: short stacking energy: -189.448
Base-Backbone interact. energy: -0.742
local terms energy: -245.847308
where:
bonds (distance) C4'-P energy: -51.193
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -45.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -810.287680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.287680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.287680 (E_RNA)
where:
Base-Base interactions energy: -549.206
where: short stacking energy: -236.922
Base-Backbone interact. energy: -1.456
local terms energy: -259.625530
where:
bonds (distance) C4'-P energy: -55.816
bonds (distance) P-C4' energy: -52.189
flat angles C4'-P-C4' energy: -52.608
flat angles P-C4'-P energy: -42.022
tors. eta vs tors. theta energy: -56.990
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: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -550.997846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.997846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.997846 (E_RNA)
where:
Base-Base interactions energy: -335.717
where: short stacking energy: -162.624
Base-Backbone interact. energy: 2.032
local terms energy: -217.312928
where:
bonds (distance) C4'-P energy: -54.600
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -49.813
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -356.288686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.288686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.288686 (E_RNA)
where:
Base-Base interactions energy: -182.932
where: short stacking energy: -103.161
Base-Backbone interact. energy: -1.215
local terms energy: -172.141767
where:
bonds (distance) C4'-P energy: -49.761
bonds (distance) P-C4' energy: -50.941
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -7.829
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: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1084.212190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.212190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.212190 (E_RNA)
where:
Base-Base interactions energy: -748.557
where: short stacking energy: -328.832
Base-Backbone interact. energy: -1.865
local terms energy: -333.790802
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -61.171
flat angles C4'-P-C4' energy: -70.579
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: -94.423
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: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1070.075269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.075269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.075269 (E_RNA)
where:
Base-Base interactions energy: -749.709
where: short stacking energy: -321.444
Base-Backbone interact. energy: -0.035
local terms energy: -320.330924
where:
bonds (distance) C4'-P energy: -58.145
bonds (distance) P-C4' energy: -53.963
flat angles C4'-P-C4' energy: -69.126
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -91.778
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: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -989.504468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.504468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.504468 (E_RNA)
where:
Base-Base interactions energy: -683.240
where: short stacking energy: -277.945
Base-Backbone interact. energy: -0.399
local terms energy: -305.865054
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -62.968
flat angles C4'-P-C4' energy: -72.274
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: -73.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -952.834532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.834532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.834532 (E_RNA)
where:
Base-Base interactions energy: -653.928
where: short stacking energy: -280.284
Base-Backbone interact. energy: -1.284
local terms energy: -297.623236
where:
bonds (distance) C4'-P energy: -52.494
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -63.893
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -84.241
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: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -943.175920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.175920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.175920 (E_RNA)
where:
Base-Base interactions energy: -637.880
where: short stacking energy: -284.791
Base-Backbone interact. energy: -0.827
local terms energy: -304.469353
where:
bonds (distance) C4'-P energy: -57.951
bonds (distance) P-C4' energy: -59.940
flat angles C4'-P-C4' energy: -65.993
flat angles P-C4'-P energy: -39.806
tors. eta vs tors. theta energy: -80.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -866.988737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.988737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.988737 (E_RNA)
where:
Base-Base interactions energy: -613.108
where: short stacking energy: -256.038
Base-Backbone interact. energy: -0.867
local terms energy: -253.014108
where:
bonds (distance) C4'-P energy: -47.145
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -49.687
flat angles P-C4'-P energy: -42.788
tors. eta vs tors. theta energy: -67.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -807.424134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.424134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.424134 (E_RNA)
where:
Base-Base interactions energy: -543.729
where: short stacking energy: -233.734
Base-Backbone interact. energy: -0.747
local terms energy: -262.947922
where:
bonds (distance) C4'-P energy: -55.083
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -56.758
flat angles P-C4'-P energy: -47.783
tors. eta vs tors. theta energy: -53.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -692.842335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.842335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.842335 (E_RNA)
where:
Base-Base interactions energy: -450.292
where: short stacking energy: -176.433
Base-Backbone interact. energy: -0.601
local terms energy: -241.949860
where:
bonds (distance) C4'-P energy: -56.660
bonds (distance) P-C4' energy: -53.640
flat angles C4'-P-C4' energy: -50.779
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -44.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -543.866060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.866060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.866060 (E_RNA)
where:
Base-Base interactions energy: -337.041
where: short stacking energy: -170.107
Base-Backbone interact. energy: 0.487
local terms energy: -207.312263
where:
bonds (distance) C4'-P energy: -56.700
bonds (distance) P-C4' energy: -51.234
flat angles C4'-P-C4' energy: -39.981
flat angles P-C4'-P energy: -29.018
tors. eta vs tors. theta energy: -30.378
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: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -328.071718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.071718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.071718 (E_RNA)
where:
Base-Base interactions energy: -169.380
where: short stacking energy: -97.869
Base-Backbone interact. energy: 2.593
local terms energy: -161.284012
where:
bonds (distance) C4'-P energy: -57.127
bonds (distance) P-C4' energy: -53.254
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: 3.026
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: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1084.086968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.086968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.086968 (E_RNA)
where:
Base-Base interactions energy: -757.959
where: short stacking energy: -326.587
Base-Backbone interact. energy: 0.029
local terms energy: -326.157139
where:
bonds (distance) C4'-P energy: -55.933
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -72.659
flat angles P-C4'-P energy: -45.673
tors. eta vs tors. theta energy: -91.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1085.167500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.167500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.167500 (E_RNA)
where:
Base-Base interactions energy: -756.251
where: short stacking energy: -349.547
Base-Backbone interact. energy: -0.997
local terms energy: -327.919676
where:
bonds (distance) C4'-P energy: -59.928
bonds (distance) P-C4' energy: -50.736
flat angles C4'-P-C4' energy: -74.836
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -101.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1011.095677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.095677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.095677 (E_RNA)
where:
Base-Base interactions energy: -714.684
where: short stacking energy: -311.813
Base-Backbone interact. energy: 0.921
local terms energy: -297.332973
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -63.665
flat angles C4'-P-C4' energy: -66.175
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: -77.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -979.762753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.762753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.762753 (E_RNA)
where:
Base-Base interactions energy: -678.211
where: short stacking energy: -306.775
Base-Backbone interact. energy: -0.214
local terms energy: -301.337915
where:
bonds (distance) C4'-P energy: -53.591
bonds (distance) P-C4' energy: -49.902
flat angles C4'-P-C4' energy: -61.826
flat angles P-C4'-P energy: -49.563
tors. eta vs tors. theta energy: -86.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -912.737109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.737109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.737109 (E_RNA)
where:
Base-Base interactions energy: -632.913
where: short stacking energy: -270.026
Base-Backbone interact. energy: -0.972
local terms energy: -278.852015
where:
bonds (distance) C4'-P energy: -48.874
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -78.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -913.661468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.661468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.661468 (E_RNA)
where:
Base-Base interactions energy: -642.591
where: short stacking energy: -243.108
Base-Backbone interact. energy: 0.876
local terms energy: -271.945904
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -50.940
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -63.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -785.616956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.616956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.616956 (E_RNA)
where:
Base-Base interactions energy: -517.416
where: short stacking energy: -252.557
Base-Backbone interact. energy: 1.865
local terms energy: -270.066209
where:
bonds (distance) C4'-P energy: -63.144
bonds (distance) P-C4' energy: -51.970
flat angles C4'-P-C4' energy: -59.194
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -58.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -711.344407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.344407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.344407 (E_RNA)
where:
Base-Base interactions energy: -476.105
where: short stacking energy: -210.863
Base-Backbone interact. energy: 1.342
local terms energy: -236.580585
where:
bonds (distance) C4'-P energy: -37.097
bonds (distance) P-C4' energy: -60.070
flat angles C4'-P-C4' energy: -58.627
flat angles P-C4'-P energy: -37.266
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: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -510.318804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.318804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.318804 (E_RNA)
where:
Base-Base interactions energy: -312.579
where: short stacking energy: -154.412
Base-Backbone interact. energy: -0.613
local terms energy: -197.127451
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -42.356
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -23.238
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: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -410.995158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.995158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.995158 (E_RNA)
where:
Base-Base interactions energy: -221.291
where: short stacking energy: -127.461
Base-Backbone interact. energy: 1.103
local terms energy: -190.807305
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -50.283
flat angles C4'-P-C4' energy: -45.304
flat angles P-C4'-P energy: -35.092
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1091.222526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.222526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.222526 (E_RNA)
where:
Base-Base interactions energy: -765.603
where: short stacking energy: -317.938
Base-Backbone interact. energy: 0.157
local terms energy: -325.776332
where:
bonds (distance) C4'-P energy: -59.442
bonds (distance) P-C4' energy: -64.056
flat angles C4'-P-C4' energy: -65.286
flat angles P-C4'-P energy: -45.338
tors. eta vs tors. theta energy: -91.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1064.565154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.565154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.565154 (E_RNA)
where:
Base-Base interactions energy: -730.171
where: short stacking energy: -336.835
Base-Backbone interact. energy: -0.180
local terms energy: -334.214046
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -68.142
flat angles C4'-P-C4' energy: -67.204
flat angles P-C4'-P energy: -47.680
tors. eta vs tors. theta energy: -94.241
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: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -999.009056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.009056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.009056 (E_RNA)
where:
Base-Base interactions energy: -700.541
where: short stacking energy: -289.054
Base-Backbone interact. energy: 1.511
local terms energy: -299.979233
where:
bonds (distance) C4'-P energy: -57.327
bonds (distance) P-C4' energy: -63.612
flat angles C4'-P-C4' energy: -64.528
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -71.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -980.895094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.895094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.895094 (E_RNA)
where:
Base-Base interactions energy: -685.854
where: short stacking energy: -302.655
Base-Backbone interact. energy: -1.636
local terms energy: -293.404740
where:
bonds (distance) C4'-P energy: -65.067
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -60.606
flat angles P-C4'-P energy: -39.848
tors. eta vs tors. theta energy: -76.541
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: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -926.029594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.029594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.029594 (E_RNA)
where:
Base-Base interactions energy: -634.414
where: short stacking energy: -274.609
Base-Backbone interact. energy: -3.101
local terms energy: -288.514216
where:
bonds (distance) C4'-P energy: -60.826
bonds (distance) P-C4' energy: -53.830
flat angles C4'-P-C4' energy: -64.130
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -72.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -896.929083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.929083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.929083 (E_RNA)
where:
Base-Base interactions energy: -632.946
where: short stacking energy: -256.809
Base-Backbone interact. energy: 1.784
local terms energy: -265.766741
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -62.370
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -35.628
tors. eta vs tors. theta energy: -65.613
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: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -803.643163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.643163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.643163 (E_RNA)
where:
Base-Base interactions energy: -549.215
where: short stacking energy: -269.312
Base-Backbone interact. energy: 1.520
local terms energy: -255.948338
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -60.369
flat angles P-C4'-P energy: -36.280
tors. eta vs tors. theta energy: -61.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -699.628404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.628404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.628404 (E_RNA)
where:
Base-Base interactions energy: -450.539
where: short stacking energy: -216.078
Base-Backbone interact. energy: -1.646
local terms energy: -247.443126
where:
bonds (distance) C4'-P energy: -48.872
bonds (distance) P-C4' energy: -57.535
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -45.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -436.344435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.344435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.344435 (E_RNA)
where:
Base-Base interactions energy: -242.260
where: short stacking energy: -134.065
Base-Backbone interact. energy: 0.267
local terms energy: -194.351078
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -49.992
flat angles C4'-P-C4' energy: -52.199
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -411.721538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.721538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.721538 (E_RNA)
where:
Base-Base interactions energy: -238.243
where: short stacking energy: -109.171
Base-Backbone interact. energy: -1.294
local terms energy: -172.183906
where:
bonds (distance) C4'-P energy: -44.037
bonds (distance) P-C4' energy: -56.550
flat angles C4'-P-C4' energy: -49.804
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1120.133913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.133913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.133913 (E_RNA)
where:
Base-Base interactions energy: -778.296
where: short stacking energy: -340.568
Base-Backbone interact. energy: -1.689
local terms energy: -340.148616
where:
bonds (distance) C4'-P energy: -66.548
bonds (distance) P-C4' energy: -58.418
flat angles C4'-P-C4' energy: -72.427
flat angles P-C4'-P energy: -51.061
tors. eta vs tors. theta energy: -91.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1060.981812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.981812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.981812 (E_RNA)
where:
Base-Base interactions energy: -724.760
where: short stacking energy: -333.728
Base-Backbone interact. energy: -0.057
local terms energy: -336.164782
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -62.782
flat angles C4'-P-C4' energy: -72.392
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -95.641
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: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -983.879274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.879274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.879274 (E_RNA)
where:
Base-Base interactions energy: -677.990
where: short stacking energy: -281.803
Base-Backbone interact. energy: -0.733
local terms energy: -305.156056
where:
bonds (distance) C4'-P energy: -64.625
bonds (distance) P-C4' energy: -62.007
flat angles C4'-P-C4' energy: -63.926
flat angles P-C4'-P energy: -39.568
tors. eta vs tors. theta energy: -75.030
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -986.276435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.276435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.276435 (E_RNA)
where:
Base-Base interactions energy: -694.801
where: short stacking energy: -298.264
Base-Backbone interact. energy: 0.985
local terms energy: -292.459972
where:
bonds (distance) C4'-P energy: -54.686
bonds (distance) P-C4' energy: -59.448
flat angles C4'-P-C4' energy: -52.769
flat angles P-C4'-P energy: -47.367
tors. eta vs tors. theta energy: -78.190
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -917.813624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.813624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.813624 (E_RNA)
where:
Base-Base interactions energy: -610.518
where: short stacking energy: -269.874
Base-Backbone interact. energy: -1.981
local terms energy: -305.314985
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -64.835
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -72.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -831.091919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.091919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.091919 (E_RNA)
where:
Base-Base interactions energy: -572.972
where: short stacking energy: -250.175
Base-Backbone interact. energy: 2.255
local terms energy: -260.375145
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -51.952
flat angles C4'-P-C4' energy: -62.989
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -54.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -814.154514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.154514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.154514 (E_RNA)
where:
Base-Base interactions energy: -583.519
where: short stacking energy: -238.036
Base-Backbone interact. energy: -0.241
local terms energy: -230.394682
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -59.613
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -60.585
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: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -654.650390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.650390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.650390 (E_RNA)
where:
Base-Base interactions energy: -425.211
where: short stacking energy: -172.227
Base-Backbone interact. energy: -2.946
local terms energy: -226.494050
where:
bonds (distance) C4'-P energy: -42.303
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -52.861
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -35.519
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: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -447.609732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.609732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.609732 (E_RNA)
where:
Base-Base interactions energy: -257.323
where: short stacking energy: -142.737
Base-Backbone interact. energy: 0.294
local terms energy: -190.580395
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -51.631
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -19.333
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: 137
Temperature: 1.350000
Total energy: -448.778006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.778006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.778006 (E_RNA)
where:
Base-Base interactions energy: -252.637
where: short stacking energy: -133.714
Base-Backbone interact. energy: 1.340
local terms energy: -197.481584
where:
bonds (distance) C4'-P energy: -53.154
bonds (distance) P-C4' energy: -53.947
flat angles C4'-P-C4' energy: -44.923
flat angles P-C4'-P energy: -31.661
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1076.488371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.488371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.488371 (E_RNA)
where:
Base-Base interactions energy: -753.894
where: short stacking energy: -342.334
Base-Backbone interact. energy: 1.394
local terms energy: -323.988124
where:
bonds (distance) C4'-P energy: -59.056
bonds (distance) P-C4' energy: -53.576
flat angles C4'-P-C4' energy: -70.489
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -92.368
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: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1076.622036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.622036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.622036 (E_RNA)
where:
Base-Base interactions energy: -747.772
where: short stacking energy: -325.420
Base-Backbone interact. energy: -2.433
local terms energy: -326.416893
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -66.109
flat angles C4'-P-C4' energy: -62.262
flat angles P-C4'-P energy: -45.066
tors. eta vs tors. theta energy: -95.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -998.872733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.872733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.872733 (E_RNA)
where:
Base-Base interactions energy: -705.300
where: short stacking energy: -315.149
Base-Backbone interact. energy: -0.749
local terms energy: -292.823958
where:
bonds (distance) C4'-P energy: -55.999
bonds (distance) P-C4' energy: -54.606
flat angles C4'-P-C4' energy: -59.060
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -81.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -973.862802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.862802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.862802 (E_RNA)
where:
Base-Base interactions energy: -681.766
where: short stacking energy: -281.264
Base-Backbone interact. energy: -1.637
local terms energy: -290.460025
where:
bonds (distance) C4'-P energy: -56.155
bonds (distance) P-C4' energy: -61.545
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -37.914
tors. eta vs tors. theta energy: -70.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -920.441193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.441193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.441193 (E_RNA)
where:
Base-Base interactions energy: -632.526
where: short stacking energy: -276.096
Base-Backbone interact. energy: -0.824
local terms energy: -287.091989
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -59.098
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -70.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -822.501063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.501063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.501063 (E_RNA)
where:
Base-Base interactions energy: -576.825
where: short stacking energy: -259.741
Base-Backbone interact. energy: -2.222
local terms energy: -243.453460
where:
bonds (distance) C4'-P energy: -43.269
bonds (distance) P-C4' energy: -40.098
flat angles C4'-P-C4' energy: -59.278
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -61.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -788.776610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.776610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.776610 (E_RNA)
where:
Base-Base interactions energy: -540.262
where: short stacking energy: -238.448
Base-Backbone interact. energy: -0.747
local terms energy: -247.767764
where:
bonds (distance) C4'-P energy: -48.331
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -61.418
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -53.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -683.858448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.858448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.858448 (E_RNA)
where:
Base-Base interactions energy: -445.636
where: short stacking energy: -201.506
Base-Backbone interact. energy: -0.772
local terms energy: -237.450284
where:
bonds (distance) C4'-P energy: -46.094
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -57.698
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -38.251
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: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -512.961825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.961825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.961825 (E_RNA)
where:
Base-Base interactions energy: -309.690
where: short stacking energy: -149.555
Base-Backbone interact. energy: -0.111
local terms energy: -203.160370
where:
bonds (distance) C4'-P energy: -49.506
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -46.829
flat angles P-C4'-P energy: -33.843
tors. eta vs tors. theta energy: -22.874
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: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -494.066321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.066321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.066321 (E_RNA)
where:
Base-Base interactions energy: -302.007
where: short stacking energy: -143.595
Base-Backbone interact. energy: -1.853
local terms energy: -190.205691
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -51.903
flat angles C4'-P-C4' energy: -38.115
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -26.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1096.501953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.501953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.501953 (E_RNA)
where:
Base-Base interactions energy: -774.117
where: short stacking energy: -342.273
Base-Backbone interact. energy: -0.047
local terms energy: -322.338375
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -56.971
flat angles C4'-P-C4' energy: -69.696
flat angles P-C4'-P energy: -37.958
tors. eta vs tors. theta energy: -94.254
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: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1017.842405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.842405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.842405 (E_RNA)
where:
Base-Base interactions energy: -695.698
where: short stacking energy: -298.166
Base-Backbone interact. energy: 0.103
local terms energy: -322.247016
where:
bonds (distance) C4'-P energy: -66.402
bonds (distance) P-C4' energy: -65.223
flat angles C4'-P-C4' energy: -71.163
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -78.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1051.566809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.566809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.566809 (E_RNA)
where:
Base-Base interactions energy: -740.170
where: short stacking energy: -320.377
Base-Backbone interact. energy: -1.901
local terms energy: -309.496301
where:
bonds (distance) C4'-P energy: -52.815
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -36.183
tors. eta vs tors. theta energy: -94.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -977.141289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.141289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.141289 (E_RNA)
where:
Base-Base interactions energy: -673.025
where: short stacking energy: -278.759
Base-Backbone interact. energy: -2.181
local terms energy: -301.935586
where:
bonds (distance) C4'-P energy: -62.316
bonds (distance) P-C4' energy: -53.736
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -46.996
tors. eta vs tors. theta energy: -68.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -934.320272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.320272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.320272 (E_RNA)
where:
Base-Base interactions energy: -644.007
where: short stacking energy: -292.458
Base-Backbone interact. energy: -0.988
local terms energy: -289.324717
where:
bonds (distance) C4'-P energy: -58.937
bonds (distance) P-C4' energy: -54.026
flat angles C4'-P-C4' energy: -66.260
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -80.891
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: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -852.036847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.036847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.036847 (E_RNA)
where:
Base-Base interactions energy: -595.340
where: short stacking energy: -268.106
Base-Backbone interact. energy: -0.448
local terms energy: -256.248761
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -51.131
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: -67.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -825.439465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.439465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.439465 (E_RNA)
where:
Base-Base interactions energy: -574.185
where: short stacking energy: -238.992
Base-Backbone interact. energy: -1.192
local terms energy: -250.062199
where:
bonds (distance) C4'-P energy: -45.766
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -53.350
flat angles P-C4'-P energy: -38.188
tors. eta vs tors. theta energy: -66.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -684.991306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.991306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.991306 (E_RNA)
where:
Base-Base interactions energy: -448.629
where: short stacking energy: -214.653
Base-Backbone interact. energy: -1.519
local terms energy: -234.843179
where:
bonds (distance) C4'-P energy: -45.561
bonds (distance) P-C4' energy: -54.985
flat angles C4'-P-C4' energy: -57.776
flat angles P-C4'-P energy: -31.060
tors. eta vs tors. theta energy: -45.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -532.579833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.579833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.579833 (E_RNA)
where:
Base-Base interactions energy: -335.686
where: short stacking energy: -145.345
Base-Backbone interact. energy: 0.813
local terms energy: -197.706359
where:
bonds (distance) C4'-P energy: -45.852
bonds (distance) P-C4' energy: -53.364
flat angles C4'-P-C4' energy: -51.421
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -26.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -500.726877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.726877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.726877 (E_RNA)
where:
Base-Base interactions energy: -305.634
where: short stacking energy: -148.762
Base-Backbone interact. energy: -0.731
local terms energy: -194.361857
where:
bonds (distance) C4'-P energy: -43.667
bonds (distance) P-C4' energy: -45.245
flat angles C4'-P-C4' energy: -59.338
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1089.803367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.803367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.803367 (E_RNA)
where:
Base-Base interactions energy: -757.270
where: short stacking energy: -346.568
Base-Backbone interact. energy: -1.449
local terms energy: -331.084349
where:
bonds (distance) C4'-P energy: -61.260
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -71.012
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -98.687
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1026.984618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.984618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.984618 (E_RNA)
where:
Base-Base interactions energy: -717.740
where: short stacking energy: -305.267
Base-Backbone interact. energy: 1.776
local terms energy: -311.020924
where:
bonds (distance) C4'-P energy: -63.889
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -67.288
flat angles P-C4'-P energy: -44.001
tors. eta vs tors. theta energy: -76.864
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: 140
Temperature: 1.000000
Total energy: -1049.039852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.039852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.039852 (E_RNA)
where:
Base-Base interactions energy: -723.218
where: short stacking energy: -318.495
Base-Backbone interact. energy: -0.609
local terms energy: -325.212785
where:
bonds (distance) C4'-P energy: -56.199
bonds (distance) P-C4' energy: -59.082
flat angles C4'-P-C4' energy: -69.258
flat angles P-C4'-P energy: -52.874
tors. eta vs tors. theta energy: -87.800
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: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -966.124028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.124028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.124028 (E_RNA)
where:
Base-Base interactions energy: -669.222
where: short stacking energy: -286.473
Base-Backbone interact. energy: 2.674
local terms energy: -299.575747
where:
bonds (distance) C4'-P energy: -62.644
bonds (distance) P-C4' energy: -57.665
flat angles C4'-P-C4' energy: -65.642
flat angles P-C4'-P energy: -42.273
tors. eta vs tors. theta energy: -71.352
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -835.763348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.763348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.763348 (E_RNA)
where:
Base-Base interactions energy: -567.545
where: short stacking energy: -219.396
Base-Backbone interact. energy: -0.526
local terms energy: -267.692496
where:
bonds (distance) C4'-P energy: -61.699
bonds (distance) P-C4' energy: -52.731
flat angles C4'-P-C4' energy: -53.880
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -65.181
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: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -860.908587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.908587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.908587 (E_RNA)
where:
Base-Base interactions energy: -595.799
where: short stacking energy: -261.802
Base-Backbone interact. energy: 1.316
local terms energy: -266.426127
where:
bonds (distance) C4'-P energy: -53.320
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: -70.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -803.613015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.613015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.613015 (E_RNA)
where:
Base-Base interactions energy: -539.710
where: short stacking energy: -233.555
Base-Backbone interact. energy: -3.188
local terms energy: -260.715358
where:
bonds (distance) C4'-P energy: -50.609
bonds (distance) P-C4' energy: -46.911
flat angles C4'-P-C4' energy: -57.941
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: -59.237
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: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -638.273694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.273694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.273694 (E_RNA)
where:
Base-Base interactions energy: -418.599
where: short stacking energy: -170.315
Base-Backbone interact. energy: -0.826
local terms energy: -218.849244
where:
bonds (distance) C4'-P energy: -52.615
bonds (distance) P-C4' energy: -50.017
flat angles C4'-P-C4' energy: -49.316
flat angles P-C4'-P energy: -28.523
tors. eta vs tors. theta energy: -38.378
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: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -512.448942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.448942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.448942 (E_RNA)
where:
Base-Base interactions energy: -296.633
where: short stacking energy: -144.727
Base-Backbone interact. energy: -1.870
local terms energy: -213.946242
where:
bonds (distance) C4'-P energy: -52.309
bonds (distance) P-C4' energy: -59.224
flat angles C4'-P-C4' energy: -53.082
flat angles P-C4'-P energy: -31.759
tors. eta vs tors. theta energy: -17.573
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: 140
Temperature: 1.350000
Total energy: -556.045199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.045199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.045199 (E_RNA)
where:
Base-Base interactions energy: -366.347
where: short stacking energy: -176.123
Base-Backbone interact. energy: 0.794
local terms energy: -190.492488
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -39.724
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: -26.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1082.606395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.606395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.606395 (E_RNA)
where:
Base-Base interactions energy: -747.204
where: short stacking energy: -336.619
Base-Backbone interact. energy: -1.587
local terms energy: -333.815888
where:
bonds (distance) C4'-P energy: -62.320
bonds (distance) P-C4' energy: -60.517
flat angles C4'-P-C4' energy: -70.791
flat angles P-C4'-P energy: -44.853
tors. eta vs tors. theta energy: -95.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1071.716701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.716701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.716701 (E_RNA)
where:
Base-Base interactions energy: -759.147
where: short stacking energy: -321.828
Base-Backbone interact. energy: -1.019
local terms energy: -311.551250
where:
bonds (distance) C4'-P energy: -59.664
bonds (distance) P-C4' energy: -53.595
flat angles C4'-P-C4' energy: -63.345
flat angles P-C4'-P energy: -39.422
tors. eta vs tors. theta energy: -95.525
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: 141
Temperature: 1.000000
Total energy: -1029.330346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.330346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.330346 (E_RNA)
where:
Base-Base interactions energy: -729.696
where: short stacking energy: -307.717
Base-Backbone interact. energy: -0.453
local terms energy: -299.181722
where:
bonds (distance) C4'-P energy: -56.733
bonds (distance) P-C4' energy: -65.168
flat angles C4'-P-C4' energy: -60.488
flat angles P-C4'-P energy: -41.492
tors. eta vs tors. theta energy: -75.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -961.063203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.063203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.063203 (E_RNA)
where:
Base-Base interactions energy: -660.603
where: short stacking energy: -277.405
Base-Backbone interact. energy: -0.462
local terms energy: -299.998085
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -58.873
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -72.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -894.656169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.656169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.656169 (E_RNA)
where:
Base-Base interactions energy: -621.773
where: short stacking energy: -260.872
Base-Backbone interact. energy: -1.501
local terms energy: -271.382565
where:
bonds (distance) C4'-P energy: -46.792
bonds (distance) P-C4' energy: -53.676
flat angles C4'-P-C4' energy: -57.318
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -73.931
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: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -873.344657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.344657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.344657 (E_RNA)
where:
Base-Base interactions energy: -609.691
where: short stacking energy: -263.618
Base-Backbone interact. energy: 1.641
local terms energy: -265.295219
where:
bonds (distance) C4'-P energy: -54.503
bonds (distance) P-C4' energy: -60.394
flat angles C4'-P-C4' energy: -54.089
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -64.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -804.519923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.519923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.519923 (E_RNA)
where:
Base-Base interactions energy: -551.086
where: short stacking energy: -243.772
Base-Backbone interact. energy: -0.160
local terms energy: -253.273913
where:
bonds (distance) C4'-P energy: -45.236
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -54.994
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -66.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -690.255156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.255156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.255156 (E_RNA)
where:
Base-Base interactions energy: -448.560
where: short stacking energy: -206.489
Base-Backbone interact. energy: -0.892
local terms energy: -240.802546
where:
bonds (distance) C4'-P energy: -56.289
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -534.328986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.328986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.328986 (E_RNA)
where:
Base-Base interactions energy: -335.763
where: short stacking energy: -157.969
Base-Backbone interact. energy: 3.981
local terms energy: -202.547343
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -48.937
flat angles C4'-P-C4' energy: -49.997
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -18.380
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: 141
Temperature: 1.350000
Total energy: -570.146182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.146182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.146182 (E_RNA)
where:
Base-Base interactions energy: -358.483
where: short stacking energy: -155.598
Base-Backbone interact. energy: 0.927
local terms energy: -212.589790
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -61.361
flat angles C4'-P-C4' energy: -43.858
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -29.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1081.522205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.522205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.522205 (E_RNA)
where:
Base-Base interactions energy: -761.546
where: short stacking energy: -339.684
Base-Backbone interact. energy: -0.242
local terms energy: -319.734815
where:
bonds (distance) C4'-P energy: -62.534
bonds (distance) P-C4' energy: -56.255
flat angles C4'-P-C4' energy: -67.110
flat angles P-C4'-P energy: -43.238
tors. eta vs tors. theta energy: -90.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1084.490487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.490487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.490487 (E_RNA)
where:
Base-Base interactions energy: -744.094
where: short stacking energy: -333.760
Base-Backbone interact. energy: -3.432
local terms energy: -336.964516
where:
bonds (distance) C4'-P energy: -56.569
bonds (distance) P-C4' energy: -63.415
flat angles C4'-P-C4' energy: -71.681
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -95.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1020.964878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.964878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.964878 (E_RNA)
where:
Base-Base interactions energy: -735.625
where: short stacking energy: -291.086
Base-Backbone interact. energy: 0.002
local terms energy: -285.341923
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -64.365
flat angles C4'-P-C4' energy: -62.906
flat angles P-C4'-P energy: -39.297
tors. eta vs tors. theta energy: -70.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -981.044965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.044965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.044965 (E_RNA)
where:
Base-Base interactions energy: -685.250
where: short stacking energy: -304.509
Base-Backbone interact. energy: -2.807
local terms energy: -292.988125
where:
bonds (distance) C4'-P energy: -60.537
bonds (distance) P-C4' energy: -47.951
flat angles C4'-P-C4' energy: -59.604
flat angles P-C4'-P energy: -45.565
tors. eta vs tors. theta energy: -79.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -898.466874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.466874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.466874 (E_RNA)
where:
Base-Base interactions energy: -633.640
where: short stacking energy: -290.479
Base-Backbone interact. energy: 1.048
local terms energy: -265.874694
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -62.030
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -68.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -897.118592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.118592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.118592 (E_RNA)
where:
Base-Base interactions energy: -615.602
where: short stacking energy: -255.871
Base-Backbone interact. energy: -1.150
local terms energy: -280.366340
where:
bonds (distance) C4'-P energy: -61.092
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -38.324
tors. eta vs tors. theta energy: -76.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -793.971415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.971415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.971415 (E_RNA)
where:
Base-Base interactions energy: -547.156
where: short stacking energy: -265.186
Base-Backbone interact. energy: -1.705
local terms energy: -245.110220
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -52.145
flat angles C4'-P-C4' energy: -64.376
flat angles P-C4'-P energy: -38.363
tors. eta vs tors. theta energy: -61.687
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: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -698.518869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.518869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.518869 (E_RNA)
where:
Base-Base interactions energy: -464.356
where: short stacking energy: -217.967
Base-Backbone interact. energy: 0.107
local terms energy: -234.269953
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -44.935
flat angles C4'-P-C4' energy: -58.001
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: -42.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -595.980308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.980308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.980308 (E_RNA)
where:
Base-Base interactions energy: -380.371
where: short stacking energy: -182.939
Base-Backbone interact. energy: -0.278
local terms energy: -215.331289
where:
bonds (distance) C4'-P energy: -33.180
bonds (distance) P-C4' energy: -53.919
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -497.084137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.084137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.084137 (E_RNA)
where:
Base-Base interactions energy: -299.707
where: short stacking energy: -138.923
Base-Backbone interact. energy: -1.688
local terms energy: -195.688867
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -49.129
flat angles C4'-P-C4' energy: -58.838
flat angles P-C4'-P energy: -30.173
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1086.293938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.293938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.293938 (E_RNA)
where:
Base-Base interactions energy: -761.703
where: short stacking energy: -336.513
Base-Backbone interact. energy: -0.635
local terms energy: -323.956448
where:
bonds (distance) C4'-P energy: -61.430
bonds (distance) P-C4' energy: -56.477
flat angles C4'-P-C4' energy: -65.102
flat angles P-C4'-P energy: -40.745
tors. eta vs tors. theta energy: -100.203
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1046.311566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.311566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.311566 (E_RNA)
where:
Base-Base interactions energy: -739.747
where: short stacking energy: -310.389
Base-Backbone interact. energy: -0.929
local terms energy: -305.635559
where:
bonds (distance) C4'-P energy: -50.699
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -65.265
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -80.249
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: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1037.612217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.612217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.612217 (E_RNA)
where:
Base-Base interactions energy: -723.919
where: short stacking energy: -309.193
Base-Backbone interact. energy: -1.701
local terms energy: -311.991819
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -58.003
flat angles C4'-P-C4' energy: -69.053
flat angles P-C4'-P energy: -50.653
tors. eta vs tors. theta energy: -86.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1005.962749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.962749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.962749 (E_RNA)
where:
Base-Base interactions energy: -711.239
where: short stacking energy: -297.970
Base-Backbone interact. energy: 0.341
local terms energy: -295.065133
where:
bonds (distance) C4'-P energy: -61.392
bonds (distance) P-C4' energy: -45.065
flat angles C4'-P-C4' energy: -65.828
flat angles P-C4'-P energy: -40.218
tors. eta vs tors. theta energy: -82.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -913.494256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.494256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.494256 (E_RNA)
where:
Base-Base interactions energy: -631.865
where: short stacking energy: -280.828
Base-Backbone interact. energy: 1.082
local terms energy: -282.711521
where:
bonds (distance) C4'-P energy: -52.434
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -39.854
tors. eta vs tors. theta energy: -75.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -848.379563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.379563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.379563 (E_RNA)
where:
Base-Base interactions energy: -568.330
where: short stacking energy: -239.551
Base-Backbone interact. energy: -0.221
local terms energy: -279.828498
where:
bonds (distance) C4'-P energy: -52.443
bonds (distance) P-C4' energy: -58.563
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: -72.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -811.913270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.913270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.913270 (E_RNA)
where:
Base-Base interactions energy: -555.213
where: short stacking energy: -241.357
Base-Backbone interact. energy: -1.282
local terms energy: -255.419007
where:
bonds (distance) C4'-P energy: -45.792
bonds (distance) P-C4' energy: -55.885
flat angles C4'-P-C4' energy: -57.182
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -62.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -690.695631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.695631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.695631 (E_RNA)
where:
Base-Base interactions energy: -445.944
where: short stacking energy: -204.356
Base-Backbone interact. energy: -0.521
local terms energy: -244.229927
where:
bonds (distance) C4'-P energy: -52.302
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -63.373
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -44.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -564.996907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.996907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.996907 (E_RNA)
where:
Base-Base interactions energy: -348.085
where: short stacking energy: -156.333
Base-Backbone interact. energy: -0.079
local terms energy: -216.832594
where:
bonds (distance) C4'-P energy: -49.895
bonds (distance) P-C4' energy: -59.060
flat angles C4'-P-C4' energy: -58.692
flat angles P-C4'-P energy: -29.010
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -508.190787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.190787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.190787 (E_RNA)
where:
Base-Base interactions energy: -303.245
where: short stacking energy: -149.400
Base-Backbone interact. energy: 0.432
local terms energy: -205.377727
where:
bonds (distance) C4'-P energy: -47.072
bonds (distance) P-C4' energy: -56.949
flat angles C4'-P-C4' energy: -45.367
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -18.428
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: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1094.295265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.295265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.295265 (E_RNA)
where:
Base-Base interactions energy: -781.358
where: short stacking energy: -347.047
Base-Backbone interact. energy: -1.035
local terms energy: -311.902241
where:
bonds (distance) C4'-P energy: -59.974
bonds (distance) P-C4' energy: -65.274
flat angles C4'-P-C4' energy: -64.630
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -88.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1060.914054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.914054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.914054 (E_RNA)
where:
Base-Base interactions energy: -739.950
where: short stacking energy: -304.993
Base-Backbone interact. energy: -1.230
local terms energy: -319.733724
where:
bonds (distance) C4'-P energy: -63.444
bonds (distance) P-C4' energy: -56.423
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -85.687
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: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1059.650257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.650257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.650257 (E_RNA)
where:
Base-Base interactions energy: -734.760
where: short stacking energy: -321.068
Base-Backbone interact. energy: -2.469
local terms energy: -322.421661
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -58.693
flat angles C4'-P-C4' energy: -65.672
flat angles P-C4'-P energy: -47.976
tors. eta vs tors. theta energy: -96.131
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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -975.348478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.348478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.348478 (E_RNA)
where:
Base-Base interactions energy: -690.332
where: short stacking energy: -292.400
Base-Backbone interact. energy: -0.336
local terms energy: -284.679966
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -59.342
flat angles C4'-P-C4' energy: -60.859
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -76.761
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: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -907.890779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.890779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.890779 (E_RNA)
where:
Base-Base interactions energy: -623.831
where: short stacking energy: -273.169
Base-Backbone interact. energy: 0.835
local terms energy: -284.895498
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -30.941
tors. eta vs tors. theta energy: -78.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -807.694674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.694674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.694674 (E_RNA)
where:
Base-Base interactions energy: -552.402
where: short stacking energy: -234.680
Base-Backbone interact. energy: 0.401
local terms energy: -255.693432
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -59.082
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -63.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -832.396209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.396209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.396209 (E_RNA)
where:
Base-Base interactions energy: -567.402
where: short stacking energy: -251.754
Base-Backbone interact. energy: -2.071
local terms energy: -262.922883
where:
bonds (distance) C4'-P energy: -50.204
bonds (distance) P-C4' energy: -57.792
flat angles C4'-P-C4' energy: -54.422
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -64.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -726.051001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.051001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.051001 (E_RNA)
where:
Base-Base interactions energy: -477.295
where: short stacking energy: -212.662
Base-Backbone interact. energy: -0.858
local terms energy: -247.898726
where:
bonds (distance) C4'-P energy: -52.807
bonds (distance) P-C4' energy: -55.599
flat angles C4'-P-C4' energy: -61.214
flat angles P-C4'-P energy: -33.470
tors. eta vs tors. theta energy: -44.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -570.455424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.455424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.455424 (E_RNA)
where:
Base-Base interactions energy: -346.850
where: short stacking energy: -171.695
Base-Backbone interact. energy: 0.892
local terms energy: -224.497380
where:
bonds (distance) C4'-P energy: -56.837
bonds (distance) P-C4' energy: -42.902
flat angles C4'-P-C4' energy: -54.763
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: -33.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -486.353585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.353585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.353585 (E_RNA)
where:
Base-Base interactions energy: -310.454
where: short stacking energy: -140.002
Base-Backbone interact. energy: 1.122
local terms energy: -177.021770
where:
bonds (distance) C4'-P energy: -48.701
bonds (distance) P-C4' energy: -48.166
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -31.207
tors. eta vs tors. theta energy: -11.726
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1088.931515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.931515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.931515 (E_RNA)
where:
Base-Base interactions energy: -761.163
where: short stacking energy: -345.439
Base-Backbone interact. energy: 0.141
local terms energy: -327.908959
where:
bonds (distance) C4'-P energy: -61.550
bonds (distance) P-C4' energy: -68.314
flat angles C4'-P-C4' energy: -70.613
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -92.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1084.422595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.422595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.422595 (E_RNA)
where:
Base-Base interactions energy: -738.195
where: short stacking energy: -324.245
Base-Backbone interact. energy: -1.505
local terms energy: -344.722861
where:
bonds (distance) C4'-P energy: -64.222
bonds (distance) P-C4' energy: -63.708
flat angles C4'-P-C4' energy: -68.874
flat angles P-C4'-P energy: -54.552
tors. eta vs tors. theta energy: -93.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1053.556585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.556585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.556585 (E_RNA)
where:
Base-Base interactions energy: -741.861
where: short stacking energy: -299.964
Base-Backbone interact. energy: -1.623
local terms energy: -310.072201
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -71.899
flat angles P-C4'-P energy: -45.734
tors. eta vs tors. theta energy: -79.753
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -950.994634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.994634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.994634 (E_RNA)
where:
Base-Base interactions energy: -671.682
where: short stacking energy: -286.591
Base-Backbone interact. energy: 2.563
local terms energy: -281.875558
where:
bonds (distance) C4'-P energy: -60.263
bonds (distance) P-C4' energy: -48.975
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -38.591
tors. eta vs tors. theta energy: -73.623
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: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -910.909223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.909223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.909223 (E_RNA)
where:
Base-Base interactions energy: -625.215
where: short stacking energy: -266.998
Base-Backbone interact. energy: 1.751
local terms energy: -287.445616
where:
bonds (distance) C4'-P energy: -61.627
bonds (distance) P-C4' energy: -56.395
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: -66.946
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: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -843.440304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.440304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.440304 (E_RNA)
where:
Base-Base interactions energy: -574.852
where: short stacking energy: -279.747
Base-Backbone interact. energy: -3.975
local terms energy: -264.613679
where:
bonds (distance) C4'-P energy: -46.626
bonds (distance) P-C4' energy: -48.204
flat angles C4'-P-C4' energy: -60.735
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -69.213
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: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -791.852229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.852229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.852229 (E_RNA)
where:
Base-Base interactions energy: -533.481
where: short stacking energy: -237.514
Base-Backbone interact. energy: -0.939
local terms energy: -257.431972
where:
bonds (distance) C4'-P energy: -46.925
bonds (distance) P-C4' energy: -51.800
flat angles C4'-P-C4' energy: -61.934
flat angles P-C4'-P energy: -35.708
tors. eta vs tors. theta energy: -61.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -693.781991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.781991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.781991 (E_RNA)
where:
Base-Base interactions energy: -455.761
where: short stacking energy: -199.468
Base-Backbone interact. energy: -0.228
local terms energy: -237.793768
where:
bonds (distance) C4'-P energy: -55.588
bonds (distance) P-C4' energy: -49.764
flat angles C4'-P-C4' energy: -54.222
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -44.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -564.447692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.447692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.447692 (E_RNA)
where:
Base-Base interactions energy: -351.297
where: short stacking energy: -172.039
Base-Backbone interact. energy: 2.919
local terms energy: -216.069870
where:
bonds (distance) C4'-P energy: -42.960
bonds (distance) P-C4' energy: -58.626
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -32.494
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: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -502.545633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.545633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.545633 (E_RNA)
where:
Base-Base interactions energy: -297.601
where: short stacking energy: -159.372
Base-Backbone interact. energy: -1.505
local terms energy: -203.439353
where:
bonds (distance) C4'-P energy: -48.908
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -39.102
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1111.150869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.150869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.150869 (E_RNA)
where:
Base-Base interactions energy: -775.682
where: short stacking energy: -345.554
Base-Backbone interact. energy: -1.158
local terms energy: -334.311024
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -66.363
flat angles C4'-P-C4' energy: -65.298
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -100.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1068.888181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.888181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.888181 (E_RNA)
where:
Base-Base interactions energy: -749.467
where: short stacking energy: -333.357
Base-Backbone interact. energy: -0.906
local terms energy: -318.514847
where:
bonds (distance) C4'-P energy: -57.057
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -49.654
tors. eta vs tors. theta energy: -93.700
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: 146
Temperature: 1.000000
Total energy: -1011.192003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.192003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.192003 (E_RNA)
where:
Base-Base interactions energy: -713.619
where: short stacking energy: -292.866
Base-Backbone interact. energy: -2.241
local terms energy: -295.331305
where:
bonds (distance) C4'-P energy: -61.470
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -63.071
flat angles P-C4'-P energy: -36.698
tors. eta vs tors. theta energy: -79.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -964.475747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.475747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.475747 (E_RNA)
where:
Base-Base interactions energy: -686.403
where: short stacking energy: -309.666
Base-Backbone interact. energy: 2.397
local terms energy: -280.469586
where:
bonds (distance) C4'-P energy: -39.956
bonds (distance) P-C4' energy: -59.201
flat angles C4'-P-C4' energy: -59.918
flat angles P-C4'-P energy: -39.254
tors. eta vs tors. theta energy: -82.141
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: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -913.374661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.374661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.374661 (E_RNA)
where:
Base-Base interactions energy: -628.948
where: short stacking energy: -307.945
Base-Backbone interact. energy: 0.374
local terms energy: -284.800080
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -59.209
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -79.200
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: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -839.278383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.278383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.278383 (E_RNA)
where:
Base-Base interactions energy: -567.539
where: short stacking energy: -247.148
Base-Backbone interact. energy: -0.265
local terms energy: -271.473726
where:
bonds (distance) C4'-P energy: -60.309
bonds (distance) P-C4' energy: -45.629
flat angles C4'-P-C4' energy: -66.572
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: -66.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -794.323450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.323450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.323450 (E_RNA)
where:
Base-Base interactions energy: -548.580
where: short stacking energy: -225.889
Base-Backbone interact. energy: -0.596
local terms energy: -245.147594
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -63.233
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -64.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -681.603227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.603227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.603227 (E_RNA)
where:
Base-Base interactions energy: -442.953
where: short stacking energy: -194.871
Base-Backbone interact. energy: 0.688
local terms energy: -239.338438
where:
bonds (distance) C4'-P energy: -42.301
bonds (distance) P-C4' energy: -59.504
flat angles C4'-P-C4' energy: -57.094
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -37.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -568.189373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.189373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.189373 (E_RNA)
where:
Base-Base interactions energy: -351.194
where: short stacking energy: -159.595
Base-Backbone interact. energy: -1.302
local terms energy: -215.693235
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -38.773
flat angles C4'-P-C4' energy: -59.490
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -38.460
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: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -512.231993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.231993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.231993 (E_RNA)
where:
Base-Base interactions energy: -335.939
where: short stacking energy: -147.181
Base-Backbone interact. energy: 3.676
local terms energy: -179.968834
where:
bonds (distance) C4'-P energy: -44.526
bonds (distance) P-C4' energy: -50.780
flat angles C4'-P-C4' energy: -44.672
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1085.986561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.986561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.986561 (E_RNA)
where:
Base-Base interactions energy: -767.285
where: short stacking energy: -322.412
Base-Backbone interact. energy: -1.125
local terms energy: -317.576276
where:
bonds (distance) C4'-P energy: -59.904
bonds (distance) P-C4' energy: -52.881
flat angles C4'-P-C4' energy: -73.882
flat angles P-C4'-P energy: -45.625
tors. eta vs tors. theta energy: -85.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1082.494663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.494663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.494663 (E_RNA)
where:
Base-Base interactions energy: -758.336
where: short stacking energy: -338.192
Base-Backbone interact. energy: -0.822
local terms energy: -323.336808
where:
bonds (distance) C4'-P energy: -57.851
bonds (distance) P-C4' energy: -61.309
flat angles C4'-P-C4' energy: -64.483
flat angles P-C4'-P energy: -45.205
tors. eta vs tors. theta energy: -94.489
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: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1012.503396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.503396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.503396 (E_RNA)
where:
Base-Base interactions energy: -715.238
where: short stacking energy: -310.562
Base-Backbone interact. energy: -1.294
local terms energy: -295.971226
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -53.364
flat angles C4'-P-C4' energy: -67.920
flat angles P-C4'-P energy: -40.711
tors. eta vs tors. theta energy: -78.819
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: 147
Temperature: 1.050000
Total energy: -989.256669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.256669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.256669 (E_RNA)
where:
Base-Base interactions energy: -681.381
where: short stacking energy: -313.220
Base-Backbone interact. energy: 1.419
local terms energy: -309.294692
where:
bonds (distance) C4'-P energy: -58.910
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -66.374
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: -86.648
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: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -887.965570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.965570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.965570 (E_RNA)
where:
Base-Base interactions energy: -626.356
where: short stacking energy: -268.687
Base-Backbone interact. energy: 0.051
local terms energy: -261.660956
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -60.114
flat angles C4'-P-C4' energy: -58.465
flat angles P-C4'-P energy: -36.390
tors. eta vs tors. theta energy: -65.850
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: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -878.114473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.114473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.114473 (E_RNA)
where:
Base-Base interactions energy: -592.427
where: short stacking energy: -252.140
Base-Backbone interact. energy: 2.006
local terms energy: -287.693311
where:
bonds (distance) C4'-P energy: -52.149
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -40.573
tors. eta vs tors. theta energy: -71.132
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: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -741.460549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.460549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.460549 (E_RNA)
where:
Base-Base interactions energy: -506.083
where: short stacking energy: -233.766
Base-Backbone interact. energy: 2.262
local terms energy: -237.639261
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -62.887
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -33.297
tors. eta vs tors. theta energy: -50.228
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: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -671.873741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.873741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.873741 (E_RNA)
where:
Base-Base interactions energy: -451.003
where: short stacking energy: -199.368
Base-Backbone interact. energy: 3.199
local terms energy: -224.069769
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -60.525
flat angles C4'-P-C4' energy: -53.073
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -38.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -610.125043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.125043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.125043 (E_RNA)
where:
Base-Base interactions energy: -386.964
where: short stacking energy: -184.655
Base-Backbone interact. energy: 0.756
local terms energy: -223.916618
where:
bonds (distance) C4'-P energy: -52.688
bonds (distance) P-C4' energy: -55.509
flat angles C4'-P-C4' energy: -54.033
flat angles P-C4'-P energy: -31.913
tors. eta vs tors. theta energy: -29.773
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: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -475.602964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.602964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.602964 (E_RNA)
where:
Base-Base interactions energy: -285.977
where: short stacking energy: -131.418
Base-Backbone interact. energy: 1.073
local terms energy: -190.698245
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -54.990
flat angles C4'-P-C4' energy: -43.550
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -12.168
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: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1117.369794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.369794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.369794 (E_RNA)
where:
Base-Base interactions energy: -777.289
where: short stacking energy: -349.694
Base-Backbone interact. energy: 0.601
local terms energy: -340.681456
where:
bonds (distance) C4'-P energy: -65.559
bonds (distance) P-C4' energy: -60.431
flat angles C4'-P-C4' energy: -71.453
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -98.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1071.950734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.950734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.950734 (E_RNA)
where:
Base-Base interactions energy: -741.903
where: short stacking energy: -313.210
Base-Backbone interact. energy: -1.241
local terms energy: -328.806493
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -63.061
flat angles C4'-P-C4' energy: -76.329
flat angles P-C4'-P energy: -52.016
tors. eta vs tors. theta energy: -82.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1011.300072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.300072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.300072 (E_RNA)
where:
Base-Base interactions energy: -700.001
where: short stacking energy: -311.085
Base-Backbone interact. energy: -2.006
local terms energy: -309.293178
where:
bonds (distance) C4'-P energy: -58.921
bonds (distance) P-C4' energy: -61.423
flat angles C4'-P-C4' energy: -57.111
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -89.046
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: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1002.322034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.322034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.322034 (E_RNA)
where:
Base-Base interactions energy: -692.219
where: short stacking energy: -295.715
Base-Backbone interact. energy: 2.540
local terms energy: -312.643013
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -61.405
flat angles C4'-P-C4' energy: -66.626
flat angles P-C4'-P energy: -50.687
tors. eta vs tors. theta energy: -78.234
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: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -901.359608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.359608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.359608 (E_RNA)
where:
Base-Base interactions energy: -612.421
where: short stacking energy: -279.067
Base-Backbone interact. energy: -1.625
local terms energy: -287.313442
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -57.736
flat angles P-C4'-P energy: -44.836
tors. eta vs tors. theta energy: -76.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -876.015663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.015663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.015663 (E_RNA)
where:
Base-Base interactions energy: -610.835
where: short stacking energy: -257.602
Base-Backbone interact. energy: 0.896
local terms energy: -266.076460
where:
bonds (distance) C4'-P energy: -60.648
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -61.096
flat angles P-C4'-P energy: -32.433
tors. eta vs tors. theta energy: -63.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -732.244408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.244408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.244408 (E_RNA)
where:
Base-Base interactions energy: -469.409
where: short stacking energy: -210.769
Base-Backbone interact. energy: -0.997
local terms energy: -261.838098
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -59.861
flat angles P-C4'-P energy: -38.130
tors. eta vs tors. theta energy: -56.404
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: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -685.134879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.134879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.134879 (E_RNA)
where:
Base-Base interactions energy: -449.079
where: short stacking energy: -189.339
Base-Backbone interact. energy: -0.086
local terms energy: -235.970269
where:
bonds (distance) C4'-P energy: -57.256
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -57.137
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -40.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -570.336491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.336491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.336491 (E_RNA)
where:
Base-Base interactions energy: -346.870
where: short stacking energy: -153.697
Base-Backbone interact. energy: -1.623
local terms energy: -221.843992
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -53.548
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: -31.275
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: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -522.415603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.415603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.415603 (E_RNA)
where:
Base-Base interactions energy: -320.564
where: short stacking energy: -150.731
Base-Backbone interact. energy: 1.965
local terms energy: -203.816511
where:
bonds (distance) C4'-P energy: -53.471
bonds (distance) P-C4' energy: -51.435
flat angles C4'-P-C4' energy: -55.143
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1094.486496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.486496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.486496 (E_RNA)
where:
Base-Base interactions energy: -765.110
where: short stacking energy: -329.270
Base-Backbone interact. energy: -2.255
local terms energy: -327.122012
where:
bonds (distance) C4'-P energy: -57.704
bonds (distance) P-C4' energy: -62.401
flat angles C4'-P-C4' energy: -73.662
flat angles P-C4'-P energy: -41.391
tors. eta vs tors. theta energy: -91.964
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: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1048.173347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.173347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.173347 (E_RNA)
where:
Base-Base interactions energy: -714.066
where: short stacking energy: -328.927
Base-Backbone interact. energy: 1.188
local terms energy: -335.295252
where:
bonds (distance) C4'-P energy: -59.510
bonds (distance) P-C4' energy: -58.569
flat angles C4'-P-C4' energy: -69.936
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -99.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1000.508149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.508149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.508149 (E_RNA)
where:
Base-Base interactions energy: -682.410
where: short stacking energy: -293.271
Base-Backbone interact. energy: -2.588
local terms energy: -315.510435
where:
bonds (distance) C4'-P energy: -60.170
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -69.504
flat angles P-C4'-P energy: -44.098
tors. eta vs tors. theta energy: -80.744
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: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1001.478925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.478925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.478925 (E_RNA)
where:
Base-Base interactions energy: -694.371
where: short stacking energy: -284.196
Base-Backbone interact. energy: -1.243
local terms energy: -305.864377
where:
bonds (distance) C4'-P energy: -63.247
bonds (distance) P-C4' energy: -62.987
flat angles C4'-P-C4' energy: -65.684
flat angles P-C4'-P energy: -37.116
tors. eta vs tors. theta energy: -76.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -866.621501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.621501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.621501 (E_RNA)
where:
Base-Base interactions energy: -578.641
where: short stacking energy: -262.004
Base-Backbone interact. energy: -2.684
local terms energy: -285.295663
where:
bonds (distance) C4'-P energy: -56.701
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -68.685
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -70.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -872.611001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.611001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.611001 (E_RNA)
where:
Base-Base interactions energy: -597.736
where: short stacking energy: -260.514
Base-Backbone interact. energy: -0.781
local terms energy: -274.094644
where:
bonds (distance) C4'-P energy: -51.767
bonds (distance) P-C4' energy: -59.535
flat angles C4'-P-C4' energy: -65.754
flat angles P-C4'-P energy: -43.667
tors. eta vs tors. theta energy: -53.372
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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -710.968606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.968606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.968606 (E_RNA)
where:
Base-Base interactions energy: -449.248
where: short stacking energy: -198.382
Base-Backbone interact. energy: -1.836
local terms energy: -259.884775
where:
bonds (distance) C4'-P energy: -60.575
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -66.411
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -38.254
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: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -664.050345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.050345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.050345 (E_RNA)
where:
Base-Base interactions energy: -429.289
where: short stacking energy: -183.441
Base-Backbone interact. energy: -2.709
local terms energy: -232.052262
where:
bonds (distance) C4'-P energy: -42.946
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -58.719
flat angles P-C4'-P energy: -44.468
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -589.528136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.528136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.528136 (E_RNA)
where:
Base-Base interactions energy: -375.222
where: short stacking energy: -190.692
Base-Backbone interact. energy: -1.993
local terms energy: -212.313103
where:
bonds (distance) C4'-P energy: -40.340
bonds (distance) P-C4' energy: -44.441
flat angles C4'-P-C4' energy: -59.459
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -30.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -467.095199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.095199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.095199 (E_RNA)
where:
Base-Base interactions energy: -280.158
where: short stacking energy: -149.412
Base-Backbone interact. energy: -2.015
local terms energy: -184.922457
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -41.363
flat angles C4'-P-C4' energy: -47.125
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1113.931703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.931703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.931703 (E_RNA)
where:
Base-Base interactions energy: -779.010
where: short stacking energy: -365.865
Base-Backbone interact. energy: -1.660
local terms energy: -333.261880
where:
bonds (distance) C4'-P energy: -62.084
bonds (distance) P-C4' energy: -59.058
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -100.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1074.081928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.081928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.081928 (E_RNA)
where:
Base-Base interactions energy: -735.318
where: short stacking energy: -339.107
Base-Backbone interact. energy: -0.451
local terms energy: -338.312171
where:
bonds (distance) C4'-P energy: -62.343
bonds (distance) P-C4' energy: -63.664
flat angles C4'-P-C4' energy: -65.865
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: -101.753
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: 150
Temperature: 1.000000
Total energy: -1040.328506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.328506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.328506 (E_RNA)
where:
Base-Base interactions energy: -734.590
where: short stacking energy: -317.400
Base-Backbone interact. energy: -1.669
local terms energy: -304.069433
where:
bonds (distance) C4'-P energy: -59.068
bonds (distance) P-C4' energy: -54.537
flat angles C4'-P-C4' energy: -65.167
flat angles P-C4'-P energy: -45.094
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: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1008.752863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.752863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.752863 (E_RNA)
where:
Base-Base interactions energy: -707.334
where: short stacking energy: -310.110
Base-Backbone interact. energy: -1.119
local terms energy: -300.299429
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -63.906
flat angles P-C4'-P energy: -38.241
tors. eta vs tors. theta energy: -89.185
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: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -898.706560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.706560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.706560 (E_RNA)
where:
Base-Base interactions energy: -631.025
where: short stacking energy: -268.376
Base-Backbone interact. energy: 1.058
local terms energy: -268.739870
where:
bonds (distance) C4'-P energy: -50.430
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -67.236
flat angles P-C4'-P energy: -38.293
tors. eta vs tors. theta energy: -71.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -872.443084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.443084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.443084 (E_RNA)
where:
Base-Base interactions energy: -617.600
where: short stacking energy: -258.053
Base-Backbone interact. energy: 0.219
local terms energy: -255.061994
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -46.550
flat angles C4'-P-C4' energy: -59.764
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: -61.166
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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -750.953973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.953973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.953973 (E_RNA)
where:
Base-Base interactions energy: -507.313
where: short stacking energy: -249.175
Base-Backbone interact. energy: -1.430
local terms energy: -242.210402
where:
bonds (distance) C4'-P energy: -45.295
bonds (distance) P-C4' energy: -49.729
flat angles C4'-P-C4' energy: -58.463
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -53.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -681.137415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.137415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.137415 (E_RNA)
where:
Base-Base interactions energy: -443.199
where: short stacking energy: -205.255
Base-Backbone interact. energy: -1.754
local terms energy: -236.184349
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -61.086
flat angles C4'-P-C4' energy: -53.625
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -39.645
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: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -584.894278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.894278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.894278 (E_RNA)
where:
Base-Base interactions energy: -370.162
where: short stacking energy: -171.802
Base-Backbone interact. energy: -0.496
local terms energy: -214.235892
where:
bonds (distance) C4'-P energy: -52.056
bonds (distance) P-C4' energy: -55.337
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -486.678044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.678044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.678044 (E_RNA)
where:
Base-Base interactions energy: -290.780
where: short stacking energy: -127.913
Base-Backbone interact. energy: -0.431
local terms energy: -195.467415
where:
bonds (distance) C4'-P energy: -56.610
bonds (distance) P-C4' energy: -41.880
flat angles C4'-P-C4' energy: -47.173
flat angles P-C4'-P energy: -32.469
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1103.421490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.421490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.421490 (E_RNA)
where:
Base-Base interactions energy: -764.680
where: short stacking energy: -336.613
Base-Backbone interact. energy: -1.357
local terms energy: -337.384696
where:
bonds (distance) C4'-P energy: -53.825
bonds (distance) P-C4' energy: -72.769
flat angles C4'-P-C4' energy: -66.604
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -101.481
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: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1074.023368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.023368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.023368 (E_RNA)
where:
Base-Base interactions energy: -765.331
where: short stacking energy: -320.775
Base-Backbone interact. energy: 0.398
local terms energy: -309.090493
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -60.389
flat angles C4'-P-C4' energy: -71.363
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -87.856
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: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1058.524920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.524920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.524920 (E_RNA)
where:
Base-Base interactions energy: -723.576
where: short stacking energy: -319.543
Base-Backbone interact. energy: -0.756
local terms energy: -334.193567
where:
bonds (distance) C4'-P energy: -63.283
bonds (distance) P-C4' energy: -61.580
flat angles C4'-P-C4' energy: -64.914
flat angles P-C4'-P energy: -42.051
tors. eta vs tors. theta energy: -102.366
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: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1013.867023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.867023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.867023 (E_RNA)
where:
Base-Base interactions energy: -701.919
where: short stacking energy: -302.984
Base-Backbone interact. energy: 0.760
local terms energy: -312.708792
where:
bonds (distance) C4'-P energy: -53.967
bonds (distance) P-C4' energy: -63.634
flat angles C4'-P-C4' energy: -68.336
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -85.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -907.871425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.871425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.871425 (E_RNA)
where:
Base-Base interactions energy: -616.755
where: short stacking energy: -262.543
Base-Backbone interact. energy: -0.582
local terms energy: -290.534777
where:
bonds (distance) C4'-P energy: -56.884
bonds (distance) P-C4' energy: -54.438
flat angles C4'-P-C4' energy: -61.211
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -74.380
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: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -862.186249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.186249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.186249 (E_RNA)
where:
Base-Base interactions energy: -589.680
where: short stacking energy: -254.846
Base-Backbone interact. energy: 1.299
local terms energy: -273.805219
where:
bonds (distance) C4'-P energy: -57.486
bonds (distance) P-C4' energy: -58.091
flat angles C4'-P-C4' energy: -61.208
flat angles P-C4'-P energy: -39.356
tors. eta vs tors. theta energy: -57.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -721.669986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.669986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.669986 (E_RNA)
where:
Base-Base interactions energy: -468.244
where: short stacking energy: -225.445
Base-Backbone interact. energy: -0.610
local terms energy: -252.816286
where:
bonds (distance) C4'-P energy: -51.038
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -55.337
flat angles P-C4'-P energy: -38.538
tors. eta vs tors. theta energy: -48.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -624.253902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.253902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.253902 (E_RNA)
where:
Base-Base interactions energy: -401.097
where: short stacking energy: -185.150
Base-Backbone interact. energy: -0.884
local terms energy: -222.273592
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -62.519
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -37.140
tors. eta vs tors. theta energy: -30.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -625.458211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.458211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.458211 (E_RNA)
where:
Base-Base interactions energy: -405.201
where: short stacking energy: -166.634
Base-Backbone interact. energy: 1.646
local terms energy: -221.903608
where:
bonds (distance) C4'-P energy: -42.697
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -49.458
flat angles P-C4'-P energy: -32.727
tors. eta vs tors. theta energy: -40.018
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: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -513.757154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.757154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.757154 (E_RNA)
where:
Base-Base interactions energy: -326.090
where: short stacking energy: -165.811
Base-Backbone interact. energy: -1.524
local terms energy: -186.142589
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -57.281
flat angles C4'-P-C4' energy: -49.201
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -11.488
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: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1102.800103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.800103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.800103 (E_RNA)
where:
Base-Base interactions energy: -769.198
where: short stacking energy: -319.049
Base-Backbone interact. energy: 1.171
local terms energy: -334.772819
where:
bonds (distance) C4'-P energy: -61.741
bonds (distance) P-C4' energy: -68.402
flat angles C4'-P-C4' energy: -68.783
flat angles P-C4'-P energy: -50.075
tors. eta vs tors. theta energy: -85.771
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: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1070.526579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.526579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.526579 (E_RNA)
where:
Base-Base interactions energy: -736.465
where: short stacking energy: -322.183
Base-Backbone interact. energy: -1.022
local terms energy: -333.040166
where:
bonds (distance) C4'-P energy: -60.606
bonds (distance) P-C4' energy: -61.245
flat angles C4'-P-C4' energy: -71.508
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: -91.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1046.399296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.399296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.399296 (E_RNA)
where:
Base-Base interactions energy: -729.423
where: short stacking energy: -317.390
Base-Backbone interact. energy: -1.372
local terms energy: -315.604025
where:
bonds (distance) C4'-P energy: -60.389
bonds (distance) P-C4' energy: -60.361
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -89.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -973.810271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.810271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.810271 (E_RNA)
where:
Base-Base interactions energy: -683.122
where: short stacking energy: -290.676
Base-Backbone interact. energy: -3.463
local terms energy: -287.225721
where:
bonds (distance) C4'-P energy: -59.463
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -59.358
flat angles P-C4'-P energy: -48.008
tors. eta vs tors. theta energy: -72.623
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: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -885.883245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.883245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.883245 (E_RNA)
where:
Base-Base interactions energy: -612.833
where: short stacking energy: -277.138
Base-Backbone interact. energy: 2.169
local terms energy: -275.219063
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -67.639
flat angles C4'-P-C4' energy: -65.731
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -62.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -839.918562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.918562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.918562 (E_RNA)
where:
Base-Base interactions energy: -562.881
where: short stacking energy: -244.664
Base-Backbone interact. energy: -1.188
local terms energy: -275.849447
where:
bonds (distance) C4'-P energy: -57.425
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -62.549
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -61.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -711.482118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.482118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.482118 (E_RNA)
where:
Base-Base interactions energy: -463.282
where: short stacking energy: -225.912
Base-Backbone interact. energy: 0.153
local terms energy: -248.353568
where:
bonds (distance) C4'-P energy: -46.344
bonds (distance) P-C4' energy: -54.284
flat angles C4'-P-C4' energy: -53.898
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -52.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -716.411888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.411888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.411888 (E_RNA)
where:
Base-Base interactions energy: -482.244
where: short stacking energy: -231.348
Base-Backbone interact. energy: -0.569
local terms energy: -233.598923
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -54.862
flat angles C4'-P-C4' energy: -50.473
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -55.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -603.797208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.797208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.797208 (E_RNA)
where:
Base-Base interactions energy: -398.261
where: short stacking energy: -182.192
Base-Backbone interact. energy: 2.329
local terms energy: -207.865019
where:
bonds (distance) C4'-P energy: -51.008
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -57.809
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -31.148
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: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -485.446145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.446145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.446145 (E_RNA)
where:
Base-Base interactions energy: -313.612
where: short stacking energy: -142.583
Base-Backbone interact. energy: -1.573
local terms energy: -170.261071
where:
bonds (distance) C4'-P energy: -47.875
bonds (distance) P-C4' energy: -41.086
flat angles C4'-P-C4' energy: -41.387
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1079.598884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.598884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.598884 (E_RNA)
where:
Base-Base interactions energy: -748.153
where: short stacking energy: -316.443
Base-Backbone interact. energy: -0.888
local terms energy: -330.557737
where:
bonds (distance) C4'-P energy: -65.151
bonds (distance) P-C4' energy: -64.580
flat angles C4'-P-C4' energy: -75.028
flat angles P-C4'-P energy: -45.742
tors. eta vs tors. theta energy: -80.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1072.957778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.957778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.957778 (E_RNA)
where:
Base-Base interactions energy: -744.832
where: short stacking energy: -331.511
Base-Backbone interact. energy: -0.963
local terms energy: -327.161981
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -61.475
flat angles C4'-P-C4' energy: -68.497
flat angles P-C4'-P energy: -46.397
tors. eta vs tors. theta energy: -94.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1053.153821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.153821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.153821 (E_RNA)
where:
Base-Base interactions energy: -721.147
where: short stacking energy: -321.815
Base-Backbone interact. energy: -1.047
local terms energy: -330.960573
where:
bonds (distance) C4'-P energy: -60.554
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -72.557
flat angles P-C4'-P energy: -45.845
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: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -991.855332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.855332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.855332 (E_RNA)
where:
Base-Base interactions energy: -697.269
where: short stacking energy: -303.663
Base-Backbone interact. energy: -2.086
local terms energy: -292.499840
where:
bonds (distance) C4'-P energy: -50.930
bonds (distance) P-C4' energy: -57.650
flat angles C4'-P-C4' energy: -62.057
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: -77.430
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: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -888.484409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.484409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.484409 (E_RNA)
where:
Base-Base interactions energy: -617.627
where: short stacking energy: -258.968
Base-Backbone interact. energy: 1.202
local terms energy: -272.059609
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -50.940
flat angles C4'-P-C4' energy: -59.609
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -57.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -864.915857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.915857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.915857 (E_RNA)
where:
Base-Base interactions energy: -587.286
where: short stacking energy: -261.258
Base-Backbone interact. energy: -2.385
local terms energy: -275.244894
where:
bonds (distance) C4'-P energy: -53.547
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -66.059
flat angles P-C4'-P energy: -43.120
tors. eta vs tors. theta energy: -62.064
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: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -693.102718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.102718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.102718 (E_RNA)
where:
Base-Base interactions energy: -442.982
where: short stacking energy: -203.264
Base-Backbone interact. energy: -2.045
local terms energy: -248.075302
where:
bonds (distance) C4'-P energy: -47.334
bonds (distance) P-C4' energy: -55.245
flat angles C4'-P-C4' energy: -55.885
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -49.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -723.320170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.320170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.320170 (E_RNA)
where:
Base-Base interactions energy: -488.066
where: short stacking energy: -215.962
Base-Backbone interact. energy: -0.388
local terms energy: -234.866802
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -54.744
flat angles P-C4'-P energy: -38.586
tors. eta vs tors. theta energy: -48.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -589.561286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.561286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.561286 (E_RNA)
where:
Base-Base interactions energy: -374.311
where: short stacking energy: -173.656
Base-Backbone interact. energy: 0.399
local terms energy: -215.648977
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -46.080
flat angles C4'-P-C4' energy: -54.772
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -30.660
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: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -484.993736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.993736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.993736 (E_RNA)
where:
Base-Base interactions energy: -277.332
where: short stacking energy: -131.676
Base-Backbone interact. energy: 1.869
local terms energy: -209.530569
where:
bonds (distance) C4'-P energy: -57.273
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -20.149
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: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1089.531331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.531331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.531331 (E_RNA)
where:
Base-Base interactions energy: -762.683
where: short stacking energy: -347.485
Base-Backbone interact. energy: -0.442
local terms energy: -326.406356
where:
bonds (distance) C4'-P energy: -56.606
bonds (distance) P-C4' energy: -60.996
flat angles C4'-P-C4' energy: -68.322
flat angles P-C4'-P energy: -45.043
tors. eta vs tors. theta energy: -95.439
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: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1036.732902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.732902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.732902 (E_RNA)
where:
Base-Base interactions energy: -733.286
where: short stacking energy: -296.164
Base-Backbone interact. energy: -3.286
local terms energy: -300.160888
where:
bonds (distance) C4'-P energy: -51.161
bonds (distance) P-C4' energy: -59.373
flat angles C4'-P-C4' energy: -65.425
flat angles P-C4'-P energy: -46.034
tors. eta vs tors. theta energy: -78.168
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: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1035.825892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.825892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.825892 (E_RNA)
where:
Base-Base interactions energy: -718.114
where: short stacking energy: -325.041
Base-Backbone interact. energy: -3.370
local terms energy: -314.341997
where:
bonds (distance) C4'-P energy: -56.124
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -63.942
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -93.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -980.918823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.918823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.918823 (E_RNA)
where:
Base-Base interactions energy: -679.770
where: short stacking energy: -290.895
Base-Backbone interact. energy: -2.018
local terms energy: -299.130899
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -65.334
flat angles C4'-P-C4' energy: -67.562
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: -78.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -860.501655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.501655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.501655 (E_RNA)
where:
Base-Base interactions energy: -574.388
where: short stacking energy: -262.734
Base-Backbone interact. energy: -0.832
local terms energy: -285.281316
where:
bonds (distance) C4'-P energy: -51.332
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -60.254
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -84.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -876.151137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.151137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.151137 (E_RNA)
where:
Base-Base interactions energy: -605.108
where: short stacking energy: -257.566
Base-Backbone interact. energy: 0.672
local terms energy: -271.715257
where:
bonds (distance) C4'-P energy: -55.440
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -63.555
flat angles P-C4'-P energy: -45.138
tors. eta vs tors. theta energy: -62.516
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: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -740.301189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.301189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.301189 (E_RNA)
where:
Base-Base interactions energy: -505.236
where: short stacking energy: -231.372
Base-Backbone interact. energy: -1.672
local terms energy: -233.392689
where:
bonds (distance) C4'-P energy: -51.811
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -48.868
flat angles P-C4'-P energy: -32.679
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: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -709.162532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.162532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.162532 (E_RNA)
where:
Base-Base interactions energy: -458.278
where: short stacking energy: -201.086
Base-Backbone interact. energy: -0.926
local terms energy: -249.958678
where:
bonds (distance) C4'-P energy: -54.150
bonds (distance) P-C4' energy: -60.021
flat angles C4'-P-C4' energy: -66.277
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -43.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -639.955659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.955659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.955659 (E_RNA)
where:
Base-Base interactions energy: -417.694
where: short stacking energy: -189.812
Base-Backbone interact. energy: -0.909
local terms energy: -221.352296
where:
bonds (distance) C4'-P energy: -49.067
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -57.808
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -37.935
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: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -506.538282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.538282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.538282 (E_RNA)
where:
Base-Base interactions energy: -304.664
where: short stacking energy: -159.705
Base-Backbone interact. energy: 2.259
local terms energy: -204.133667
where:
bonds (distance) C4'-P energy: -39.956
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -58.478
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1082.511337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.511337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.511337 (E_RNA)
where:
Base-Base interactions energy: -758.494
where: short stacking energy: -331.209
Base-Backbone interact. energy: -0.651
local terms energy: -323.366612
where:
bonds (distance) C4'-P energy: -48.776
bonds (distance) P-C4' energy: -61.507
flat angles C4'-P-C4' energy: -70.081
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -99.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1061.361889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.361889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.361889 (E_RNA)
where:
Base-Base interactions energy: -738.197
where: short stacking energy: -281.659
Base-Backbone interact. energy: -1.302
local terms energy: -321.862677
where:
bonds (distance) C4'-P energy: -63.653
bonds (distance) P-C4' energy: -64.869
flat angles C4'-P-C4' energy: -75.418
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -75.355
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: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1029.131194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.131194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.131194 (E_RNA)
where:
Base-Base interactions energy: -735.312
where: short stacking energy: -309.669
Base-Backbone interact. energy: -0.687
local terms energy: -293.132021
where:
bonds (distance) C4'-P energy: -53.649
bonds (distance) P-C4' energy: -59.031
flat angles C4'-P-C4' energy: -53.815
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -87.116
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: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -946.386403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.386403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.386403 (E_RNA)
where:
Base-Base interactions energy: -652.255
where: short stacking energy: -284.085
Base-Backbone interact. energy: -0.014
local terms energy: -294.118155
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -60.875
flat angles C4'-P-C4' energy: -58.513
flat angles P-C4'-P energy: -41.976
tors. eta vs tors. theta energy: -73.829
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: 155
Temperature: 1.100000
Total energy: -876.945065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.945065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.945065 (E_RNA)
where:
Base-Base interactions energy: -593.717
where: short stacking energy: -260.202
Base-Backbone interact. energy: -0.772
local terms energy: -282.456537
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -52.701
flat angles C4'-P-C4' energy: -61.877
flat angles P-C4'-P energy: -41.710
tors. eta vs tors. theta energy: -72.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -904.639774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.639774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.639774 (E_RNA)
where:
Base-Base interactions energy: -615.972
where: short stacking energy: -265.693
Base-Backbone interact. energy: -0.934
local terms energy: -287.734020
where:
bonds (distance) C4'-P energy: -60.477
bonds (distance) P-C4' energy: -54.172
flat angles C4'-P-C4' energy: -69.738
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -68.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -809.520135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.520135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.520135 (E_RNA)
where:
Base-Base interactions energy: -552.721
where: short stacking energy: -233.048
Base-Backbone interact. energy: -0.067
local terms energy: -256.731734
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -50.274
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -62.025
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: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -662.957189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.957189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.957189 (E_RNA)
where:
Base-Base interactions energy: -435.456
where: short stacking energy: -214.538
Base-Backbone interact. energy: 1.924
local terms energy: -229.425461
where:
bonds (distance) C4'-P energy: -33.505
bonds (distance) P-C4' energy: -53.182
flat angles C4'-P-C4' energy: -52.761
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -54.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -615.242216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.242216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.242216 (E_RNA)
where:
Base-Base interactions energy: -407.729
where: short stacking energy: -179.959
Base-Backbone interact. energy: 6.000
local terms energy: -213.513276
where:
bonds (distance) C4'-P energy: -41.250
bonds (distance) P-C4' energy: -57.167
flat angles C4'-P-C4' energy: -57.934
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -32.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -499.831001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.831001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.831001 (E_RNA)
where:
Base-Base interactions energy: -307.774
where: short stacking energy: -135.072
Base-Backbone interact. energy: -0.875
local terms energy: -191.182021
where:
bonds (distance) C4'-P energy: -36.614
bonds (distance) P-C4' energy: -57.915
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1085.916150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.916150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.916150 (E_RNA)
where:
Base-Base interactions energy: -738.231
where: short stacking energy: -323.984
Base-Backbone interact. energy: -1.994
local terms energy: -345.691134
where:
bonds (distance) C4'-P energy: -61.164
bonds (distance) P-C4' energy: -63.990
flat angles C4'-P-C4' energy: -69.387
flat angles P-C4'-P energy: -52.056
tors. eta vs tors. theta energy: -99.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1077.743427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.743427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.743427 (E_RNA)
where:
Base-Base interactions energy: -756.110
where: short stacking energy: -312.821
Base-Backbone interact. energy: -1.150
local terms energy: -320.483680
where:
bonds (distance) C4'-P energy: -61.796
bonds (distance) P-C4' energy: -57.626
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -48.289
tors. eta vs tors. theta energy: -85.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1060.071699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.071699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.071699 (E_RNA)
where:
Base-Base interactions energy: -748.491
where: short stacking energy: -322.726
Base-Backbone interact. energy: -0.667
local terms energy: -310.913196
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -60.022
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -96.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -959.833903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.833903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.833903 (E_RNA)
where:
Base-Base interactions energy: -670.218
where: short stacking energy: -294.360
Base-Backbone interact. energy: 0.520
local terms energy: -290.136400
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -62.738
flat angles P-C4'-P energy: -41.928
tors. eta vs tors. theta energy: -78.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -910.388628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.388628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.388628 (E_RNA)
where:
Base-Base interactions energy: -630.312
where: short stacking energy: -290.956
Base-Backbone interact. energy: 0.133
local terms energy: -280.209192
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -66.740
flat angles P-C4'-P energy: -41.481
tors. eta vs tors. theta energy: -71.952
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: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -847.629011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.629011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.629011 (E_RNA)
where:
Base-Base interactions energy: -556.764
where: short stacking energy: -259.998
Base-Backbone interact. energy: 0.111
local terms energy: -290.975480
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -61.538
flat angles C4'-P-C4' energy: -60.406
flat angles P-C4'-P energy: -33.239
tors. eta vs tors. theta energy: -74.283
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: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -861.931216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.931216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.931216 (E_RNA)
where:
Base-Base interactions energy: -593.341
where: short stacking energy: -270.066
Base-Backbone interact. energy: -0.313
local terms energy: -268.277002
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -49.288
flat angles C4'-P-C4' energy: -60.146
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -79.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -675.538548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.538548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.538548 (E_RNA)
where:
Base-Base interactions energy: -427.108
where: short stacking energy: -186.265
Base-Backbone interact. energy: 1.362
local terms energy: -249.793360
where:
bonds (distance) C4'-P energy: -45.741
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -66.342
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -41.134
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: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -633.875111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.875111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.875111 (E_RNA)
where:
Base-Base interactions energy: -414.107
where: short stacking energy: -194.083
Base-Backbone interact. energy: 2.678
local terms energy: -222.445621
where:
bonds (distance) C4'-P energy: -50.037
bonds (distance) P-C4' energy: -48.929
flat angles C4'-P-C4' energy: -51.859
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -37.081
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: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -445.509166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.509166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.509166 (E_RNA)
where:
Base-Base interactions energy: -248.111
where: short stacking energy: -133.076
Base-Backbone interact. energy: -0.876
local terms energy: -196.521844
where:
bonds (distance) C4'-P energy: -48.848
bonds (distance) P-C4' energy: -42.458
flat angles C4'-P-C4' energy: -52.017
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1096.503661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.503661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.503661 (E_RNA)
where:
Base-Base interactions energy: -755.741
where: short stacking energy: -354.411
Base-Backbone interact. energy: -1.850
local terms energy: -338.912438
where:
bonds (distance) C4'-P energy: -57.999
bonds (distance) P-C4' energy: -67.108
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -45.049
tors. eta vs tors. theta energy: -98.916
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: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1069.472608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.472608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.472608 (E_RNA)
where:
Base-Base interactions energy: -756.578
where: short stacking energy: -286.792
Base-Backbone interact. energy: -0.839
local terms energy: -312.056241
where:
bonds (distance) C4'-P energy: -61.294
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -64.583
flat angles P-C4'-P energy: -55.212
tors. eta vs tors. theta energy: -81.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1071.436272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.436272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.436272 (E_RNA)
where:
Base-Base interactions energy: -751.911
where: short stacking energy: -332.291
Base-Backbone interact. energy: -0.589
local terms energy: -318.935336
where:
bonds (distance) C4'-P energy: -57.378
bonds (distance) P-C4' energy: -60.769
flat angles C4'-P-C4' energy: -70.678
flat angles P-C4'-P energy: -37.508
tors. eta vs tors. theta energy: -92.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -952.371203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.371203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.371203 (E_RNA)
where:
Base-Base interactions energy: -655.816
where: short stacking energy: -276.251
Base-Backbone interact. energy: -1.176
local terms energy: -295.379777
where:
bonds (distance) C4'-P energy: -47.672
bonds (distance) P-C4' energy: -53.667
flat angles C4'-P-C4' energy: -63.716
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -82.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -894.480421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.480421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.480421 (E_RNA)
where:
Base-Base interactions energy: -604.704
where: short stacking energy: -254.134
Base-Backbone interact. energy: -0.840
local terms energy: -288.935967
where:
bonds (distance) C4'-P energy: -67.520
bonds (distance) P-C4' energy: -54.460
flat angles C4'-P-C4' energy: -56.255
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -65.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -885.849620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.849620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.849620 (E_RNA)
where:
Base-Base interactions energy: -615.782
where: short stacking energy: -265.240
Base-Backbone interact. energy: -0.814
local terms energy: -269.253142
where:
bonds (distance) C4'-P energy: -58.570
bonds (distance) P-C4' energy: -55.968
flat angles C4'-P-C4' energy: -51.393
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -66.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -808.377398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.377398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.377398 (E_RNA)
where:
Base-Base interactions energy: -563.933
where: short stacking energy: -257.645
Base-Backbone interact. energy: -1.071
local terms energy: -243.372865
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -45.733
flat angles C4'-P-C4' energy: -43.009
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -73.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -729.800493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.800493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.800493 (E_RNA)
where:
Base-Base interactions energy: -469.585
where: short stacking energy: -208.978
Base-Backbone interact. energy: -1.127
local terms energy: -259.089300
where:
bonds (distance) C4'-P energy: -54.580
bonds (distance) P-C4' energy: -58.254
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -49.718
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: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -691.919202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.919202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.919202 (E_RNA)
where:
Base-Base interactions energy: -471.540
where: short stacking energy: -216.102
Base-Backbone interact. energy: -1.138
local terms energy: -219.240977
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -50.324
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -53.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -471.079487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.079487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.079487 (E_RNA)
where:
Base-Base interactions energy: -256.099
where: short stacking energy: -123.389
Base-Backbone interact. energy: -0.862
local terms energy: -214.117547
where:
bonds (distance) C4'-P energy: -59.126
bonds (distance) P-C4' energy: -40.668
flat angles C4'-P-C4' energy: -62.152
flat angles P-C4'-P energy: -42.626
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1100.057569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.057569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.057569 (E_RNA)
where:
Base-Base interactions energy: -749.831
where: short stacking energy: -340.619
Base-Backbone interact. energy: -0.046
local terms energy: -350.179976
where:
bonds (distance) C4'-P energy: -62.713
bonds (distance) P-C4' energy: -65.504
flat angles C4'-P-C4' energy: -69.076
flat angles P-C4'-P energy: -53.480
tors. eta vs tors. theta energy: -99.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1061.296218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.296218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.296218 (E_RNA)
where:
Base-Base interactions energy: -750.031
where: short stacking energy: -304.284
Base-Backbone interact. energy: -0.187
local terms energy: -311.078237
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -59.477
flat angles C4'-P-C4' energy: -64.163
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -80.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1051.538696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.538696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.538696 (E_RNA)
where:
Base-Base interactions energy: -739.782
where: short stacking energy: -325.371
Base-Backbone interact. energy: -0.124
local terms energy: -311.631846
where:
bonds (distance) C4'-P energy: -62.647
bonds (distance) P-C4' energy: -61.811
flat angles C4'-P-C4' energy: -62.855
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -99.878
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: 158
Temperature: 1.050000
Total energy: -965.206318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.206318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.206318 (E_RNA)
where:
Base-Base interactions energy: -671.706
where: short stacking energy: -301.135
Base-Backbone interact. energy: -0.781
local terms energy: -292.718755
where:
bonds (distance) C4'-P energy: -59.125
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -62.850
flat angles P-C4'-P energy: -30.613
tors. eta vs tors. theta energy: -85.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -925.944861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.944861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.944861 (E_RNA)
where:
Base-Base interactions energy: -631.526
where: short stacking energy: -282.571
Base-Backbone interact. energy: -2.113
local terms energy: -292.305927
where:
bonds (distance) C4'-P energy: -56.016
bonds (distance) P-C4' energy: -56.971
flat angles C4'-P-C4' energy: -59.960
flat angles P-C4'-P energy: -40.032
tors. eta vs tors. theta energy: -79.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -880.345362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.345362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.345362 (E_RNA)
where:
Base-Base interactions energy: -622.030
where: short stacking energy: -273.662
Base-Backbone interact. energy: -1.112
local terms energy: -257.203873
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -49.901
flat angles C4'-P-C4' energy: -62.027
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -69.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -831.267321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.267321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.267321 (E_RNA)
where:
Base-Base interactions energy: -560.012
where: short stacking energy: -247.357
Base-Backbone interact. energy: -2.586
local terms energy: -268.669454
where:
bonds (distance) C4'-P energy: -56.136
bonds (distance) P-C4' energy: -54.596
flat angles C4'-P-C4' energy: -50.699
flat angles P-C4'-P energy: -41.866
tors. eta vs tors. theta energy: -65.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -687.544839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.544839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.544839 (E_RNA)
where:
Base-Base interactions energy: -450.495
where: short stacking energy: -205.952
Base-Backbone interact. energy: -1.326
local terms energy: -235.724239
where:
bonds (distance) C4'-P energy: -56.000
bonds (distance) P-C4' energy: -52.243
flat angles C4'-P-C4' energy: -55.237
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -37.649
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: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -719.060097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.060097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.060097 (E_RNA)
where:
Base-Base interactions energy: -483.597
where: short stacking energy: -201.131
Base-Backbone interact. energy: -1.337
local terms energy: -234.126242
where:
bonds (distance) C4'-P energy: -57.843
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -59.060
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -42.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -464.170681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.170681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.170681 (E_RNA)
where:
Base-Base interactions energy: -288.828
where: short stacking energy: -134.809
Base-Backbone interact. energy: 1.382
local terms energy: -176.724438
where:
bonds (distance) C4'-P energy: -48.890
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -43.228
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1083.201588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.201588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.201588 (E_RNA)
where:
Base-Base interactions energy: -755.433
where: short stacking energy: -343.719
Base-Backbone interact. energy: -0.678
local terms energy: -327.090418
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -69.728
flat angles C4'-P-C4' energy: -66.726
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: -96.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1067.830977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.830977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.830977 (E_RNA)
where:
Base-Base interactions energy: -746.732
where: short stacking energy: -329.933
Base-Backbone interact. energy: 2.730
local terms energy: -323.829529
where:
bonds (distance) C4'-P energy: -56.196
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -72.827
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -90.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1028.516436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.516436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.516436 (E_RNA)
where:
Base-Base interactions energy: -728.501
where: short stacking energy: -303.863
Base-Backbone interact. energy: 0.067
local terms energy: -300.081847
where:
bonds (distance) C4'-P energy: -54.794
bonds (distance) P-C4' energy: -58.604
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -78.931
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: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -964.755375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.755375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.755375 (E_RNA)
where:
Base-Base interactions energy: -665.359
where: short stacking energy: -293.145
Base-Backbone interact. energy: -1.302
local terms energy: -298.094468
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -60.625
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -73.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -923.671031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.671031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.671031 (E_RNA)
where:
Base-Base interactions energy: -616.608
where: short stacking energy: -262.840
Base-Backbone interact. energy: -0.198
local terms energy: -306.865873
where:
bonds (distance) C4'-P energy: -63.880
bonds (distance) P-C4' energy: -56.210
flat angles C4'-P-C4' energy: -56.444
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -83.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -908.240959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.240959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.240959 (E_RNA)
where:
Base-Base interactions energy: -617.180
where: short stacking energy: -268.261
Base-Backbone interact. energy: -0.693
local terms energy: -290.367517
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -53.695
flat angles C4'-P-C4' energy: -60.781
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -71.712
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -803.703404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.703404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.703404 (E_RNA)
where:
Base-Base interactions energy: -538.778
where: short stacking energy: -227.399
Base-Backbone interact. energy: -0.748
local terms energy: -264.177819
where:
bonds (distance) C4'-P energy: -66.162
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -53.016
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -57.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -696.688708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.688708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.688708 (E_RNA)
where:
Base-Base interactions energy: -463.399
where: short stacking energy: -220.080
Base-Backbone interact. energy: 6.583
local terms energy: -239.872232
where:
bonds (distance) C4'-P energy: -49.629
bonds (distance) P-C4' energy: -50.564
flat angles C4'-P-C4' energy: -49.077
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -51.924
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: 159
Temperature: 1.300000
Total energy: -692.134711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.134711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.134711 (E_RNA)
where:
Base-Base interactions energy: -451.492
where: short stacking energy: -191.221
Base-Backbone interact. energy: -0.537
local terms energy: -240.105244
where:
bonds (distance) C4'-P energy: -52.088
bonds (distance) P-C4' energy: -46.549
flat angles C4'-P-C4' energy: -56.751
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -47.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -463.075882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.075882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.075882 (E_RNA)
where:
Base-Base interactions energy: -257.064
where: short stacking energy: -134.500
Base-Backbone interact. energy: -1.223
local terms energy: -204.788723
where:
bonds (distance) C4'-P energy: -53.155
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -51.548
flat angles P-C4'-P energy: -27.720
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1092.721545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.721545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.721545 (E_RNA)
where:
Base-Base interactions energy: -751.874
where: short stacking energy: -338.799
Base-Backbone interact. energy: -0.395
local terms energy: -340.452773
where:
bonds (distance) C4'-P energy: -58.630
bonds (distance) P-C4' energy: -59.878
flat angles C4'-P-C4' energy: -75.345
flat angles P-C4'-P energy: -49.274
tors. eta vs tors. theta energy: -97.325
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1084.555752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.555752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.555752 (E_RNA)
where:
Base-Base interactions energy: -760.680
where: short stacking energy: -341.706
Base-Backbone interact. energy: 0.211
local terms energy: -324.085887
where:
bonds (distance) C4'-P energy: -53.663
bonds (distance) P-C4' energy: -61.109
flat angles C4'-P-C4' energy: -68.956
flat angles P-C4'-P energy: -47.118
tors. eta vs tors. theta energy: -93.241
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: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1027.883965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.883965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.883965 (E_RNA)
where:
Base-Base interactions energy: -712.398
where: short stacking energy: -295.763
Base-Backbone interact. energy: -3.443
local terms energy: -312.042924
where:
bonds (distance) C4'-P energy: -58.154
bonds (distance) P-C4' energy: -55.533
flat angles C4'-P-C4' energy: -62.840
flat angles P-C4'-P energy: -49.634
tors. eta vs tors. theta energy: -85.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -955.767802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.767802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.767802 (E_RNA)
where:
Base-Base interactions energy: -649.343
where: short stacking energy: -293.818
Base-Backbone interact. energy: -0.709
local terms energy: -305.715468
where:
bonds (distance) C4'-P energy: -56.199
bonds (distance) P-C4' energy: -57.947
flat angles C4'-P-C4' energy: -70.200
flat angles P-C4'-P energy: -42.316
tors. eta vs tors. theta energy: -79.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -950.105408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.105408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.105408 (E_RNA)
where:
Base-Base interactions energy: -669.910
where: short stacking energy: -304.786
Base-Backbone interact. energy: 0.215
local terms energy: -280.409424
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -46.564
flat angles C4'-P-C4' energy: -63.385
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -86.586
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: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -887.297749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.297749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.297749 (E_RNA)
where:
Base-Base interactions energy: -620.869
where: short stacking energy: -279.072
Base-Backbone interact. energy: -2.102
local terms energy: -264.326781
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -56.154
flat angles C4'-P-C4' energy: -61.778
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -69.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -798.787767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.787767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.787767 (E_RNA)
where:
Base-Base interactions energy: -540.084
where: short stacking energy: -234.936
Base-Backbone interact. energy: -1.413
local terms energy: -257.290333
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -57.861
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: -60.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -698.020543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.020543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.020543 (E_RNA)
where:
Base-Base interactions energy: -473.551
where: short stacking energy: -210.433
Base-Backbone interact. energy: -0.455
local terms energy: -224.015010
where:
bonds (distance) C4'-P energy: -51.984
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -50.022
flat angles P-C4'-P energy: -25.240
tors. eta vs tors. theta energy: -46.141
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: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -696.737477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.737477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.737477 (E_RNA)
where:
Base-Base interactions energy: -476.046
where: short stacking energy: -210.780
Base-Backbone interact. energy: -1.550
local terms energy: -219.140916
where:
bonds (distance) C4'-P energy: -36.451
bonds (distance) P-C4' energy: -48.636
flat angles C4'-P-C4' energy: -47.912
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -51.801
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: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -498.773437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.773437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.773437 (E_RNA)
where:
Base-Base interactions energy: -303.402
where: short stacking energy: -143.363
Base-Backbone interact. energy: -0.350
local terms energy: -195.021820
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -48.505
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -27.996
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: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1071.087629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.087629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.087629 (E_RNA)
where:
Base-Base interactions energy: -748.326
where: short stacking energy: -337.617
Base-Backbone interact. energy: 4.268
local terms energy: -327.030102
where:
bonds (distance) C4'-P energy: -52.187
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -66.596
flat angles P-C4'-P energy: -47.216
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: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1101.364540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.364540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.364540 (E_RNA)
where:
Base-Base interactions energy: -783.724
where: short stacking energy: -349.435
Base-Backbone interact. energy: 0.375
local terms energy: -318.015213
where:
bonds (distance) C4'-P energy: -56.506
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -41.007
tors. eta vs tors. theta energy: -96.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1051.891486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.891486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.891486 (E_RNA)
where:
Base-Base interactions energy: -747.520
where: short stacking energy: -315.384
Base-Backbone interact. energy: -1.606
local terms energy: -302.765734
where:
bonds (distance) C4'-P energy: -63.416
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -66.384
flat angles P-C4'-P energy: -42.951
tors. eta vs tors. theta energy: -78.104
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: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -966.167163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.167163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.167163 (E_RNA)
where:
Base-Base interactions energy: -661.140
where: short stacking energy: -279.097
Base-Backbone interact. energy: -1.057
local terms energy: -303.970376
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -61.030
flat angles C4'-P-C4' energy: -67.588
flat angles P-C4'-P energy: -33.240
tors. eta vs tors. theta energy: -79.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -963.081899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.081899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.081899 (E_RNA)
where:
Base-Base interactions energy: -647.970
where: short stacking energy: -280.535
Base-Backbone interact. energy: -2.043
local terms energy: -313.068272
where:
bonds (distance) C4'-P energy: -58.125
bonds (distance) P-C4' energy: -58.827
flat angles C4'-P-C4' energy: -61.412
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -87.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -886.405988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.405988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.405988 (E_RNA)
where:
Base-Base interactions energy: -612.945
where: short stacking energy: -261.528
Base-Backbone interact. energy: -1.005
local terms energy: -272.455498
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -61.884
flat angles P-C4'-P energy: -35.819
tors. eta vs tors. theta energy: -71.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -808.788161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.788161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.788161 (E_RNA)
where:
Base-Base interactions energy: -542.511
where: short stacking energy: -255.171
Base-Backbone interact. energy: -0.958
local terms energy: -265.318920
where:
bonds (distance) C4'-P energy: -42.877
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -61.936
flat angles P-C4'-P energy: -38.041
tors. eta vs tors. theta energy: -68.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -683.928453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.928453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.928453 (E_RNA)
where:
Base-Base interactions energy: -455.334
where: short stacking energy: -192.034
Base-Backbone interact. energy: -0.715
local terms energy: -227.879705
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -55.564
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -44.711
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: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -665.854964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.854964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.854964 (E_RNA)
where:
Base-Base interactions energy: -423.058
where: short stacking energy: -187.003
Base-Backbone interact. energy: 0.445
local terms energy: -243.242015
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -62.565
flat angles P-C4'-P energy: -34.000
tors. eta vs tors. theta energy: -41.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -470.250309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.250309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.250309 (E_RNA)
where:
Base-Base interactions energy: -290.590
where: short stacking energy: -155.526
Base-Backbone interact. energy: -0.625
local terms energy: -179.035100
where:
bonds (distance) C4'-P energy: -48.831
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -42.098
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1129.623526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.623526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.623526 (E_RNA)
where:
Base-Base interactions energy: -793.006
where: short stacking energy: -355.269
Base-Backbone interact. energy: -2.210
local terms energy: -334.407434
where:
bonds (distance) C4'-P energy: -54.614
bonds (distance) P-C4' energy: -59.002
flat angles C4'-P-C4' energy: -71.426
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -100.777
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: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1071.814511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.814511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.814511 (E_RNA)
where:
Base-Base interactions energy: -747.609
where: short stacking energy: -341.681
Base-Backbone interact. energy: -2.329
local terms energy: -321.876735
where:
bonds (distance) C4'-P energy: -52.547
bonds (distance) P-C4' energy: -63.770
flat angles C4'-P-C4' energy: -67.313
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -99.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1023.332326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.332326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.332326 (E_RNA)
where:
Base-Base interactions energy: -727.405
where: short stacking energy: -298.144
Base-Backbone interact. energy: -1.637
local terms energy: -294.290506
where:
bonds (distance) C4'-P energy: -51.049
bonds (distance) P-C4' energy: -63.377
flat angles C4'-P-C4' energy: -64.529
flat angles P-C4'-P energy: -42.910
tors. eta vs tors. theta energy: -72.425
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: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -953.019161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.019161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.019161 (E_RNA)
where:
Base-Base interactions energy: -655.541
where: short stacking energy: -298.807
Base-Backbone interact. energy: -1.190
local terms energy: -296.287752
where:
bonds (distance) C4'-P energy: -46.548
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -60.472
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -78.461
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: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -943.011849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.011849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.011849 (E_RNA)
where:
Base-Base interactions energy: -648.937
where: short stacking energy: -287.519
Base-Backbone interact. energy: -0.274
local terms energy: -293.800182
where:
bonds (distance) C4'-P energy: -58.341
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -80.051
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: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -876.589496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.589496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.589496 (E_RNA)
where:
Base-Base interactions energy: -615.975
where: short stacking energy: -273.361
Base-Backbone interact. energy: -1.745
local terms energy: -258.869964
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -63.335
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -75.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -815.569146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.569146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.569146 (E_RNA)
where:
Base-Base interactions energy: -548.410
where: short stacking energy: -248.181
Base-Backbone interact. energy: -0.523
local terms energy: -266.636649
where:
bonds (distance) C4'-P energy: -51.442
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -63.572
flat angles P-C4'-P energy: -35.812
tors. eta vs tors. theta energy: -58.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -723.635102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.635102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.635102 (E_RNA)
where:
Base-Base interactions energy: -477.393
where: short stacking energy: -199.994
Base-Backbone interact. energy: -1.021
local terms energy: -245.220282
where:
bonds (distance) C4'-P energy: -59.924
bonds (distance) P-C4' energy: -47.762
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -37.904
tors. eta vs tors. theta energy: -45.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -729.640823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.640823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.640823 (E_RNA)
where:
Base-Base interactions energy: -518.263
where: short stacking energy: -226.587
Base-Backbone interact. energy: -0.873
local terms energy: -210.505115
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -49.088
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -59.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -471.606254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.606254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.606254 (E_RNA)
where:
Base-Base interactions energy: -268.580
where: short stacking energy: -137.404
Base-Backbone interact. energy: -1.437
local terms energy: -201.588946
where:
bonds (distance) C4'-P energy: -59.528
bonds (distance) P-C4' energy: -55.026
flat angles C4'-P-C4' energy: -43.483
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1114.250274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.250274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.250274 (E_RNA)
where:
Base-Base interactions energy: -775.909
where: short stacking energy: -348.960
Base-Backbone interact. energy: -0.830
local terms energy: -337.511237
where:
bonds (distance) C4'-P energy: -64.004
bonds (distance) P-C4' energy: -62.833
flat angles C4'-P-C4' energy: -68.116
flat angles P-C4'-P energy: -47.324
tors. eta vs tors. theta energy: -95.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1090.443100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.443100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.443100 (E_RNA)
where:
Base-Base interactions energy: -752.831
where: short stacking energy: -333.829
Base-Backbone interact. energy: -1.002
local terms energy: -336.609882
where:
bonds (distance) C4'-P energy: -57.543
bonds (distance) P-C4' energy: -60.911
flat angles C4'-P-C4' energy: -71.195
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -101.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1007.305997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.305997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.305997 (E_RNA)
where:
Base-Base interactions energy: -702.614
where: short stacking energy: -298.589
Base-Backbone interact. energy: -0.304
local terms energy: -304.388207
where:
bonds (distance) C4'-P energy: -56.558
bonds (distance) P-C4' energy: -60.096
flat angles C4'-P-C4' energy: -65.456
flat angles P-C4'-P energy: -46.780
tors. eta vs tors. theta energy: -75.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -955.274985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.274985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.274985 (E_RNA)
where:
Base-Base interactions energy: -644.169
where: short stacking energy: -281.134
Base-Backbone interact. energy: -1.603
local terms energy: -309.502166
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -59.655
flat angles C4'-P-C4' energy: -65.932
flat angles P-C4'-P energy: -50.177
tors. eta vs tors. theta energy: -82.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -939.647890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.647890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.647890 (E_RNA)
where:
Base-Base interactions energy: -642.396
where: short stacking energy: -277.239
Base-Backbone interact. energy: -1.140
local terms energy: -296.111752
where:
bonds (distance) C4'-P energy: -57.901
bonds (distance) P-C4' energy: -65.092
flat angles C4'-P-C4' energy: -54.220
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -71.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -809.911326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.911326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.911326 (E_RNA)
where:
Base-Base interactions energy: -558.015
where: short stacking energy: -256.840
Base-Backbone interact. energy: -0.273
local terms energy: -251.622947
where:
bonds (distance) C4'-P energy: -52.141
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -61.233
flat angles P-C4'-P energy: -35.011
tors. eta vs tors. theta energy: -62.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -873.636848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.636848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.636848 (E_RNA)
where:
Base-Base interactions energy: -600.070
where: short stacking energy: -256.349
Base-Backbone interact. energy: -2.491
local terms energy: -271.075998
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -58.548
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -44.867
tors. eta vs tors. theta energy: -64.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -747.709326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.709326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.709326 (E_RNA)
where:
Base-Base interactions energy: -491.650
where: short stacking energy: -227.033
Base-Backbone interact. energy: 0.771
local terms energy: -256.830133
where:
bonds (distance) C4'-P energy: -55.550
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -46.648
flat angles P-C4'-P energy: -35.596
tors. eta vs tors. theta energy: -58.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -714.978044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.978044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.978044 (E_RNA)
where:
Base-Base interactions energy: -491.400
where: short stacking energy: -210.561
Base-Backbone interact. energy: 2.529
local terms energy: -226.107661
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -52.072
flat angles C4'-P-C4' energy: -49.238
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: -49.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -477.382465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.382465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.382465 (E_RNA)
where:
Base-Base interactions energy: -280.121
where: short stacking energy: -121.521
Base-Backbone interact. energy: -0.968
local terms energy: -196.293570
where:
bonds (distance) C4'-P energy: -51.300
bonds (distance) P-C4' energy: -50.958
flat angles C4'-P-C4' energy: -48.515
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1101.719464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.719464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.719464 (E_RNA)
where:
Base-Base interactions energy: -758.783
where: short stacking energy: -334.830
Base-Backbone interact. energy: -2.300
local terms energy: -340.636217
where:
bonds (distance) C4'-P energy: -64.002
bonds (distance) P-C4' energy: -62.232
flat angles C4'-P-C4' energy: -66.153
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -96.993
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: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1080.601219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.601219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.601219 (E_RNA)
where:
Base-Base interactions energy: -753.228
where: short stacking energy: -331.809
Base-Backbone interact. energy: 0.163
local terms energy: -327.536140
where:
bonds (distance) C4'-P energy: -56.090
bonds (distance) P-C4' energy: -67.599
flat angles C4'-P-C4' energy: -67.958
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -90.997
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: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1026.794437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.794437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.794437 (E_RNA)
where:
Base-Base interactions energy: -726.424
where: short stacking energy: -278.720
Base-Backbone interact. energy: -2.234
local terms energy: -298.136078
where:
bonds (distance) C4'-P energy: -56.398
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -62.527
flat angles P-C4'-P energy: -49.340
tors. eta vs tors. theta energy: -73.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -953.797344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.797344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.797344 (E_RNA)
where:
Base-Base interactions energy: -647.141
where: short stacking energy: -303.939
Base-Backbone interact. energy: -0.384
local terms energy: -306.272326
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -70.182
flat angles C4'-P-C4' energy: -67.690
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -77.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -901.088412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.088412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.088412 (E_RNA)
where:
Base-Base interactions energy: -618.800
where: short stacking energy: -273.197
Base-Backbone interact. energy: 0.107
local terms energy: -282.395537
where:
bonds (distance) C4'-P energy: -55.211
bonds (distance) P-C4' energy: -50.296
flat angles C4'-P-C4' energy: -59.361
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -74.821
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: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -828.756313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.756313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.756313 (E_RNA)
where:
Base-Base interactions energy: -551.278
where: short stacking energy: -241.533
Base-Backbone interact. energy: -0.825
local terms energy: -276.652758
where:
bonds (distance) C4'-P energy: -59.433
bonds (distance) P-C4' energy: -58.556
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -37.482
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: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -874.176850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.176850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.176850 (E_RNA)
where:
Base-Base interactions energy: -607.116
where: short stacking energy: -259.783
Base-Backbone interact. energy: -3.195
local terms energy: -263.866023
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -64.418
flat angles P-C4'-P energy: -38.999
tors. eta vs tors. theta energy: -68.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -710.239152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.239152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.239152 (E_RNA)
where:
Base-Base interactions energy: -475.153
where: short stacking energy: -198.291
Base-Backbone interact. energy: 0.065
local terms energy: -235.151536
where:
bonds (distance) C4'-P energy: -33.174
bonds (distance) P-C4' energy: -56.281
flat angles C4'-P-C4' energy: -60.185
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -49.087
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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -753.067092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.067092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.067092 (E_RNA)
where:
Base-Base interactions energy: -515.055
where: short stacking energy: -214.786
Base-Backbone interact. energy: -2.543
local terms energy: -235.468697
where:
bonds (distance) C4'-P energy: -51.338
bonds (distance) P-C4' energy: -48.971
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -40.033
tors. eta vs tors. theta energy: -45.308
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: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -467.618593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.618593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.618593 (E_RNA)
where:
Base-Base interactions energy: -284.988
where: short stacking energy: -140.855
Base-Backbone interact. energy: 2.103
local terms energy: -184.733212
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -59.787
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -30.835
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1089.483051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.483051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.483051 (E_RNA)
where:
Base-Base interactions energy: -746.107
where: short stacking energy: -336.838
Base-Backbone interact. energy: -0.288
local terms energy: -343.087604
where:
bonds (distance) C4'-P energy: -69.547
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -64.384
flat angles P-C4'-P energy: -48.190
tors. eta vs tors. theta energy: -101.455
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: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1095.240334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.240334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.240334 (E_RNA)
where:
Base-Base interactions energy: -767.706
where: short stacking energy: -349.514
Base-Backbone interact. energy: 4.312
local terms energy: -331.846674
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -65.510
flat angles C4'-P-C4' energy: -69.107
flat angles P-C4'-P energy: -47.148
tors. eta vs tors. theta energy: -102.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1021.287993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.287993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.287993 (E_RNA)
where:
Base-Base interactions energy: -722.261
where: short stacking energy: -283.247
Base-Backbone interact. energy: -2.198
local terms energy: -296.829703
where:
bonds (distance) C4'-P energy: -55.839
bonds (distance) P-C4' energy: -54.782
flat angles C4'-P-C4' energy: -66.449
flat angles P-C4'-P energy: -44.079
tors. eta vs tors. theta energy: -75.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -946.209083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.209083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.209083 (E_RNA)
where:
Base-Base interactions energy: -654.598
where: short stacking energy: -299.063
Base-Backbone interact. energy: -2.645
local terms energy: -288.965822
where:
bonds (distance) C4'-P energy: -59.095
bonds (distance) P-C4' energy: -54.730
flat angles C4'-P-C4' energy: -65.418
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -72.775
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: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -927.999390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.999390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.999390 (E_RNA)
where:
Base-Base interactions energy: -654.839
where: short stacking energy: -294.468
Base-Backbone interact. energy: 0.532
local terms energy: -273.692062
where:
bonds (distance) C4'-P energy: -46.778
bonds (distance) P-C4' energy: -55.188
flat angles C4'-P-C4' energy: -65.653
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -78.591
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: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -865.222536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.222536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.222536 (E_RNA)
where:
Base-Base interactions energy: -597.510
where: short stacking energy: -272.062
Base-Backbone interact. energy: 0.144
local terms energy: -267.856631
where:
bonds (distance) C4'-P energy: -53.708
bonds (distance) P-C4' energy: -53.203
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -36.167
tors. eta vs tors. theta energy: -66.839
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: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -810.778592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.778592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.778592 (E_RNA)
where:
Base-Base interactions energy: -549.762
where: short stacking energy: -268.283
Base-Backbone interact. energy: -0.762
local terms energy: -260.254820
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -53.157
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -70.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -769.375964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.375964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.375964 (E_RNA)
where:
Base-Base interactions energy: -510.822
where: short stacking energy: -218.204
Base-Backbone interact. energy: -1.205
local terms energy: -257.349167
where:
bonds (distance) C4'-P energy: -60.958
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -49.563
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -61.792
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: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -704.405587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.405587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.405587 (E_RNA)
where:
Base-Base interactions energy: -480.945
where: short stacking energy: -219.453
Base-Backbone interact. energy: -1.049
local terms energy: -222.411730
where:
bonds (distance) C4'-P energy: -44.418
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -56.119
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -42.595
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: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -480.351416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.351416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.351416 (E_RNA)
where:
Base-Base interactions energy: -292.440
where: short stacking energy: -124.479
Base-Backbone interact. energy: -0.062
local terms energy: -187.849629
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -52.745
flat angles C4'-P-C4' energy: -51.197
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -17.957
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: 166
Temperature: 0.900000
Total energy: -1100.168224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.168224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.168224 (E_RNA)
where:
Base-Base interactions energy: -770.963
where: short stacking energy: -346.118
Base-Backbone interact. energy: -1.357
local terms energy: -327.848424
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -74.548
flat angles P-C4'-P energy: -44.128
tors. eta vs tors. theta energy: -95.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1071.247305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.247305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.247305 (E_RNA)
where:
Base-Base interactions energy: -741.948
where: short stacking energy: -329.109
Base-Backbone interact. energy: -2.528
local terms energy: -326.771195
where:
bonds (distance) C4'-P energy: -62.853
bonds (distance) P-C4' energy: -58.944
flat angles C4'-P-C4' energy: -67.910
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -94.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1038.958934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.958934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.958934 (E_RNA)
where:
Base-Base interactions energy: -737.199
where: short stacking energy: -298.591
Base-Backbone interact. energy: 4.387
local terms energy: -306.147322
where:
bonds (distance) C4'-P energy: -57.170
bonds (distance) P-C4' energy: -53.416
flat angles C4'-P-C4' energy: -68.032
flat angles P-C4'-P energy: -48.592
tors. eta vs tors. theta energy: -78.938
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: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -929.086774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.086774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.086774 (E_RNA)
where:
Base-Base interactions energy: -634.674
where: short stacking energy: -280.954
Base-Backbone interact. energy: -1.443
local terms energy: -292.970060
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -63.909
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: -73.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -935.515221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.515221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.515221 (E_RNA)
where:
Base-Base interactions energy: -635.055
where: short stacking energy: -288.820
Base-Backbone interact. energy: -2.644
local terms energy: -297.815835
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -57.495
flat angles C4'-P-C4' energy: -66.007
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -82.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -888.843787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.843787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.843787 (E_RNA)
where:
Base-Base interactions energy: -613.243
where: short stacking energy: -257.320
Base-Backbone interact. energy: -1.016
local terms energy: -274.585262
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -61.579
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -73.326
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: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -801.875743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.875743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.875743 (E_RNA)
where:
Base-Base interactions energy: -550.376
where: short stacking energy: -235.270
Base-Backbone interact. energy: 0.202
local terms energy: -251.701788
where:
bonds (distance) C4'-P energy: -42.801
bonds (distance) P-C4' energy: -51.842
flat angles C4'-P-C4' energy: -57.145
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -51.946
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -786.742501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.742501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.742501 (E_RNA)
where:
Base-Base interactions energy: -527.048
where: short stacking energy: -248.232
Base-Backbone interact. energy: -0.985
local terms energy: -258.709357
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -50.399
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -71.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -710.373456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.373456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.373456 (E_RNA)
where:
Base-Base interactions energy: -494.913
where: short stacking energy: -210.098
Base-Backbone interact. energy: -1.728
local terms energy: -213.732251
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -47.208
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -46.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -478.535820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.535820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.535820 (E_RNA)
where:
Base-Base interactions energy: -262.586
where: short stacking energy: -123.118
Base-Backbone interact. energy: -0.382
local terms energy: -215.567579
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -66.063
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -32.053
tors. eta vs tors. theta energy: -15.213
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: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1094.673237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.673237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.673237 (E_RNA)
where:
Base-Base interactions energy: -777.215
where: short stacking energy: -352.679
Base-Backbone interact. energy: -0.314
local terms energy: -317.143988
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -58.623
flat angles C4'-P-C4' energy: -67.514
flat angles P-C4'-P energy: -42.372
tors. eta vs tors. theta energy: -97.140
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: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1047.357780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.357780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.357780 (E_RNA)
where:
Base-Base interactions energy: -748.790
where: short stacking energy: -297.819
Base-Backbone interact. energy: -3.628
local terms energy: -294.939190
where:
bonds (distance) C4'-P energy: -63.284
bonds (distance) P-C4' energy: -61.683
flat angles C4'-P-C4' energy: -55.771
flat angles P-C4'-P energy: -43.274
tors. eta vs tors. theta energy: -70.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1045.232069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.232069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.232069 (E_RNA)
where:
Base-Base interactions energy: -719.781
where: short stacking energy: -314.566
Base-Backbone interact. energy: -0.812
local terms energy: -324.639474
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -70.560
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -97.668
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: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -955.839886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.839886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.839886 (E_RNA)
where:
Base-Base interactions energy: -664.693
where: short stacking energy: -304.822
Base-Backbone interact. energy: -1.142
local terms energy: -290.004885
where:
bonds (distance) C4'-P energy: -60.514
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -53.227
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -79.437
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: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -948.018748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.018748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.018748 (E_RNA)
where:
Base-Base interactions energy: -648.429
where: short stacking energy: -295.313
Base-Backbone interact. energy: 1.646
local terms energy: -301.236122
where:
bonds (distance) C4'-P energy: -47.714
bonds (distance) P-C4' energy: -58.011
flat angles C4'-P-C4' energy: -70.933
flat angles P-C4'-P energy: -39.294
tors. eta vs tors. theta energy: -85.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -919.642884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.642884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.642884 (E_RNA)
where:
Base-Base interactions energy: -625.401
where: short stacking energy: -279.675
Base-Backbone interact. energy: -0.923
local terms energy: -293.319138
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -50.869
flat angles C4'-P-C4' energy: -73.377
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -81.332
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: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -794.782839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.782839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.782839 (E_RNA)
where:
Base-Base interactions energy: -537.256
where: short stacking energy: -225.083
Base-Backbone interact. energy: -0.987
local terms energy: -256.540435
where:
bonds (distance) C4'-P energy: -36.373
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -64.142
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -62.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -776.302472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.302472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.302472 (E_RNA)
where:
Base-Base interactions energy: -522.812
where: short stacking energy: -234.643
Base-Backbone interact. energy: 2.960
local terms energy: -256.450272
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -59.963
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -63.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -663.001409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.001409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.001409 (E_RNA)
where:
Base-Base interactions energy: -426.532
where: short stacking energy: -176.961
Base-Backbone interact. energy: -1.501
local terms energy: -234.968822
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -51.943
flat angles C4'-P-C4' energy: -62.826
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: -35.184
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: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -473.787899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.787899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.787899 (E_RNA)
where:
Base-Base interactions energy: -276.349
where: short stacking energy: -148.633
Base-Backbone interact. energy: -0.215
local terms energy: -197.223868
where:
bonds (distance) C4'-P energy: -38.907
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -25.649
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: 168
Temperature: 0.900000
Total energy: -1105.628569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.628569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.628569 (E_RNA)
where:
Base-Base interactions energy: -761.682
where: short stacking energy: -351.711
Base-Backbone interact. energy: -1.617
local terms energy: -342.329924
where:
bonds (distance) C4'-P energy: -68.539
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -66.258
flat angles P-C4'-P energy: -51.122
tors. eta vs tors. theta energy: -94.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1066.774416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.774416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.774416 (E_RNA)
where:
Base-Base interactions energy: -761.686
where: short stacking energy: -311.950
Base-Backbone interact. energy: 0.467
local terms energy: -305.555750
where:
bonds (distance) C4'-P energy: -50.706
bonds (distance) P-C4' energy: -58.274
flat angles C4'-P-C4' energy: -67.304
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -86.566
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: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1029.580420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.580420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.580420 (E_RNA)
where:
Base-Base interactions energy: -722.490
where: short stacking energy: -327.876
Base-Backbone interact. energy: -1.014
local terms energy: -306.075694
where:
bonds (distance) C4'-P energy: -47.300
bonds (distance) P-C4' energy: -47.262
flat angles C4'-P-C4' energy: -70.109
flat angles P-C4'-P energy: -45.931
tors. eta vs tors. theta energy: -95.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -933.307788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.307788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.307788 (E_RNA)
where:
Base-Base interactions energy: -637.563
where: short stacking energy: -293.011
Base-Backbone interact. energy: -0.516
local terms energy: -295.228411
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -55.128
flat angles C4'-P-C4' energy: -72.188
flat angles P-C4'-P energy: -32.571
tors. eta vs tors. theta energy: -81.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -936.880641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.880641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.880641 (E_RNA)
where:
Base-Base interactions energy: -653.534
where: short stacking energy: -289.051
Base-Backbone interact. energy: -1.603
local terms energy: -281.744301
where:
bonds (distance) C4'-P energy: -45.760
bonds (distance) P-C4' energy: -59.435
flat angles C4'-P-C4' energy: -61.467
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -79.189
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: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -886.521315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.521315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.521315 (E_RNA)
where:
Base-Base interactions energy: -617.283
where: short stacking energy: -291.409
Base-Backbone interact. energy: -1.080
local terms energy: -268.158145
where:
bonds (distance) C4'-P energy: -51.490
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -59.803
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -82.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -827.276829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.276829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.276829 (E_RNA)
where:
Base-Base interactions energy: -559.631
where: short stacking energy: -248.952
Base-Backbone interact. energy: -2.076
local terms energy: -265.570090
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -66.530
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: -67.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -722.966156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.966156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.966156 (E_RNA)
where:
Base-Base interactions energy: -488.613
where: short stacking energy: -201.503
Base-Backbone interact. energy: 0.734
local terms energy: -235.087532
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -52.202
flat angles C4'-P-C4' energy: -50.132
flat angles P-C4'-P energy: -32.498
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: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -693.791640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.791640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.791640 (E_RNA)
where:
Base-Base interactions energy: -480.988
where: short stacking energy: -199.865
Base-Backbone interact. energy: 3.272
local terms energy: -216.075522
where:
bonds (distance) C4'-P energy: -33.061
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -49.174
flat angles P-C4'-P energy: -39.050
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -480.139341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.139341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.139341 (E_RNA)
where:
Base-Base interactions energy: -299.082
where: short stacking energy: -157.106
Base-Backbone interact. energy: 1.589
local terms energy: -182.647009
where:
bonds (distance) C4'-P energy: -54.118
bonds (distance) P-C4' energy: -49.639
flat angles C4'-P-C4' energy: -44.998
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1109.367454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.367454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.367454 (E_RNA)
where:
Base-Base interactions energy: -769.157
where: short stacking energy: -350.142
Base-Backbone interact. energy: 1.407
local terms energy: -341.617275
where:
bonds (distance) C4'-P energy: -59.871
bonds (distance) P-C4' energy: -64.552
flat angles C4'-P-C4' energy: -71.108
flat angles P-C4'-P energy: -49.540
tors. eta vs tors. theta energy: -96.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1049.394798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.394798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.394798 (E_RNA)
where:
Base-Base interactions energy: -706.878
where: short stacking energy: -335.077
Base-Backbone interact. energy: -0.548
local terms energy: -341.968950
where:
bonds (distance) C4'-P energy: -67.926
bonds (distance) P-C4' energy: -58.540
flat angles C4'-P-C4' energy: -74.621
flat angles P-C4'-P energy: -46.921
tors. eta vs tors. theta energy: -93.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1038.006270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.006270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.006270 (E_RNA)
where:
Base-Base interactions energy: -734.933
where: short stacking energy: -280.299
Base-Backbone interact. energy: -0.410
local terms energy: -302.663059
where:
bonds (distance) C4'-P energy: -57.452
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -67.200
flat angles P-C4'-P energy: -53.597
tors. eta vs tors. theta energy: -74.286
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: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -953.932746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.932746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.932746 (E_RNA)
where:
Base-Base interactions energy: -636.054
where: short stacking energy: -291.739
Base-Backbone interact. energy: -0.779
local terms energy: -317.099745
where:
bonds (distance) C4'-P energy: -57.260
bonds (distance) P-C4' energy: -63.945
flat angles C4'-P-C4' energy: -68.415
flat angles P-C4'-P energy: -48.667
tors. eta vs tors. theta energy: -78.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -941.198398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.198398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.198398 (E_RNA)
where:
Base-Base interactions energy: -655.600
where: short stacking energy: -290.472
Base-Backbone interact. energy: -0.324
local terms energy: -285.273791
where:
bonds (distance) C4'-P energy: -39.593
bonds (distance) P-C4' energy: -62.334
flat angles C4'-P-C4' energy: -62.718
flat angles P-C4'-P energy: -43.569
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -876.011671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.011671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.011671 (E_RNA)
where:
Base-Base interactions energy: -611.277
where: short stacking energy: -258.773
Base-Backbone interact. energy: -0.689
local terms energy: -264.044848
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -59.398
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -72.228
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: 169
Temperature: 1.200000
Total energy: -873.757439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.757439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.757439 (E_RNA)
where:
Base-Base interactions energy: -606.551
where: short stacking energy: -257.830
Base-Backbone interact. energy: -1.452
local terms energy: -265.754180
where:
bonds (distance) C4'-P energy: -48.839
bonds (distance) P-C4' energy: -47.395
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -63.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -769.152834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.152834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.152834 (E_RNA)
where:
Base-Base interactions energy: -513.041
where: short stacking energy: -223.899
Base-Backbone interact. energy: -1.062
local terms energy: -255.049142
where:
bonds (distance) C4'-P energy: -44.151
bonds (distance) P-C4' energy: -56.577
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -60.823
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: 169
Temperature: 1.300000
Total energy: -683.036636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.036636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.036636 (E_RNA)
where:
Base-Base interactions energy: -455.702
where: short stacking energy: -205.636
Base-Backbone interact. energy: -2.526
local terms energy: -224.808702
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -56.513
flat angles C4'-P-C4' energy: -53.973
flat angles P-C4'-P energy: -35.318
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -423.856727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.856727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.856727 (E_RNA)
where:
Base-Base interactions energy: -236.861
where: short stacking energy: -118.227
Base-Backbone interact. energy: -1.763
local terms energy: -185.232425
where:
bonds (distance) C4'-P energy: -58.036
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -12.932
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1102.727030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.727030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.727030 (E_RNA)
where:
Base-Base interactions energy: -762.681
where: short stacking energy: -323.664
Base-Backbone interact. energy: 4.014
local terms energy: -344.060038
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -67.338
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -40.416
tors. eta vs tors. theta energy: -95.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1075.115205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.115205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.115205 (E_RNA)
where:
Base-Base interactions energy: -747.341
where: short stacking energy: -326.109
Base-Backbone interact. energy: -0.730
local terms energy: -327.044263
where:
bonds (distance) C4'-P energy: -58.617
bonds (distance) P-C4' energy: -61.924
flat angles C4'-P-C4' energy: -68.734
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -98.868
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: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1047.932709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.932709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.932709 (E_RNA)
where:
Base-Base interactions energy: -745.676
where: short stacking energy: -301.422
Base-Backbone interact. energy: -4.343
local terms energy: -297.913823
where:
bonds (distance) C4'-P energy: -49.761
bonds (distance) P-C4' energy: -57.143
flat angles C4'-P-C4' energy: -68.828
flat angles P-C4'-P energy: -46.655
tors. eta vs tors. theta energy: -75.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -938.369087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.369087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.369087 (E_RNA)
where:
Base-Base interactions energy: -637.581
where: short stacking energy: -294.765
Base-Backbone interact. energy: -1.934
local terms energy: -298.853502
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -36.106
tors. eta vs tors. theta energy: -85.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -909.864105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.864105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.864105 (E_RNA)
where:
Base-Base interactions energy: -629.366
where: short stacking energy: -280.292
Base-Backbone interact. energy: -0.103
local terms energy: -280.394368
where:
bonds (distance) C4'-P energy: -44.295
bonds (distance) P-C4' energy: -54.496
flat angles C4'-P-C4' energy: -63.857
flat angles P-C4'-P energy: -44.529
tors. eta vs tors. theta energy: -73.217
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: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -912.851373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.851373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.851373 (E_RNA)
where:
Base-Base interactions energy: -620.075
where: short stacking energy: -273.171
Base-Backbone interact. energy: 2.356
local terms energy: -295.132328
where:
bonds (distance) C4'-P energy: -62.256
bonds (distance) P-C4' energy: -52.012
flat angles C4'-P-C4' energy: -58.149
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -86.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -862.055028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.055028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.055028 (E_RNA)
where:
Base-Base interactions energy: -589.812
where: short stacking energy: -264.863
Base-Backbone interact. energy: -1.348
local terms energy: -270.895039
where:
bonds (distance) C4'-P energy: -47.742
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -65.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -796.203254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.203254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.203254 (E_RNA)
where:
Base-Base interactions energy: -543.910
where: short stacking energy: -235.172
Base-Backbone interact. energy: 0.239
local terms energy: -252.532409
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -54.562
flat angles C4'-P-C4' energy: -58.026
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -60.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -643.054126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.054126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.054126 (E_RNA)
where:
Base-Base interactions energy: -429.595
where: short stacking energy: -176.484
Base-Backbone interact. energy: -0.684
local terms energy: -212.775371
where:
bonds (distance) C4'-P energy: -45.184
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -58.626
flat angles P-C4'-P energy: -31.247
tors. eta vs tors. theta energy: -35.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -420.634710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.634710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.634710 (E_RNA)
where:
Base-Base interactions energy: -248.530
where: short stacking energy: -133.966
Base-Backbone interact. energy: 8.844
local terms energy: -180.949414
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -56.386
flat angles C4'-P-C4' energy: -39.252
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -18.711
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: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1099.468160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.468160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.468160 (E_RNA)
where:
Base-Base interactions energy: -767.047
where: short stacking energy: -344.193
Base-Backbone interact. energy: -0.508
local terms energy: -331.912691
where:
bonds (distance) C4'-P energy: -65.409
bonds (distance) P-C4' energy: -61.049
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -94.072
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: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1065.730099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.730099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.730099 (E_RNA)
where:
Base-Base interactions energy: -733.899
where: short stacking energy: -344.021
Base-Backbone interact. energy: -0.195
local terms energy: -331.636694
where:
bonds (distance) C4'-P energy: -63.979
bonds (distance) P-C4' energy: -57.193
flat angles C4'-P-C4' energy: -66.933
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -100.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1048.597642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.597642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.597642 (E_RNA)
where:
Base-Base interactions energy: -729.348
where: short stacking energy: -285.740
Base-Backbone interact. energy: 4.559
local terms energy: -323.809014
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -68.023
flat angles C4'-P-C4' energy: -69.912
flat angles P-C4'-P energy: -47.313
tors. eta vs tors. theta energy: -77.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -977.387797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.387797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.387797 (E_RNA)
where:
Base-Base interactions energy: -675.457
where: short stacking energy: -295.510
Base-Backbone interact. energy: 0.106
local terms energy: -302.036980
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -64.351
flat angles P-C4'-P energy: -42.719
tors. eta vs tors. theta energy: -88.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -910.719645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.719645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.719645 (E_RNA)
where:
Base-Base interactions energy: -638.318
where: short stacking energy: -266.319
Base-Backbone interact. energy: -1.006
local terms energy: -271.395711
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -58.617
flat angles P-C4'-P energy: -38.381
tors. eta vs tors. theta energy: -73.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -903.658164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.658164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.658164 (E_RNA)
where:
Base-Base interactions energy: -623.781
where: short stacking energy: -271.160
Base-Backbone interact. energy: -0.556
local terms energy: -279.320986
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -56.890
flat angles C4'-P-C4' energy: -56.745
flat angles P-C4'-P energy: -41.026
tors. eta vs tors. theta energy: -71.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -877.446750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.446750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.446750 (E_RNA)
where:
Base-Base interactions energy: -611.592
where: short stacking energy: -274.403
Base-Backbone interact. energy: -1.002
local terms energy: -264.851962
where:
bonds (distance) C4'-P energy: -46.862
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -55.655
flat angles P-C4'-P energy: -38.654
tors. eta vs tors. theta energy: -76.260
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: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -819.078279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.078279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.078279 (E_RNA)
where:
Base-Base interactions energy: -583.297
where: short stacking energy: -248.031
Base-Backbone interact. energy: -0.682
local terms energy: -235.098608
where:
bonds (distance) C4'-P energy: -31.426
bonds (distance) P-C4' energy: -48.464
flat angles C4'-P-C4' energy: -58.595
flat angles P-C4'-P energy: -34.922
tors. eta vs tors. theta energy: -61.692
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: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -629.092950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.092950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.092950 (E_RNA)
where:
Base-Base interactions energy: -407.021
where: short stacking energy: -173.230
Base-Backbone interact. energy: -0.738
local terms energy: -221.333845
where:
bonds (distance) C4'-P energy: -51.107
bonds (distance) P-C4' energy: -53.163
flat angles C4'-P-C4' energy: -56.915
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -33.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -477.905530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.905530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.905530 (E_RNA)
where:
Base-Base interactions energy: -295.951
where: short stacking energy: -145.348
Base-Backbone interact. energy: 0.651
local terms energy: -182.604782
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -53.164
flat angles C4'-P-C4' energy: -42.254
flat angles P-C4'-P energy: -38.087
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1105.865472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.865472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.865472 (E_RNA)
where:
Base-Base interactions energy: -768.873
where: short stacking energy: -345.723
Base-Backbone interact. energy: 0.439
local terms energy: -337.431660
where:
bonds (distance) C4'-P energy: -66.464
bonds (distance) P-C4' energy: -63.589
flat angles C4'-P-C4' energy: -66.499
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -93.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1055.680963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.680963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.680963 (E_RNA)
where:
Base-Base interactions energy: -721.933
where: short stacking energy: -328.528
Base-Backbone interact. energy: -0.383
local terms energy: -333.364962
where:
bonds (distance) C4'-P energy: -64.400
bonds (distance) P-C4' energy: -50.856
flat angles C4'-P-C4' energy: -67.432
flat angles P-C4'-P energy: -51.402
tors. eta vs tors. theta energy: -99.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1041.353518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.353518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.353518 (E_RNA)
where:
Base-Base interactions energy: -738.454
where: short stacking energy: -272.626
Base-Backbone interact. energy: 0.647
local terms energy: -303.546837
where:
bonds (distance) C4'-P energy: -57.216
bonds (distance) P-C4' energy: -61.212
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -76.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -994.042595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.042595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.042595 (E_RNA)
where:
Base-Base interactions energy: -692.385
where: short stacking energy: -307.251
Base-Backbone interact. energy: -0.975
local terms energy: -300.682291
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -53.995
flat angles C4'-P-C4' energy: -69.905
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -83.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -936.181077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.181077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.181077 (E_RNA)
where:
Base-Base interactions energy: -638.988
where: short stacking energy: -286.664
Base-Backbone interact. energy: -1.633
local terms energy: -295.559799
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -61.504
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -76.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -888.457687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.457687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.457687 (E_RNA)
where:
Base-Base interactions energy: -613.141
where: short stacking energy: -283.838
Base-Backbone interact. energy: 0.131
local terms energy: -275.447146
where:
bonds (distance) C4'-P energy: -49.460
bonds (distance) P-C4' energy: -46.294
flat angles C4'-P-C4' energy: -64.599
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -82.466
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: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -871.466736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.466736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.466736 (E_RNA)
where:
Base-Base interactions energy: -594.620
where: short stacking energy: -265.511
Base-Backbone interact. energy: -1.347
local terms energy: -275.500250
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -49.347
flat angles C4'-P-C4' energy: -60.098
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -76.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -797.901802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.901802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.901802 (E_RNA)
where:
Base-Base interactions energy: -540.142
where: short stacking energy: -240.330
Base-Backbone interact. energy: -2.882
local terms energy: -254.877278
where:
bonds (distance) C4'-P energy: -42.274
bonds (distance) P-C4' energy: -51.435
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -61.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -630.368242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.368242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.368242 (E_RNA)
where:
Base-Base interactions energy: -416.685
where: short stacking energy: -179.903
Base-Backbone interact. energy: -1.453
local terms energy: -212.230672
where:
bonds (distance) C4'-P energy: -45.815
bonds (distance) P-C4' energy: -61.115
flat angles C4'-P-C4' energy: -39.685
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -35.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -468.383231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.383231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.383231 (E_RNA)
where:
Base-Base interactions energy: -283.304
where: short stacking energy: -130.382
Base-Backbone interact. energy: -1.929
local terms energy: -183.149810
where:
bonds (distance) C4'-P energy: -58.446
bonds (distance) P-C4' energy: -58.879
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1114.617627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.617627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.617627 (E_RNA)
where:
Base-Base interactions energy: -781.351
where: short stacking energy: -360.903
Base-Backbone interact. energy: 2.839
local terms energy: -336.106388
where:
bonds (distance) C4'-P energy: -64.123
bonds (distance) P-C4' energy: -60.177
flat angles C4'-P-C4' energy: -69.300
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -98.350
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: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1067.823189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.823189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.823189 (E_RNA)
where:
Base-Base interactions energy: -738.429
where: short stacking energy: -304.995
Base-Backbone interact. energy: -1.249
local terms energy: -328.145536
where:
bonds (distance) C4'-P energy: -67.927
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -68.045
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -83.253
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1047.092346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.092346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.092346 (E_RNA)
where:
Base-Base interactions energy: -707.987
where: short stacking energy: -328.963
Base-Backbone interact. energy: -1.672
local terms energy: -337.433257
where:
bonds (distance) C4'-P energy: -57.545
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -69.896
flat angles P-C4'-P energy: -48.507
tors. eta vs tors. theta energy: -99.784
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: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -937.936539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.936539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.936539 (E_RNA)
where:
Base-Base interactions energy: -638.824
where: short stacking energy: -275.424
Base-Backbone interact. energy: 0.459
local terms energy: -299.572309
where:
bonds (distance) C4'-P energy: -56.110
bonds (distance) P-C4' energy: -59.490
flat angles C4'-P-C4' energy: -62.911
flat angles P-C4'-P energy: -48.730
tors. eta vs tors. theta energy: -72.332
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: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -980.198973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.198973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.198973 (E_RNA)
where:
Base-Base interactions energy: -692.969
where: short stacking energy: -295.980
Base-Backbone interact. energy: 0.025
local terms energy: -287.255033
where:
bonds (distance) C4'-P energy: -52.162
bonds (distance) P-C4' energy: -59.874
flat angles C4'-P-C4' energy: -62.257
flat angles P-C4'-P energy: -38.748
tors. eta vs tors. theta energy: -74.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -891.007213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.007213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.007213 (E_RNA)
where:
Base-Base interactions energy: -632.159
where: short stacking energy: -277.940
Base-Backbone interact. energy: -2.373
local terms energy: -256.475413
where:
bonds (distance) C4'-P energy: -38.176
bonds (distance) P-C4' energy: -39.557
flat angles C4'-P-C4' energy: -65.615
flat angles P-C4'-P energy: -32.943
tors. eta vs tors. theta energy: -80.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -834.825939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.825939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.825939 (E_RNA)
where:
Base-Base interactions energy: -580.295
where: short stacking energy: -263.959
Base-Backbone interact. energy: 0.528
local terms energy: -255.058808
where:
bonds (distance) C4'-P energy: -53.790
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -55.363
flat angles P-C4'-P energy: -29.109
tors. eta vs tors. theta energy: -68.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -806.976741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.976741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.976741 (E_RNA)
where:
Base-Base interactions energy: -559.606
where: short stacking energy: -245.376
Base-Backbone interact. energy: -0.469
local terms energy: -246.900820
where:
bonds (distance) C4'-P energy: -60.221
bonds (distance) P-C4' energy: -39.340
flat angles C4'-P-C4' energy: -49.000
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -65.923
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: 173
Temperature: 1.300000
Total energy: -678.152385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.152385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.152385 (E_RNA)
where:
Base-Base interactions energy: -428.170
where: short stacking energy: -200.926
Base-Backbone interact. energy: -0.326
local terms energy: -249.655727
where:
bonds (distance) C4'-P energy: -53.430
bonds (distance) P-C4' energy: -57.181
flat angles C4'-P-C4' energy: -51.880
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: -45.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -489.238122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.238122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.238122 (E_RNA)
where:
Base-Base interactions energy: -306.878
where: short stacking energy: -135.985
Base-Backbone interact. energy: 1.783
local terms energy: -184.143131
where:
bonds (distance) C4'-P energy: -51.032
bonds (distance) P-C4' energy: -55.800
flat angles C4'-P-C4' energy: -38.175
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1102.027179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.027179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.027179 (E_RNA)
where:
Base-Base interactions energy: -765.523
where: short stacking energy: -349.076
Base-Backbone interact. energy: 3.029
local terms energy: -339.533179
where:
bonds (distance) C4'-P energy: -61.330
bonds (distance) P-C4' energy: -54.037
flat angles C4'-P-C4' energy: -68.327
flat angles P-C4'-P energy: -54.759
tors. eta vs tors. theta energy: -101.080
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: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1070.800221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.800221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.800221 (E_RNA)
where:
Base-Base interactions energy: -746.262
where: short stacking energy: -306.289
Base-Backbone interact. energy: -1.820
local terms energy: -322.718255
where:
bonds (distance) C4'-P energy: -59.882
bonds (distance) P-C4' energy: -63.671
flat angles C4'-P-C4' energy: -76.347
flat angles P-C4'-P energy: -40.662
tors. eta vs tors. theta energy: -82.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1028.316178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.316178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.316178 (E_RNA)
where:
Base-Base interactions energy: -703.472
where: short stacking energy: -314.132
Base-Backbone interact. energy: -1.296
local terms energy: -323.548395
where:
bonds (distance) C4'-P energy: -53.143
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -44.430
tors. eta vs tors. theta energy: -97.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -951.488984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.488984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.488984 (E_RNA)
where:
Base-Base interactions energy: -664.887
where: short stacking energy: -293.122
Base-Backbone interact. energy: -0.175
local terms energy: -286.427593
where:
bonds (distance) C4'-P energy: -54.526
bonds (distance) P-C4' energy: -57.872
flat angles C4'-P-C4' energy: -62.261
flat angles P-C4'-P energy: -35.085
tors. eta vs tors. theta energy: -76.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -963.638090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.638090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.638090 (E_RNA)
where:
Base-Base interactions energy: -678.001
where: short stacking energy: -285.903
Base-Backbone interact. energy: 0.009
local terms energy: -285.646370
where:
bonds (distance) C4'-P energy: -51.631
bonds (distance) P-C4' energy: -48.659
flat angles C4'-P-C4' energy: -64.810
flat angles P-C4'-P energy: -43.910
tors. eta vs tors. theta energy: -76.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -903.758172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.758172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.758172 (E_RNA)
where:
Base-Base interactions energy: -628.435
where: short stacking energy: -282.300
Base-Backbone interact. energy: -2.005
local terms energy: -273.318089
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -40.589
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -75.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -862.249592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.249592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.249592 (E_RNA)
where:
Base-Base interactions energy: -595.220
where: short stacking energy: -248.221
Base-Backbone interact. energy: 1.998
local terms energy: -269.027475
where:
bonds (distance) C4'-P energy: -50.458
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -70.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -811.251417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.251417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.251417 (E_RNA)
where:
Base-Base interactions energy: -546.676
where: short stacking energy: -246.049
Base-Backbone interact. energy: -1.220
local terms energy: -263.355721
where:
bonds (distance) C4'-P energy: -53.863
bonds (distance) P-C4' energy: -50.752
flat angles C4'-P-C4' energy: -62.540
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: -56.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -654.877113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.877113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.877113 (E_RNA)
where:
Base-Base interactions energy: -428.303
where: short stacking energy: -182.166
Base-Backbone interact. energy: 1.137
local terms energy: -227.711622
where:
bonds (distance) C4'-P energy: -50.435
bonds (distance) P-C4' energy: -47.985
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -47.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -528.891500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.891500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.891500 (E_RNA)
where:
Base-Base interactions energy: -349.827
where: short stacking energy: -155.311
Base-Backbone interact. energy: -1.066
local terms energy: -177.998487
where:
bonds (distance) C4'-P energy: -42.545
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -42.763
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1100.449783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.449783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.449783 (E_RNA)
where:
Base-Base interactions energy: -746.338
where: short stacking energy: -336.294
Base-Backbone interact. energy: 1.056
local terms energy: -355.167716
where:
bonds (distance) C4'-P energy: -66.852
bonds (distance) P-C4' energy: -68.797
flat angles C4'-P-C4' energy: -73.523
flat angles P-C4'-P energy: -48.327
tors. eta vs tors. theta energy: -97.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1083.913329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.913329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.913329 (E_RNA)
where:
Base-Base interactions energy: -763.885
where: short stacking energy: -316.401
Base-Backbone interact. energy: -1.726
local terms energy: -318.302176
where:
bonds (distance) C4'-P energy: -56.657
bonds (distance) P-C4' energy: -57.555
flat angles C4'-P-C4' energy: -69.493
flat angles P-C4'-P energy: -47.898
tors. eta vs tors. theta energy: -86.699
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: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1029.196170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.196170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.196170 (E_RNA)
where:
Base-Base interactions energy: -705.261
where: short stacking energy: -314.339
Base-Backbone interact. energy: 0.546
local terms energy: -324.481345
where:
bonds (distance) C4'-P energy: -52.544
bonds (distance) P-C4' energy: -67.139
flat angles C4'-P-C4' energy: -61.871
flat angles P-C4'-P energy: -45.934
tors. eta vs tors. theta energy: -96.993
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: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -979.252214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.252214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.252214 (E_RNA)
where:
Base-Base interactions energy: -686.538
where: short stacking energy: -282.631
Base-Backbone interact. energy: -0.906
local terms energy: -291.807874
where:
bonds (distance) C4'-P energy: -50.618
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -65.980
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: -73.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -919.332540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.332540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.332540 (E_RNA)
where:
Base-Base interactions energy: -629.494
where: short stacking energy: -278.441
Base-Backbone interact. energy: -1.490
local terms energy: -288.348048
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -48.883
flat angles C4'-P-C4' energy: -67.268
flat angles P-C4'-P energy: -45.652
tors. eta vs tors. theta energy: -77.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -936.692988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.692988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.692988 (E_RNA)
where:
Base-Base interactions energy: -639.635
where: short stacking energy: -294.360
Base-Backbone interact. energy: 0.721
local terms energy: -297.779325
where:
bonds (distance) C4'-P energy: -61.509
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -63.817
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -87.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -854.379389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.379389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.379389 (E_RNA)
where:
Base-Base interactions energy: -582.069
where: short stacking energy: -275.360
Base-Backbone interact. energy: -0.952
local terms energy: -271.358165
where:
bonds (distance) C4'-P energy: -57.952
bonds (distance) P-C4' energy: -47.388
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -71.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -816.439199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.439199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.439199 (E_RNA)
where:
Base-Base interactions energy: -572.004
where: short stacking energy: -246.856
Base-Backbone interact. energy: -0.559
local terms energy: -243.876161
where:
bonds (distance) C4'-P energy: -31.580
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -52.991
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -68.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -662.147014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.147014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.147014 (E_RNA)
where:
Base-Base interactions energy: -437.148
where: short stacking energy: -187.820
Base-Backbone interact. energy: 0.699
local terms energy: -225.698131
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -53.242
flat angles P-C4'-P energy: -33.034
tors. eta vs tors. theta energy: -44.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -510.834578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.834578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.834578 (E_RNA)
where:
Base-Base interactions energy: -318.129
where: short stacking energy: -149.746
Base-Backbone interact. energy: 6.976
local terms energy: -199.681551
where:
bonds (distance) C4'-P energy: -56.740
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -47.060
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1120.723789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.723789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.723789 (E_RNA)
where:
Base-Base interactions energy: -786.263
where: short stacking energy: -357.527
Base-Backbone interact. energy: 0.948
local terms energy: -335.408464
where:
bonds (distance) C4'-P energy: -56.717
bonds (distance) P-C4' energy: -61.083
flat angles C4'-P-C4' energy: -72.638
flat angles P-C4'-P energy: -45.497
tors. eta vs tors. theta energy: -99.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1069.274475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.274475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.274475 (E_RNA)
where:
Base-Base interactions energy: -743.083
where: short stacking energy: -298.945
Base-Backbone interact. energy: -2.558
local terms energy: -323.633335
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -76.330
flat angles P-C4'-P energy: -44.556
tors. eta vs tors. theta energy: -81.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1007.888697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.888697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.888697 (E_RNA)
where:
Base-Base interactions energy: -703.231
where: short stacking energy: -302.735
Base-Backbone interact. energy: -0.180
local terms energy: -304.476910
where:
bonds (distance) C4'-P energy: -55.863
bonds (distance) P-C4' energy: -65.661
flat angles C4'-P-C4' energy: -59.919
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -95.269
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: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -992.177622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.177622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.177622 (E_RNA)
where:
Base-Base interactions energy: -687.220
where: short stacking energy: -298.532
Base-Backbone interact. energy: -2.412
local terms energy: -302.545891
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -57.662
flat angles C4'-P-C4' energy: -64.412
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -81.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -905.994321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.994321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.994321 (E_RNA)
where:
Base-Base interactions energy: -615.132
where: short stacking energy: -263.294
Base-Backbone interact. energy: -1.325
local terms energy: -289.537692
where:
bonds (distance) C4'-P energy: -55.211
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -61.429
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: -75.468
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: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -885.290392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.290392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.290392 (E_RNA)
where:
Base-Base interactions energy: -597.272
where: short stacking energy: -272.979
Base-Backbone interact. energy: -2.386
local terms energy: -285.632271
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -68.434
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -77.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -853.610385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.610385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.610385 (E_RNA)
where:
Base-Base interactions energy: -591.504
where: short stacking energy: -244.384
Base-Backbone interact. energy: -0.272
local terms energy: -261.833646
where:
bonds (distance) C4'-P energy: -57.610
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -47.866
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -63.762
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: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -852.252217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.252217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.252217 (E_RNA)
where:
Base-Base interactions energy: -567.833
where: short stacking energy: -250.740
Base-Backbone interact. energy: 0.389
local terms energy: -284.808195
where:
bonds (distance) C4'-P energy: -55.664
bonds (distance) P-C4' energy: -52.361
flat angles C4'-P-C4' energy: -53.905
flat angles P-C4'-P energy: -47.197
tors. eta vs tors. theta energy: -75.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -653.046676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.046676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.046676 (E_RNA)
where:
Base-Base interactions energy: -427.009
where: short stacking energy: -178.602
Base-Backbone interact. energy: 1.709
local terms energy: -227.746792
where:
bonds (distance) C4'-P energy: -50.683
bonds (distance) P-C4' energy: -53.638
flat angles C4'-P-C4' energy: -49.155
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -473.224283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.224283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.224283 (E_RNA)
where:
Base-Base interactions energy: -281.278
where: short stacking energy: -127.444
Base-Backbone interact. energy: 0.497
local terms energy: -192.443510
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1112.944330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.944330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.944330 (E_RNA)
where:
Base-Base interactions energy: -776.614
where: short stacking energy: -335.778
Base-Backbone interact. energy: 0.257
local terms energy: -336.586626
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -67.183
flat angles C4'-P-C4' energy: -70.046
flat angles P-C4'-P energy: -39.987
tors. eta vs tors. theta energy: -100.211
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: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1063.901156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.901156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.901156 (E_RNA)
where:
Base-Base interactions energy: -760.253
where: short stacking energy: -315.174
Base-Backbone interact. energy: 1.822
local terms energy: -305.469714
where:
bonds (distance) C4'-P energy: -41.415
bonds (distance) P-C4' energy: -61.858
flat angles C4'-P-C4' energy: -64.129
flat angles P-C4'-P energy: -54.368
tors. eta vs tors. theta energy: -83.700
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: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1004.739713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.739713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.739713 (E_RNA)
where:
Base-Base interactions energy: -691.970
where: short stacking energy: -310.532
Base-Backbone interact. energy: -0.769
local terms energy: -312.000224
where:
bonds (distance) C4'-P energy: -53.439
bonds (distance) P-C4' energy: -55.395
flat angles C4'-P-C4' energy: -64.929
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -89.194
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: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1028.485892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.485892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.485892 (E_RNA)
where:
Base-Base interactions energy: -702.450
where: short stacking energy: -310.867
Base-Backbone interact. energy: 0.037
local terms energy: -326.072831
where:
bonds (distance) C4'-P energy: -62.937
bonds (distance) P-C4' energy: -63.683
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -49.526
tors. eta vs tors. theta energy: -84.985
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: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -921.941090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.941090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.941090 (E_RNA)
where:
Base-Base interactions energy: -648.703
where: short stacking energy: -298.612
Base-Backbone interact. energy: -0.504
local terms energy: -272.734129
where:
bonds (distance) C4'-P energy: -48.594
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -59.424
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -78.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -898.221257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.221257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.221257 (E_RNA)
where:
Base-Base interactions energy: -611.310
where: short stacking energy: -248.937
Base-Backbone interact. energy: -0.193
local terms energy: -286.718111
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -63.706
flat angles C4'-P-C4' energy: -60.656
flat angles P-C4'-P energy: -48.544
tors. eta vs tors. theta energy: -73.753
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: 177
Temperature: 1.200000
Total energy: -839.037808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.037808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.037808 (E_RNA)
where:
Base-Base interactions energy: -589.470
where: short stacking energy: -258.786
Base-Backbone interact. energy: 0.098
local terms energy: -249.665327
where:
bonds (distance) C4'-P energy: -40.447
bonds (distance) P-C4' energy: -45.514
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -69.026
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: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -804.848067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.848067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.848067 (E_RNA)
where:
Base-Base interactions energy: -547.196
where: short stacking energy: -222.109
Base-Backbone interact. energy: -1.238
local terms energy: -256.413969
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -61.899
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -58.537
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: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -598.593071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.593071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.593071 (E_RNA)
where:
Base-Base interactions energy: -386.419
where: short stacking energy: -183.970
Base-Backbone interact. energy: -1.355
local terms energy: -210.819112
where:
bonds (distance) C4'-P energy: -48.470
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -45.074
flat angles P-C4'-P energy: -40.291
tors. eta vs tors. theta energy: -30.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -520.197502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.197502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.197502 (E_RNA)
where:
Base-Base interactions energy: -347.464
where: short stacking energy: -130.906
Base-Backbone interact. energy: 0.223
local terms energy: -172.956645
where:
bonds (distance) C4'-P energy: -34.416
bonds (distance) P-C4' energy: -57.331
flat angles C4'-P-C4' energy: -43.016
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1110.278025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.278025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.278025 (E_RNA)
where:
Base-Base interactions energy: -773.908
where: short stacking energy: -352.185
Base-Backbone interact. energy: 1.387
local terms energy: -337.756848
where:
bonds (distance) C4'-P energy: -56.226
bonds (distance) P-C4' energy: -62.706
flat angles C4'-P-C4' energy: -68.671
flat angles P-C4'-P energy: -51.897
tors. eta vs tors. theta energy: -98.257
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: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1056.037362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.037362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.037362 (E_RNA)
where:
Base-Base interactions energy: -745.567
where: short stacking energy: -294.031
Base-Backbone interact. energy: -3.261
local terms energy: -307.208922
where:
bonds (distance) C4'-P energy: -63.314
bonds (distance) P-C4' energy: -57.408
flat angles C4'-P-C4' energy: -58.117
flat angles P-C4'-P energy: -51.405
tors. eta vs tors. theta energy: -76.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1028.388121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.388121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.388121 (E_RNA)
where:
Base-Base interactions energy: -724.195
where: short stacking energy: -315.981
Base-Backbone interact. energy: 1.105
local terms energy: -305.298755
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -57.355
flat angles C4'-P-C4' energy: -64.299
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -87.749
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: 178
Temperature: 1.050000
Total energy: -994.553020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.553020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.553020 (E_RNA)
where:
Base-Base interactions energy: -676.058
where: short stacking energy: -311.497
Base-Backbone interact. energy: -1.496
local terms energy: -316.999641
where:
bonds (distance) C4'-P energy: -52.526
bonds (distance) P-C4' energy: -62.413
flat angles C4'-P-C4' energy: -67.792
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -88.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -930.449380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.449380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.449380 (E_RNA)
where:
Base-Base interactions energy: -636.468
where: short stacking energy: -288.959
Base-Backbone interact. energy: -1.601
local terms energy: -292.380726
where:
bonds (distance) C4'-P energy: -63.431
bonds (distance) P-C4' energy: -58.882
flat angles C4'-P-C4' energy: -47.782
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -86.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -879.305768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.305768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.305768 (E_RNA)
where:
Base-Base interactions energy: -602.556
where: short stacking energy: -261.008
Base-Backbone interact. energy: -0.430
local terms energy: -276.320340
where:
bonds (distance) C4'-P energy: -54.075
bonds (distance) P-C4' energy: -63.702
flat angles C4'-P-C4' energy: -61.623
flat angles P-C4'-P energy: -37.536
tors. eta vs tors. theta energy: -59.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -854.348577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.348577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.348577 (E_RNA)
where:
Base-Base interactions energy: -587.231
where: short stacking energy: -247.733
Base-Backbone interact. energy: 0.387
local terms energy: -267.504377
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -60.411
flat angles P-C4'-P energy: -35.053
tors. eta vs tors. theta energy: -65.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -749.134810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.134810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.134810 (E_RNA)
where:
Base-Base interactions energy: -501.278
where: short stacking energy: -223.004
Base-Backbone interact. energy: 0.663
local terms energy: -248.519624
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -57.577
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -51.025
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: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -576.958437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.958437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.958437 (E_RNA)
where:
Base-Base interactions energy: -358.993
where: short stacking energy: -161.867
Base-Backbone interact. energy: -1.232
local terms energy: -216.733983
where:
bonds (distance) C4'-P energy: -45.222
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -47.933
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -27.873
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: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -494.556790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.556790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.556790 (E_RNA)
where:
Base-Base interactions energy: -300.908
where: short stacking energy: -147.390
Base-Backbone interact. energy: 0.963
local terms energy: -194.611412
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -58.155
flat angles C4'-P-C4' energy: -49.475
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -25.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1118.204763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.204763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.204763 (E_RNA)
where:
Base-Base interactions energy: -776.110
where: short stacking energy: -347.365
Base-Backbone interact. energy: 0.076
local terms energy: -342.170456
where:
bonds (distance) C4'-P energy: -64.475
bonds (distance) P-C4' energy: -62.703
flat angles C4'-P-C4' energy: -71.343
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -99.985
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: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1085.513708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.513708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.513708 (E_RNA)
where:
Base-Base interactions energy: -763.476
where: short stacking energy: -304.438
Base-Backbone interact. energy: -1.466
local terms energy: -320.571789
where:
bonds (distance) C4'-P energy: -58.803
bonds (distance) P-C4' energy: -65.306
flat angles C4'-P-C4' energy: -68.517
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -82.470
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: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1031.503856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.503856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.503856 (E_RNA)
where:
Base-Base interactions energy: -709.058
where: short stacking energy: -287.168
Base-Backbone interact. energy: -0.352
local terms energy: -322.094449
where:
bonds (distance) C4'-P energy: -64.104
bonds (distance) P-C4' energy: -65.649
flat angles C4'-P-C4' energy: -61.137
flat angles P-C4'-P energy: -43.853
tors. eta vs tors. theta energy: -87.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1001.857442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.857442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.857442 (E_RNA)
where:
Base-Base interactions energy: -697.304
where: short stacking energy: -318.479
Base-Backbone interact. energy: -2.415
local terms energy: -302.138931
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -65.871
flat angles P-C4'-P energy: -45.067
tors. eta vs tors. theta energy: -82.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -917.947674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.947674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.947674 (E_RNA)
where:
Base-Base interactions energy: -634.202
where: short stacking energy: -282.034
Base-Backbone interact. energy: -1.602
local terms energy: -282.143865
where:
bonds (distance) C4'-P energy: -43.571
bonds (distance) P-C4' energy: -56.310
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -42.236
tors. eta vs tors. theta energy: -80.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -857.146012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.146012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.146012 (E_RNA)
where:
Base-Base interactions energy: -589.210
where: short stacking energy: -251.025
Base-Backbone interact. energy: 0.550
local terms energy: -268.485896
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -58.796
flat angles C4'-P-C4' energy: -60.792
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -57.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -823.611872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.611872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.611872 (E_RNA)
where:
Base-Base interactions energy: -565.209
where: short stacking energy: -258.914
Base-Backbone interact. energy: -1.988
local terms energy: -256.415435
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -57.345
flat angles C4'-P-C4' energy: -54.116
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -61.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -757.803628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.803628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.803628 (E_RNA)
where:
Base-Base interactions energy: -517.858
where: short stacking energy: -205.345
Base-Backbone interact. energy: 0.522
local terms energy: -240.467648
where:
bonds (distance) C4'-P energy: -51.948
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -54.525
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -45.756
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: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -609.352547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.352547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.352547 (E_RNA)
where:
Base-Base interactions energy: -386.143
where: short stacking energy: -180.409
Base-Backbone interact. energy: -0.226
local terms energy: -222.983727
where:
bonds (distance) C4'-P energy: -39.528
bonds (distance) P-C4' energy: -60.620
flat angles C4'-P-C4' energy: -63.268
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: -30.684
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: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -511.033880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.033880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.033880 (E_RNA)
where:
Base-Base interactions energy: -348.765
where: short stacking energy: -157.736
Base-Backbone interact. energy: 0.250
local terms energy: -162.518835
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -46.253
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1102.556051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.556051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.556051 (E_RNA)
where:
Base-Base interactions energy: -778.147
where: short stacking energy: -350.927
Base-Backbone interact. energy: -0.973
local terms energy: -323.435972
where:
bonds (distance) C4'-P energy: -57.322
bonds (distance) P-C4' energy: -63.652
flat angles C4'-P-C4' energy: -70.528
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -101.433
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: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1053.811112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.811112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.811112 (E_RNA)
where:
Base-Base interactions energy: -732.621
where: short stacking energy: -293.176
Base-Backbone interact. energy: -1.629
local terms energy: -319.560444
where:
bonds (distance) C4'-P energy: -66.552
bonds (distance) P-C4' energy: -60.397
flat angles C4'-P-C4' energy: -64.129
flat angles P-C4'-P energy: -47.894
tors. eta vs tors. theta energy: -80.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1050.790871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.790871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.790871 (E_RNA)
where:
Base-Base interactions energy: -739.356
where: short stacking energy: -308.296
Base-Backbone interact. energy: -0.026
local terms energy: -311.408812
where:
bonds (distance) C4'-P energy: -54.082
bonds (distance) P-C4' energy: -60.317
flat angles C4'-P-C4' energy: -64.668
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -89.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1017.532312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.532312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.532312 (E_RNA)
where:
Base-Base interactions energy: -714.965
where: short stacking energy: -312.479
Base-Backbone interact. energy: -1.667
local terms energy: -300.900253
where:
bonds (distance) C4'-P energy: -50.642
bonds (distance) P-C4' energy: -65.661
flat angles C4'-P-C4' energy: -65.437
flat angles P-C4'-P energy: -32.229
tors. eta vs tors. theta energy: -86.930
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: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -904.227234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.227234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.227234 (E_RNA)
where:
Base-Base interactions energy: -616.910
where: short stacking energy: -292.290
Base-Backbone interact. energy: -0.900
local terms energy: -286.417052
where:
bonds (distance) C4'-P energy: -43.431
bonds (distance) P-C4' energy: -50.405
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -85.383
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: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -876.240893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.240893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.240893 (E_RNA)
where:
Base-Base interactions energy: -586.622
where: short stacking energy: -257.623
Base-Backbone interact. energy: -1.347
local terms energy: -288.272282
where:
bonds (distance) C4'-P energy: -51.748
bonds (distance) P-C4' energy: -56.477
flat angles C4'-P-C4' energy: -61.112
flat angles P-C4'-P energy: -48.582
tors. eta vs tors. theta energy: -70.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -873.035146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.035146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.035146 (E_RNA)
where:
Base-Base interactions energy: -606.795
where: short stacking energy: -261.672
Base-Backbone interact. energy: 4.374
local terms energy: -270.614972
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -66.705
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: -70.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -812.065802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.065802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.065802 (E_RNA)
where:
Base-Base interactions energy: -565.677
where: short stacking energy: -234.527
Base-Backbone interact. energy: -0.418
local terms energy: -245.971392
where:
bonds (distance) C4'-P energy: -54.233
bonds (distance) P-C4' energy: -44.221
flat angles C4'-P-C4' energy: -56.632
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -57.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -589.992798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.992798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.992798 (E_RNA)
where:
Base-Base interactions energy: -365.708
where: short stacking energy: -167.055
Base-Backbone interact. energy: -1.402
local terms energy: -222.882531
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -47.748
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -30.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -548.624417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.624417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.624417 (E_RNA)
where:
Base-Base interactions energy: -313.147
where: short stacking energy: -155.853
Base-Backbone interact. energy: -1.211
local terms energy: -234.266779
where:
bonds (distance) C4'-P energy: -51.760
bonds (distance) P-C4' energy: -60.722
flat angles C4'-P-C4' energy: -51.217
flat angles P-C4'-P energy: -39.185
tors. eta vs tors. theta energy: -31.383
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: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1102.920534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.920534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.920534 (E_RNA)
where:
Base-Base interactions energy: -780.313
where: short stacking energy: -365.985
Base-Backbone interact. energy: 0.073
local terms energy: -322.680525
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -55.554
flat angles C4'-P-C4' energy: -70.579
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -103.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1094.580829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.580829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.580829 (E_RNA)
where:
Base-Base interactions energy: -761.942
where: short stacking energy: -322.017
Base-Backbone interact. energy: -1.374
local terms energy: -331.264576
where:
bonds (distance) C4'-P energy: -61.068
bonds (distance) P-C4' energy: -62.715
flat angles C4'-P-C4' energy: -72.042
flat angles P-C4'-P energy: -40.783
tors. eta vs tors. theta energy: -94.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1044.138476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.138476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.138476 (E_RNA)
where:
Base-Base interactions energy: -753.103
where: short stacking energy: -309.354
Base-Backbone interact. energy: 0.250
local terms energy: -291.286164
where:
bonds (distance) C4'-P energy: -49.968
bonds (distance) P-C4' energy: -60.296
flat angles C4'-P-C4' energy: -60.019
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -81.521
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: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -943.581653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.581653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.581653 (E_RNA)
where:
Base-Base interactions energy: -646.939
where: short stacking energy: -298.328
Base-Backbone interact. energy: -1.742
local terms energy: -294.900424
where:
bonds (distance) C4'-P energy: -56.640
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -59.987
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -82.475
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: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -932.689790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.689790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.689790 (E_RNA)
where:
Base-Base interactions energy: -639.948
where: short stacking energy: -288.271
Base-Backbone interact. energy: -1.076
local terms energy: -291.665463
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -49.567
flat angles C4'-P-C4' energy: -60.884
flat angles P-C4'-P energy: -45.462
tors. eta vs tors. theta energy: -83.918
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: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -906.972218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.972218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.972218 (E_RNA)
where:
Base-Base interactions energy: -614.836
where: short stacking energy: -280.650
Base-Backbone interact. energy: -0.423
local terms energy: -291.713048
where:
bonds (distance) C4'-P energy: -53.571
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -63.653
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -86.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -856.803853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.803853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.803853 (E_RNA)
where:
Base-Base interactions energy: -636.456
where: short stacking energy: -263.595
Base-Backbone interact. energy: -1.652
local terms energy: -218.696433
where:
bonds (distance) C4'-P energy: -37.331
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -30.910
tors. eta vs tors. theta energy: -64.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -814.961338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.961338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.961338 (E_RNA)
where:
Base-Base interactions energy: -557.222
where: short stacking energy: -242.215
Base-Backbone interact. energy: 1.133
local terms energy: -258.872475
where:
bonds (distance) C4'-P energy: -44.502
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -59.676
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -65.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -562.001289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.001289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.001289 (E_RNA)
where:
Base-Base interactions energy: -372.798
where: short stacking energy: -163.853
Base-Backbone interact. energy: 4.352
local terms energy: -193.555556
where:
bonds (distance) C4'-P energy: -47.387
bonds (distance) P-C4' energy: -44.582
flat angles C4'-P-C4' energy: -50.007
flat angles P-C4'-P energy: -35.675
tors. eta vs tors. theta energy: -15.905
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: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -572.840152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.840152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.840152 (E_RNA)
where:
Base-Base interactions energy: -354.546
where: short stacking energy: -182.068
Base-Backbone interact. energy: 0.023
local terms energy: -218.316898
where:
bonds (distance) C4'-P energy: -52.427
bonds (distance) P-C4' energy: -52.180
flat angles C4'-P-C4' energy: -46.425
flat angles P-C4'-P energy: -32.288
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1086.358359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.358359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.358359 (E_RNA)
where:
Base-Base interactions energy: -737.376
where: short stacking energy: -339.823
Base-Backbone interact. energy: -0.663
local terms energy: -348.319209
where:
bonds (distance) C4'-P energy: -67.065
bonds (distance) P-C4' energy: -61.232
flat angles C4'-P-C4' energy: -70.019
flat angles P-C4'-P energy: -55.253
tors. eta vs tors. theta energy: -94.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1087.418415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.418415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.418415 (E_RNA)
where:
Base-Base interactions energy: -764.030
where: short stacking energy: -329.880
Base-Backbone interact. energy: -0.982
local terms energy: -322.406347
where:
bonds (distance) C4'-P energy: -61.031
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -66.963
flat angles P-C4'-P energy: -45.249
tors. eta vs tors. theta energy: -96.595
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: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1047.443326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.443326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.443326 (E_RNA)
where:
Base-Base interactions energy: -760.827
where: short stacking energy: -298.955
Base-Backbone interact. energy: -1.445
local terms energy: -285.170569
where:
bonds (distance) C4'-P energy: -58.224
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -50.353
tors. eta vs tors. theta energy: -71.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -977.262938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.262938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.262938 (E_RNA)
where:
Base-Base interactions energy: -651.980
where: short stacking energy: -310.778
Base-Backbone interact. energy: -0.655
local terms energy: -324.627643
where:
bonds (distance) C4'-P energy: -55.113
bonds (distance) P-C4' energy: -60.008
flat angles C4'-P-C4' energy: -67.503
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -94.315
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: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -952.036980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.036980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.036980 (E_RNA)
where:
Base-Base interactions energy: -660.178
where: short stacking energy: -299.274
Base-Backbone interact. energy: -0.440
local terms energy: -291.418606
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -57.152
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -31.735
tors. eta vs tors. theta energy: -83.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -861.377464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.377464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.377464 (E_RNA)
where:
Base-Base interactions energy: -573.463
where: short stacking energy: -245.063
Base-Backbone interact. energy: -0.257
local terms energy: -287.657491
where:
bonds (distance) C4'-P energy: -60.984
bonds (distance) P-C4' energy: -51.199
flat angles C4'-P-C4' energy: -70.107
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -70.752
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: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -839.043955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.043955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.043955 (E_RNA)
where:
Base-Base interactions energy: -558.996
where: short stacking energy: -232.780
Base-Backbone interact. energy: -0.057
local terms energy: -279.991263
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -53.974
flat angles C4'-P-C4' energy: -60.710
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -68.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -823.393898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.393898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.393898 (E_RNA)
where:
Base-Base interactions energy: -547.981
where: short stacking energy: -237.912
Base-Backbone interact. energy: -0.570
local terms energy: -274.842677
where:
bonds (distance) C4'-P energy: -52.678
bonds (distance) P-C4' energy: -57.831
flat angles C4'-P-C4' energy: -68.714
flat angles P-C4'-P energy: -39.151
tors. eta vs tors. theta energy: -56.468
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: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -600.954482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.954482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.954482 (E_RNA)
where:
Base-Base interactions energy: -371.630
where: short stacking energy: -171.079
Base-Backbone interact. energy: 0.012
local terms energy: -229.335871
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -59.559
flat angles C4'-P-C4' energy: -47.153
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -28.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -523.410075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.410075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.410075 (E_RNA)
where:
Base-Base interactions energy: -310.055
where: short stacking energy: -157.690
Base-Backbone interact. energy: 1.435
local terms energy: -214.789927
where:
bonds (distance) C4'-P energy: -49.908
bonds (distance) P-C4' energy: -54.402
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -23.686
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: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1091.793860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.793860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.793860 (E_RNA)
where:
Base-Base interactions energy: -748.897
where: short stacking energy: -339.342
Base-Backbone interact. energy: -0.883
local terms energy: -342.013990
where:
bonds (distance) C4'-P energy: -59.567
bonds (distance) P-C4' energy: -61.872
flat angles C4'-P-C4' energy: -71.875
flat angles P-C4'-P energy: -53.423
tors. eta vs tors. theta energy: -95.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1059.789256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.789256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.789256 (E_RNA)
where:
Base-Base interactions energy: -754.154
where: short stacking energy: -292.873
Base-Backbone interact. energy: 2.142
local terms energy: -307.776605
where:
bonds (distance) C4'-P energy: -54.446
bonds (distance) P-C4' energy: -64.224
flat angles C4'-P-C4' energy: -69.431
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -74.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1066.296491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.296491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.296491 (E_RNA)
where:
Base-Base interactions energy: -746.904
where: short stacking energy: -311.521
Base-Backbone interact. energy: -0.972
local terms energy: -318.420431
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -65.893
flat angles C4'-P-C4' energy: -65.574
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: -90.524
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: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -985.970263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.970263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.970263 (E_RNA)
where:
Base-Base interactions energy: -668.790
where: short stacking energy: -297.273
Base-Backbone interact. energy: -0.905
local terms energy: -316.275670
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -56.110
flat angles C4'-P-C4' energy: -68.998
flat angles P-C4'-P energy: -42.955
tors. eta vs tors. theta energy: -89.295
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: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -952.563041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.563041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.563041 (E_RNA)
where:
Base-Base interactions energy: -654.257
where: short stacking energy: -265.792
Base-Backbone interact. energy: 0.604
local terms energy: -298.910091
where:
bonds (distance) C4'-P energy: -65.058
bonds (distance) P-C4' energy: -51.283
flat angles C4'-P-C4' energy: -69.940
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -74.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -887.967685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.967685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.967685 (E_RNA)
where:
Base-Base interactions energy: -589.311
where: short stacking energy: -279.820
Base-Backbone interact. energy: -1.211
local terms energy: -297.445779
where:
bonds (distance) C4'-P energy: -49.759
bonds (distance) P-C4' energy: -54.296
flat angles C4'-P-C4' energy: -70.433
flat angles P-C4'-P energy: -45.966
tors. eta vs tors. theta energy: -76.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -813.266550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.266550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.266550 (E_RNA)
where:
Base-Base interactions energy: -560.960
where: short stacking energy: -251.061
Base-Backbone interact. energy: -0.565
local terms energy: -251.742384
where:
bonds (distance) C4'-P energy: -49.640
bonds (distance) P-C4' energy: -53.036
flat angles C4'-P-C4' energy: -63.954
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -55.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -793.531942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.531942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.531942 (E_RNA)
where:
Base-Base interactions energy: -568.330
where: short stacking energy: -249.952
Base-Backbone interact. energy: 2.037
local terms energy: -227.238943
where:
bonds (distance) C4'-P energy: -48.790
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -51.294
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -59.372
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: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -569.927194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.927194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.927194 (E_RNA)
where:
Base-Base interactions energy: -359.526
where: short stacking energy: -165.140
Base-Backbone interact. energy: -0.894
local terms energy: -209.507233
where:
bonds (distance) C4'-P energy: -48.736
bonds (distance) P-C4' energy: -49.837
flat angles C4'-P-C4' energy: -54.352
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -26.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -533.890702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.890702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.890702 (E_RNA)
where:
Base-Base interactions energy: -341.263
where: short stacking energy: -166.337
Base-Backbone interact. energy: 2.180
local terms energy: -194.808251
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -51.881
flat angles C4'-P-C4' energy: -43.459
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1099.376925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.376925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.376925 (E_RNA)
where:
Base-Base interactions energy: -765.445
where: short stacking energy: -343.616
Base-Backbone interact. energy: 1.749
local terms energy: -335.681046
where:
bonds (distance) C4'-P energy: -59.693
bonds (distance) P-C4' energy: -62.074
flat angles C4'-P-C4' energy: -70.491
flat angles P-C4'-P energy: -45.804
tors. eta vs tors. theta energy: -97.619
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: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1065.418644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.418644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.418644 (E_RNA)
where:
Base-Base interactions energy: -748.921
where: short stacking energy: -301.116
Base-Backbone interact. energy: -2.421
local terms energy: -314.077252
where:
bonds (distance) C4'-P energy: -57.229
bonds (distance) P-C4' energy: -62.065
flat angles C4'-P-C4' energy: -72.432
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -78.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -991.729730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.729730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.729730 (E_RNA)
where:
Base-Base interactions energy: -675.613
where: short stacking energy: -329.168
Base-Backbone interact. energy: -1.126
local terms energy: -314.990217
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -59.970
flat angles C4'-P-C4' energy: -66.322
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -91.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1018.454242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.454242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.454242 (E_RNA)
where:
Base-Base interactions energy: -720.867
where: short stacking energy: -311.879
Base-Backbone interact. energy: 1.061
local terms energy: -298.648161
where:
bonds (distance) C4'-P energy: -52.358
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -34.060
tors. eta vs tors. theta energy: -90.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -927.490395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.490395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.490395 (E_RNA)
where:
Base-Base interactions energy: -639.077
where: short stacking energy: -284.433
Base-Backbone interact. energy: -1.468
local terms energy: -286.945703
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -59.380
flat angles C4'-P-C4' energy: -65.736
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -70.227
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: 184
Temperature: 1.150000
Total energy: -867.658671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.658671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.658671 (E_RNA)
where:
Base-Base interactions energy: -578.280
where: short stacking energy: -245.881
Base-Backbone interact. energy: -0.701
local terms energy: -288.677376
where:
bonds (distance) C4'-P energy: -55.694
bonds (distance) P-C4' energy: -55.617
flat angles C4'-P-C4' energy: -60.884
flat angles P-C4'-P energy: -42.328
tors. eta vs tors. theta energy: -74.153
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: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -829.720981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.720981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.720981 (E_RNA)
where:
Base-Base interactions energy: -576.900
where: short stacking energy: -250.112
Base-Backbone interact. energy: -0.922
local terms energy: -251.898285
where:
bonds (distance) C4'-P energy: -49.231
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -53.252
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: -59.153
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: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -688.539330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.539330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.539330 (E_RNA)
where:
Base-Base interactions energy: -462.183
where: short stacking energy: -200.814
Base-Backbone interact. energy: -1.753
local terms energy: -224.602690
where:
bonds (distance) C4'-P energy: -37.512
bonds (distance) P-C4' energy: -51.027
flat angles C4'-P-C4' energy: -54.665
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -51.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -579.648139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.648139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.648139 (E_RNA)
where:
Base-Base interactions energy: -354.681
where: short stacking energy: -176.563
Base-Backbone interact. energy: 1.000
local terms energy: -225.966936
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -56.772
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -32.508
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -550.310322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.310322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.310322 (E_RNA)
where:
Base-Base interactions energy: -334.846
where: short stacking energy: -162.205
Base-Backbone interact. energy: -0.914
local terms energy: -214.550189
where:
bonds (distance) C4'-P energy: -40.966
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -37.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1088.443612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.443612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.443612 (E_RNA)
where:
Base-Base interactions energy: -749.310
where: short stacking energy: -340.671
Base-Backbone interact. energy: -0.966
local terms energy: -338.167522
where:
bonds (distance) C4'-P energy: -53.436
bonds (distance) P-C4' energy: -63.096
flat angles C4'-P-C4' energy: -75.276
flat angles P-C4'-P energy: -46.870
tors. eta vs tors. theta energy: -99.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1070.277855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.277855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.277855 (E_RNA)
where:
Base-Base interactions energy: -754.814
where: short stacking energy: -312.494
Base-Backbone interact. energy: -3.126
local terms energy: -312.337792
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -64.193
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -49.540
tors. eta vs tors. theta energy: -76.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1004.801240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.801240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.801240 (E_RNA)
where:
Base-Base interactions energy: -683.858
where: short stacking energy: -311.623
Base-Backbone interact. energy: -1.639
local terms energy: -319.303719
where:
bonds (distance) C4'-P energy: -61.937
bonds (distance) P-C4' energy: -67.214
flat angles C4'-P-C4' energy: -62.808
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -81.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1009.299721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.299721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.299721 (E_RNA)
where:
Base-Base interactions energy: -701.872
where: short stacking energy: -313.199
Base-Backbone interact. energy: 1.969
local terms energy: -309.396547
where:
bonds (distance) C4'-P energy: -54.147
bonds (distance) P-C4' energy: -60.053
flat angles C4'-P-C4' energy: -63.958
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: -86.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -925.221088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.221088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.221088 (E_RNA)
where:
Base-Base interactions energy: -637.034
where: short stacking energy: -265.473
Base-Backbone interact. energy: -0.522
local terms energy: -287.665141
where:
bonds (distance) C4'-P energy: -51.133
bonds (distance) P-C4' energy: -61.433
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -71.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -850.049062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.049062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.049062 (E_RNA)
where:
Base-Base interactions energy: -578.822
where: short stacking energy: -261.639
Base-Backbone interact. energy: -0.834
local terms energy: -270.393019
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -56.357
flat angles C4'-P-C4' energy: -58.556
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -69.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -857.386110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.386110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.386110 (E_RNA)
where:
Base-Base interactions energy: -594.592
where: short stacking energy: -257.640
Base-Backbone interact. energy: -0.098
local terms energy: -262.695474
where:
bonds (distance) C4'-P energy: -45.572
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -59.003
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -68.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -679.359748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.359748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.359748 (E_RNA)
where:
Base-Base interactions energy: -452.531
where: short stacking energy: -204.990
Base-Backbone interact. energy: -0.138
local terms energy: -226.689925
where:
bonds (distance) C4'-P energy: -44.752
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -58.032
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -42.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -630.490593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.490593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.490593 (E_RNA)
where:
Base-Base interactions energy: -403.824
where: short stacking energy: -193.020
Base-Backbone interact. energy: -0.774
local terms energy: -225.892423
where:
bonds (distance) C4'-P energy: -47.879
bonds (distance) P-C4' energy: -54.404
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -52.515
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: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -494.965211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.965211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.965211 (E_RNA)
where:
Base-Base interactions energy: -311.854
where: short stacking energy: -144.264
Base-Backbone interact. energy: -0.195
local terms energy: -182.915452
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -54.649
flat angles C4'-P-C4' energy: -50.829
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -18.906
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: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1085.910446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.910446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.910446 (E_RNA)
where:
Base-Base interactions energy: -760.546
where: short stacking energy: -317.963
Base-Backbone interact. energy: 1.697
local terms energy: -327.061049
where:
bonds (distance) C4'-P energy: -55.036
bonds (distance) P-C4' energy: -60.820
flat angles C4'-P-C4' energy: -74.334
flat angles P-C4'-P energy: -54.435
tors. eta vs tors. theta energy: -82.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1073.667874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.667874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.667874 (E_RNA)
where:
Base-Base interactions energy: -740.586
where: short stacking energy: -329.492
Base-Backbone interact. energy: -1.803
local terms energy: -331.279603
where:
bonds (distance) C4'-P energy: -60.221
bonds (distance) P-C4' energy: -61.724
flat angles C4'-P-C4' energy: -68.799
flat angles P-C4'-P energy: -47.393
tors. eta vs tors. theta energy: -93.143
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: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1051.839460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.839460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.839460 (E_RNA)
where:
Base-Base interactions energy: -735.692
where: short stacking energy: -323.085
Base-Backbone interact. energy: -1.663
local terms energy: -314.484088
where:
bonds (distance) C4'-P energy: -57.543
bonds (distance) P-C4' energy: -54.354
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -98.042
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -981.544692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.544692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.544692 (E_RNA)
where:
Base-Base interactions energy: -657.641
where: short stacking energy: -298.849
Base-Backbone interact. energy: -0.508
local terms energy: -323.395375
where:
bonds (distance) C4'-P energy: -61.406
bonds (distance) P-C4' energy: -55.771
flat angles C4'-P-C4' energy: -68.694
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -87.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -943.527574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.527574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.527574 (E_RNA)
where:
Base-Base interactions energy: -653.873
where: short stacking energy: -291.286
Base-Backbone interact. energy: -1.287
local terms energy: -288.367142
where:
bonds (distance) C4'-P energy: -50.644
bonds (distance) P-C4' energy: -54.444
flat angles C4'-P-C4' energy: -61.749
flat angles P-C4'-P energy: -41.633
tors. eta vs tors. theta energy: -79.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -873.244969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.244969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.244969 (E_RNA)
where:
Base-Base interactions energy: -608.137
where: short stacking energy: -243.804
Base-Backbone interact. energy: -1.247
local terms energy: -263.861052
where:
bonds (distance) C4'-P energy: -54.303
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -58.983
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -67.410
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: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -844.077204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.077204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.077204 (E_RNA)
where:
Base-Base interactions energy: -570.587
where: short stacking energy: -248.320
Base-Backbone interact. energy: -1.574
local terms energy: -271.916453
where:
bonds (distance) C4'-P energy: -49.898
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -55.643
flat angles P-C4'-P energy: -34.745
tors. eta vs tors. theta energy: -73.179
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: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -685.683363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.683363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.683363 (E_RNA)
where:
Base-Base interactions energy: -438.606
where: short stacking energy: -205.028
Base-Backbone interact. energy: -0.289
local terms energy: -246.787509
where:
bonds (distance) C4'-P energy: -51.114
bonds (distance) P-C4' energy: -60.294
flat angles C4'-P-C4' energy: -53.035
flat angles P-C4'-P energy: -38.456
tors. eta vs tors. theta energy: -43.888
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: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -588.444423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.444423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.444423 (E_RNA)
where:
Base-Base interactions energy: -364.299
where: short stacking energy: -169.583
Base-Backbone interact. energy: -0.933
local terms energy: -223.212350
where:
bonds (distance) C4'-P energy: -43.336
bonds (distance) P-C4' energy: -63.951
flat angles C4'-P-C4' energy: -53.106
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: -34.483
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: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -527.569420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.569420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.569420 (E_RNA)
where:
Base-Base interactions energy: -312.512
where: short stacking energy: -144.370
Base-Backbone interact. energy: -1.373
local terms energy: -213.684916
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -53.157
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -34.088
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1090.781967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.781967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.781967 (E_RNA)
where:
Base-Base interactions energy: -769.947
where: short stacking energy: -327.718
Base-Backbone interact. energy: 1.330
local terms energy: -322.164972
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -73.682
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -87.329
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1062.023502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.023502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.023502 (E_RNA)
where:
Base-Base interactions energy: -733.358
where: short stacking energy: -326.074
Base-Backbone interact. energy: 0.205
local terms energy: -328.870342
where:
bonds (distance) C4'-P energy: -58.116
bonds (distance) P-C4' energy: -64.135
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -42.841
tors. eta vs tors. theta energy: -96.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1052.379569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.379569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.379569 (E_RNA)
where:
Base-Base interactions energy: -736.983
where: short stacking energy: -328.338
Base-Backbone interact. energy: -0.174
local terms energy: -315.222360
where:
bonds (distance) C4'-P energy: -56.210
bonds (distance) P-C4' energy: -57.205
flat angles C4'-P-C4' energy: -61.643
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -93.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -972.414044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.414044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.414044 (E_RNA)
where:
Base-Base interactions energy: -676.501
where: short stacking energy: -285.930
Base-Backbone interact. energy: -1.031
local terms energy: -294.881521
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -62.873
flat angles C4'-P-C4' energy: -61.596
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -77.607
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: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -930.467414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.467414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.467414 (E_RNA)
where:
Base-Base interactions energy: -631.645
where: short stacking energy: -277.037
Base-Backbone interact. energy: -1.218
local terms energy: -297.603872
where:
bonds (distance) C4'-P energy: -54.566
bonds (distance) P-C4' energy: -54.649
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: -83.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -843.014790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.014790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.014790 (E_RNA)
where:
Base-Base interactions energy: -569.630
where: short stacking energy: -251.942
Base-Backbone interact. energy: -0.922
local terms energy: -272.462807
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -60.152
flat angles C4'-P-C4' energy: -64.210
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -61.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -836.775349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.775349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.775349 (E_RNA)
where:
Base-Base interactions energy: -569.417
where: short stacking energy: -239.838
Base-Backbone interact. energy: -0.868
local terms energy: -266.490343
where:
bonds (distance) C4'-P energy: -48.146
bonds (distance) P-C4' energy: -46.102
flat angles C4'-P-C4' energy: -61.505
flat angles P-C4'-P energy: -45.664
tors. eta vs tors. theta energy: -65.073
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: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -674.959247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.959247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.959247 (E_RNA)
where:
Base-Base interactions energy: -446.255
where: short stacking energy: -192.457
Base-Backbone interact. energy: 0.609
local terms energy: -229.312837
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -56.149
flat angles C4'-P-C4' energy: -52.756
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: -44.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -598.872324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.872324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.872324 (E_RNA)
where:
Base-Base interactions energy: -374.751
where: short stacking energy: -163.626
Base-Backbone interact. energy: 5.153
local terms energy: -229.274374
where:
bonds (distance) C4'-P energy: -60.675
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -30.675
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: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -504.921359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.921359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.921359 (E_RNA)
where:
Base-Base interactions energy: -335.195
where: short stacking energy: -143.187
Base-Backbone interact. energy: 2.189
local terms energy: -171.914441
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -40.150
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1094.594642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.594642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.594642 (E_RNA)
where:
Base-Base interactions energy: -775.001
where: short stacking energy: -309.572
Base-Backbone interact. energy: 0.608
local terms energy: -320.201844
where:
bonds (distance) C4'-P energy: -54.876
bonds (distance) P-C4' energy: -64.904
flat angles C4'-P-C4' energy: -72.120
flat angles P-C4'-P energy: -47.105
tors. eta vs tors. theta energy: -81.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1071.860848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.860848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.860848 (E_RNA)
where:
Base-Base interactions energy: -728.052
where: short stacking energy: -322.599
Base-Backbone interact. energy: -2.012
local terms energy: -341.796409
where:
bonds (distance) C4'-P energy: -59.694
bonds (distance) P-C4' energy: -70.516
flat angles C4'-P-C4' energy: -67.882
flat angles P-C4'-P energy: -49.030
tors. eta vs tors. theta energy: -94.675
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: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1043.596140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.596140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.596140 (E_RNA)
where:
Base-Base interactions energy: -725.713
where: short stacking energy: -327.105
Base-Backbone interact. energy: -0.491
local terms energy: -317.392334
where:
bonds (distance) C4'-P energy: -50.673
bonds (distance) P-C4' energy: -64.635
flat angles C4'-P-C4' energy: -61.330
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -91.640
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: 188
Temperature: 1.050000
Total energy: -1003.797272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.797272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.797272 (E_RNA)
where:
Base-Base interactions energy: -697.879
where: short stacking energy: -294.747
Base-Backbone interact. energy: -2.759
local terms energy: -303.159935
where:
bonds (distance) C4'-P energy: -55.474
bonds (distance) P-C4' energy: -55.612
flat angles C4'-P-C4' energy: -70.683
flat angles P-C4'-P energy: -45.072
tors. eta vs tors. theta energy: -76.319
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: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -881.789645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.789645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.789645 (E_RNA)
where:
Base-Base interactions energy: -594.366
where: short stacking energy: -271.469
Base-Backbone interact. energy: 0.208
local terms energy: -287.632415
where:
bonds (distance) C4'-P energy: -55.654
bonds (distance) P-C4' energy: -62.057
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -70.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -908.489177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.489177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.489177 (E_RNA)
where:
Base-Base interactions energy: -630.056
where: short stacking energy: -283.715
Base-Backbone interact. energy: -1.510
local terms energy: -276.923366
where:
bonds (distance) C4'-P energy: -43.580
bonds (distance) P-C4' energy: -57.648
flat angles C4'-P-C4' energy: -51.856
flat angles P-C4'-P energy: -42.991
tors. eta vs tors. theta energy: -80.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -855.377030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.377030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.377030 (E_RNA)
where:
Base-Base interactions energy: -584.716
where: short stacking energy: -269.924
Base-Backbone interact. energy: 2.963
local terms energy: -273.623360
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -42.963
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -39.418
tors. eta vs tors. theta energy: -71.618
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: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -658.293798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.293798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.293798 (E_RNA)
where:
Base-Base interactions energy: -416.018
where: short stacking energy: -193.703
Base-Backbone interact. energy: -2.253
local terms energy: -240.022414
where:
bonds (distance) C4'-P energy: -47.413
bonds (distance) P-C4' energy: -61.336
flat angles C4'-P-C4' energy: -52.003
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -39.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -573.454948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.454948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.454948 (E_RNA)
where:
Base-Base interactions energy: -383.410
where: short stacking energy: -169.754
Base-Backbone interact. energy: -1.173
local terms energy: -188.872303
where:
bonds (distance) C4'-P energy: -54.876
bonds (distance) P-C4' energy: -50.586
flat angles C4'-P-C4' energy: -47.557
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -463.629244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.629244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.629244 (E_RNA)
where:
Base-Base interactions energy: -287.602
where: short stacking energy: -133.403
Base-Backbone interact. energy: -2.643
local terms energy: -173.384234
where:
bonds (distance) C4'-P energy: -42.839
bonds (distance) P-C4' energy: -46.565
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1098.192467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.192467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.192467 (E_RNA)
where:
Base-Base interactions energy: -770.941
where: short stacking energy: -300.297
Base-Backbone interact. energy: -0.529
local terms energy: -326.722612
where:
bonds (distance) C4'-P energy: -57.898
bonds (distance) P-C4' energy: -72.137
flat angles C4'-P-C4' energy: -68.852
flat angles P-C4'-P energy: -46.548
tors. eta vs tors. theta energy: -81.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1096.223938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.223938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.223938 (E_RNA)
where:
Base-Base interactions energy: -750.162
where: short stacking energy: -340.521
Base-Backbone interact. energy: 2.351
local terms energy: -348.412171
where:
bonds (distance) C4'-P energy: -60.501
bonds (distance) P-C4' energy: -68.215
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -49.560
tors. eta vs tors. theta energy: -97.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1058.455868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.455868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.455868 (E_RNA)
where:
Base-Base interactions energy: -734.713
where: short stacking energy: -327.296
Base-Backbone interact. energy: -0.805
local terms energy: -322.938533
where:
bonds (distance) C4'-P energy: -56.962
bonds (distance) P-C4' energy: -58.478
flat angles C4'-P-C4' energy: -66.599
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -94.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -997.626178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.626178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.626178 (E_RNA)
where:
Base-Base interactions energy: -677.706
where: short stacking energy: -332.869
Base-Backbone interact. energy: -1.459
local terms energy: -318.461261
where:
bonds (distance) C4'-P energy: -46.436
bonds (distance) P-C4' energy: -63.162
flat angles C4'-P-C4' energy: -67.771
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -96.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -897.137473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.137473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.137473 (E_RNA)
where:
Base-Base interactions energy: -603.729
where: short stacking energy: -259.549
Base-Backbone interact. energy: -0.855
local terms energy: -292.553081
where:
bonds (distance) C4'-P energy: -62.060
bonds (distance) P-C4' energy: -57.814
flat angles C4'-P-C4' energy: -61.383
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -66.817
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: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -845.465708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.465708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.465708 (E_RNA)
where:
Base-Base interactions energy: -591.569
where: short stacking energy: -256.820
Base-Backbone interact. energy: -0.250
local terms energy: -253.646633
where:
bonds (distance) C4'-P energy: -44.388
bonds (distance) P-C4' energy: -49.240
flat angles C4'-P-C4' energy: -60.139
flat angles P-C4'-P energy: -29.092
tors. eta vs tors. theta energy: -70.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -852.166272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.166272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.166272 (E_RNA)
where:
Base-Base interactions energy: -573.569
where: short stacking energy: -235.843
Base-Backbone interact. energy: -0.963
local terms energy: -277.633646
where:
bonds (distance) C4'-P energy: -55.300
bonds (distance) P-C4' energy: -60.557
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -31.401
tors. eta vs tors. theta energy: -65.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -647.183968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.183968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.183968 (E_RNA)
where:
Base-Base interactions energy: -422.670
where: short stacking energy: -184.107
Base-Backbone interact. energy: -0.850
local terms energy: -223.664486
where:
bonds (distance) C4'-P energy: -53.816
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -43.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -624.521188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.521188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.521188 (E_RNA)
where:
Base-Base interactions energy: -399.145
where: short stacking energy: -172.499
Base-Backbone interact. energy: -0.436
local terms energy: -224.940391
where:
bonds (distance) C4'-P energy: -47.578
bonds (distance) P-C4' energy: -51.071
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -32.061
tors. eta vs tors. theta energy: -40.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -407.139048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.139048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.139048 (E_RNA)
where:
Base-Base interactions energy: -234.936
where: short stacking energy: -112.982
Base-Backbone interact. energy: -1.188
local terms energy: -171.014192
where:
bonds (distance) C4'-P energy: -42.601
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -26.347
tors. eta vs tors. theta energy: -11.916
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: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1087.495930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.495930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.495930 (E_RNA)
where:
Base-Base interactions energy: -757.889
where: short stacking energy: -338.296
Base-Backbone interact. energy: -1.761
local terms energy: -327.846295
where:
bonds (distance) C4'-P energy: -60.880
bonds (distance) P-C4' energy: -60.373
flat angles C4'-P-C4' energy: -66.187
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -96.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1067.243375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.243375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.243375 (E_RNA)
where:
Base-Base interactions energy: -744.104
where: short stacking energy: -305.630
Base-Backbone interact. energy: -1.606
local terms energy: -321.533806
where:
bonds (distance) C4'-P energy: -54.177
bonds (distance) P-C4' energy: -67.172
flat angles C4'-P-C4' energy: -67.535
flat angles P-C4'-P energy: -50.250
tors. eta vs tors. theta energy: -82.400
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: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1054.985615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.985615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.985615 (E_RNA)
where:
Base-Base interactions energy: -731.082
where: short stacking energy: -312.977
Base-Backbone interact. energy: -0.263
local terms energy: -323.640245
where:
bonds (distance) C4'-P energy: -47.755
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -49.094
tors. eta vs tors. theta energy: -96.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1004.565259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.565259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.565259 (E_RNA)
where:
Base-Base interactions energy: -685.328
where: short stacking energy: -332.269
Base-Backbone interact. energy: -0.225
local terms energy: -319.012423
where:
bonds (distance) C4'-P energy: -49.086
bonds (distance) P-C4' energy: -58.058
flat angles C4'-P-C4' energy: -68.274
flat angles P-C4'-P energy: -45.953
tors. eta vs tors. theta energy: -97.642
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: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -883.155024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.155024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.155024 (E_RNA)
where:
Base-Base interactions energy: -594.937
where: short stacking energy: -261.129
Base-Backbone interact. energy: -1.241
local terms energy: -286.976291
where:
bonds (distance) C4'-P energy: -50.585
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -43.941
tors. eta vs tors. theta energy: -74.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -867.813692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.813692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.813692 (E_RNA)
where:
Base-Base interactions energy: -593.645
where: short stacking energy: -269.034
Base-Backbone interact. energy: -0.530
local terms energy: -273.638645
where:
bonds (distance) C4'-P energy: -53.135
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -38.283
tors. eta vs tors. theta energy: -68.496
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -864.033942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.033942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.033942 (E_RNA)
where:
Base-Base interactions energy: -595.542
where: short stacking energy: -252.163
Base-Backbone interact. energy: -0.155
local terms energy: -268.336426
where:
bonds (distance) C4'-P energy: -52.261
bonds (distance) P-C4' energy: -59.789
flat angles C4'-P-C4' energy: -55.180
flat angles P-C4'-P energy: -34.690
tors. eta vs tors. theta energy: -66.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -686.415887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.415887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.415887 (E_RNA)
where:
Base-Base interactions energy: -455.618
where: short stacking energy: -211.874
Base-Backbone interact. energy: 1.753
local terms energy: -232.550355
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -51.095
flat angles C4'-P-C4' energy: -50.675
flat angles P-C4'-P energy: -28.844
tors. eta vs tors. theta energy: -48.533
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: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -599.748276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.748276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.748276 (E_RNA)
where:
Base-Base interactions energy: -388.587
where: short stacking energy: -162.221
Base-Backbone interact. energy: -0.514
local terms energy: -210.647366
where:
bonds (distance) C4'-P energy: -50.765
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -50.622
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -26.321
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: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -375.187354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.187354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.187354 (E_RNA)
where:
Base-Base interactions energy: -181.575
where: short stacking energy: -110.661
Base-Backbone interact. energy: 0.656
local terms energy: -194.268545
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -54.805
flat angles C4'-P-C4' energy: -54.115
flat angles P-C4'-P energy: -29.861
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1097.543991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.543991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.543991 (E_RNA)
where:
Base-Base interactions energy: -752.534
where: short stacking energy: -348.664
Base-Backbone interact. energy: -1.382
local terms energy: -343.627543
where:
bonds (distance) C4'-P energy: -68.914
bonds (distance) P-C4' energy: -61.441
flat angles C4'-P-C4' energy: -69.671
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -100.302
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: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1082.461758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.461758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.461758 (E_RNA)
where:
Base-Base interactions energy: -760.818
where: short stacking energy: -303.847
Base-Backbone interact. energy: -4.905
local terms energy: -316.738946
where:
bonds (distance) C4'-P energy: -65.326
bonds (distance) P-C4' energy: -58.706
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -54.030
tors. eta vs tors. theta energy: -73.498
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: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1039.224869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.224869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.224869 (E_RNA)
where:
Base-Base interactions energy: -706.811
where: short stacking energy: -323.922
Base-Backbone interact. energy: -3.011
local terms energy: -329.403175
where:
bonds (distance) C4'-P energy: -56.996
bonds (distance) P-C4' energy: -63.435
flat angles C4'-P-C4' energy: -66.302
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -98.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1008.652823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.652823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.652823 (E_RNA)
where:
Base-Base interactions energy: -693.782
where: short stacking energy: -305.295
Base-Backbone interact. energy: -0.778
local terms energy: -314.092820
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -60.067
flat angles C4'-P-C4' energy: -59.350
flat angles P-C4'-P energy: -42.996
tors. eta vs tors. theta energy: -93.448
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: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -883.593501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.593501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.593501 (E_RNA)
where:
Base-Base interactions energy: -591.492
where: short stacking energy: -269.441
Base-Backbone interact. energy: -2.093
local terms energy: -290.008779
where:
bonds (distance) C4'-P energy: -60.302
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -65.041
flat angles P-C4'-P energy: -35.300
tors. eta vs tors. theta energy: -82.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -856.131913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.131913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.131913 (E_RNA)
where:
Base-Base interactions energy: -589.138
where: short stacking energy: -252.032
Base-Backbone interact. energy: -1.010
local terms energy: -265.983129
where:
bonds (distance) C4'-P energy: -60.948
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -56.174
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -60.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -889.604982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.604982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.604982 (E_RNA)
where:
Base-Base interactions energy: -622.287
where: short stacking energy: -257.998
Base-Backbone interact. energy: -0.584
local terms energy: -266.734798
where:
bonds (distance) C4'-P energy: -59.047
bonds (distance) P-C4' energy: -52.373
flat angles C4'-P-C4' energy: -53.392
flat angles P-C4'-P energy: -40.909
tors. eta vs tors. theta energy: -61.012
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: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -720.046936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.046936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.046936 (E_RNA)
where:
Base-Base interactions energy: -467.582
where: short stacking energy: -210.803
Base-Backbone interact. energy: -1.706
local terms energy: -250.758914
where:
bonds (distance) C4'-P energy: -54.897
bonds (distance) P-C4' energy: -56.291
flat angles C4'-P-C4' energy: -56.384
flat angles P-C4'-P energy: -30.165
tors. eta vs tors. theta energy: -53.023
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: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -623.815801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.815801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.815801 (E_RNA)
where:
Base-Base interactions energy: -399.589
where: short stacking energy: -170.850
Base-Backbone interact. energy: 1.497
local terms energy: -225.723622
where:
bonds (distance) C4'-P energy: -47.486
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -35.174
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: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -315.869528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.869528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.869528 (E_RNA)
where:
Base-Base interactions energy: -141.681
where: short stacking energy: -67.452
Base-Backbone interact. energy: -1.524
local terms energy: -172.664398
where:
bonds (distance) C4'-P energy: -49.471
bonds (distance) P-C4' energy: -60.562
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: 5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1077.195001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.195001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.195001 (E_RNA)
where:
Base-Base interactions energy: -748.003
where: short stacking energy: -351.165
Base-Backbone interact. energy: 0.888
local terms energy: -330.079082
where:
bonds (distance) C4'-P energy: -57.148
bonds (distance) P-C4' energy: -62.387
flat angles C4'-P-C4' energy: -73.317
flat angles P-C4'-P energy: -46.997
tors. eta vs tors. theta energy: -90.229
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: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1081.409762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.409762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.409762 (E_RNA)
where:
Base-Base interactions energy: -776.434
where: short stacking energy: -306.048
Base-Backbone interact. energy: -1.668
local terms energy: -303.308499
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -50.907
flat angles C4'-P-C4' energy: -64.164
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -81.656
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: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1064.791536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.791536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.791536 (E_RNA)
where:
Base-Base interactions energy: -743.909
where: short stacking energy: -327.175
Base-Backbone interact. energy: -1.640
local terms energy: -319.242639
where:
bonds (distance) C4'-P energy: -58.077
bonds (distance) P-C4' energy: -57.381
flat angles C4'-P-C4' energy: -67.302
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -92.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1033.302646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.302646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.302646 (E_RNA)
where:
Base-Base interactions energy: -720.645
where: short stacking energy: -333.443
Base-Backbone interact. energy: -0.683
local terms energy: -311.975313
where:
bonds (distance) C4'-P energy: -53.059
bonds (distance) P-C4' energy: -58.913
flat angles C4'-P-C4' energy: -62.347
flat angles P-C4'-P energy: -39.278
tors. eta vs tors. theta energy: -98.379
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: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -895.134333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.134333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.134333 (E_RNA)
where:
Base-Base interactions energy: -617.542
where: short stacking energy: -289.472
Base-Backbone interact. energy: -1.014
local terms energy: -276.578794
where:
bonds (distance) C4'-P energy: -52.752
bonds (distance) P-C4' energy: -47.064
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -44.238
tors. eta vs tors. theta energy: -74.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -856.490385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.490385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.490385 (E_RNA)
where:
Base-Base interactions energy: -592.369
where: short stacking energy: -269.667
Base-Backbone interact. energy: 4.916
local terms energy: -269.037570
where:
bonds (distance) C4'-P energy: -52.962
bonds (distance) P-C4' energy: -37.337
flat angles C4'-P-C4' energy: -63.517
flat angles P-C4'-P energy: -40.975
tors. eta vs tors. theta energy: -74.246
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: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -878.189817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.189817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.189817 (E_RNA)
where:
Base-Base interactions energy: -617.721
where: short stacking energy: -274.791
Base-Backbone interact. energy: -3.555
local terms energy: -256.913704
where:
bonds (distance) C4'-P energy: -58.929
bonds (distance) P-C4' energy: -41.222
flat angles C4'-P-C4' energy: -61.313
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -73.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -689.398487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.398487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.398487 (E_RNA)
where:
Base-Base interactions energy: -460.261
where: short stacking energy: -220.325
Base-Backbone interact. energy: 2.418
local terms energy: -231.554956
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -50.548
flat angles C4'-P-C4' energy: -54.168
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -36.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -602.573009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.573009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.573009 (E_RNA)
where:
Base-Base interactions energy: -388.351
where: short stacking energy: -168.318
Base-Backbone interact. energy: 0.108
local terms energy: -214.329103
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -57.288
flat angles C4'-P-C4' energy: -39.686
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -36.694
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: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -270.413584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.413584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.413584 (E_RNA)
where:
Base-Base interactions energy: -126.825
where: short stacking energy: -88.996
Base-Backbone interact. energy: 2.326
local terms energy: -145.914339
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -45.761
flat angles C4'-P-C4' energy: -41.211
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: 7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1086.192657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.192657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.192657 (E_RNA)
where:
Base-Base interactions energy: -756.189
where: short stacking energy: -342.176
Base-Backbone interact. energy: -0.799
local terms energy: -329.205427
where:
bonds (distance) C4'-P energy: -64.333
bonds (distance) P-C4' energy: -62.844
flat angles C4'-P-C4' energy: -68.084
flat angles P-C4'-P energy: -45.573
tors. eta vs tors. theta energy: -88.372
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: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1064.665838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.665838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.665838 (E_RNA)
where:
Base-Base interactions energy: -754.695
where: short stacking energy: -305.993
Base-Backbone interact. energy: 0.424
local terms energy: -310.394726
where:
bonds (distance) C4'-P energy: -61.008
bonds (distance) P-C4' energy: -60.147
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -49.311
tors. eta vs tors. theta energy: -74.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1069.691659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.691659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.691659 (E_RNA)
where:
Base-Base interactions energy: -742.493
where: short stacking energy: -325.552
Base-Backbone interact. energy: -2.270
local terms energy: -324.928016
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -63.217
flat angles C4'-P-C4' energy: -66.480
flat angles P-C4'-P energy: -43.835
tors. eta vs tors. theta energy: -93.562
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: 193
Temperature: 1.050000
Total energy: -1026.327860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.327860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.327860 (E_RNA)
where:
Base-Base interactions energy: -716.132
where: short stacking energy: -318.273
Base-Backbone interact. energy: 6.156
local terms energy: -316.351824
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -50.935
flat angles C4'-P-C4' energy: -62.878
flat angles P-C4'-P energy: -47.027
tors. eta vs tors. theta energy: -99.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -923.448528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.448528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.448528 (E_RNA)
where:
Base-Base interactions energy: -625.018
where: short stacking energy: -277.650
Base-Backbone interact. energy: -0.439
local terms energy: -297.992063
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -58.323
flat angles C4'-P-C4' energy: -66.799
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -78.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -963.865641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.865641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.865641 (E_RNA)
where:
Base-Base interactions energy: -662.659
where: short stacking energy: -283.137
Base-Backbone interact. energy: 0.603
local terms energy: -301.810277
where:
bonds (distance) C4'-P energy: -55.516
bonds (distance) P-C4' energy: -60.319
flat angles C4'-P-C4' energy: -64.428
flat angles P-C4'-P energy: -41.017
tors. eta vs tors. theta energy: -80.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -824.817151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.817151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.817151 (E_RNA)
where:
Base-Base interactions energy: -553.052
where: short stacking energy: -234.667
Base-Backbone interact. energy: 0.083
local terms energy: -271.847343
where:
bonds (distance) C4'-P energy: -46.761
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -62.050
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -71.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -694.214827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.214827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.214827 (E_RNA)
where:
Base-Base interactions energy: -462.446
where: short stacking energy: -196.794
Base-Backbone interact. energy: -3.641
local terms energy: -228.127472
where:
bonds (distance) C4'-P energy: -43.353
bonds (distance) P-C4' energy: -40.939
flat angles C4'-P-C4' energy: -68.066
flat angles P-C4'-P energy: -29.218
tors. eta vs tors. theta energy: -46.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -600.524697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.524697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.524697 (E_RNA)
where:
Base-Base interactions energy: -382.692
where: short stacking energy: -166.120
Base-Backbone interact. energy: -0.130
local terms energy: -217.702726
where:
bonds (distance) C4'-P energy: -46.100
bonds (distance) P-C4' energy: -59.119
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -32.661
tors. eta vs tors. theta energy: -28.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -276.726552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.726552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.726552 (E_RNA)
where:
Base-Base interactions energy: -106.916
where: short stacking energy: -85.096
Base-Backbone interact. energy: -0.737
local terms energy: -169.073290
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -45.695
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -27.714
tors. eta vs tors. theta energy: 0.727
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: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1088.020300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.020300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.020300 (E_RNA)
where:
Base-Base interactions energy: -769.786
where: short stacking energy: -306.556
Base-Backbone interact. energy: 1.559
local terms energy: -319.793445
where:
bonds (distance) C4'-P energy: -60.523
bonds (distance) P-C4' energy: -65.809
flat angles C4'-P-C4' energy: -69.901
flat angles P-C4'-P energy: -42.983
tors. eta vs tors. theta energy: -80.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1063.300991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.300991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.300991 (E_RNA)
where:
Base-Base interactions energy: -721.232
where: short stacking energy: -332.498
Base-Backbone interact. energy: -2.720
local terms energy: -339.348280
where:
bonds (distance) C4'-P energy: -59.929
bonds (distance) P-C4' energy: -63.405
flat angles C4'-P-C4' energy: -68.934
flat angles P-C4'-P energy: -46.606
tors. eta vs tors. theta energy: -100.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1061.083213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.083213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.083213 (E_RNA)
where:
Base-Base interactions energy: -720.965
where: short stacking energy: -326.863
Base-Backbone interact. energy: -0.377
local terms energy: -339.740832
where:
bonds (distance) C4'-P energy: -62.787
bonds (distance) P-C4' energy: -57.788
flat angles C4'-P-C4' energy: -74.250
flat angles P-C4'-P energy: -45.561
tors. eta vs tors. theta energy: -99.356
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: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1017.903366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.903366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.903366 (E_RNA)
where:
Base-Base interactions energy: -710.975
where: short stacking energy: -323.342
Base-Backbone interact. energy: 1.149
local terms energy: -308.076916
where:
bonds (distance) C4'-P energy: -56.309
bonds (distance) P-C4' energy: -55.091
flat angles C4'-P-C4' energy: -65.151
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -92.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -953.758017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.758017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.758017 (E_RNA)
where:
Base-Base interactions energy: -669.140
where: short stacking energy: -300.180
Base-Backbone interact. energy: 0.469
local terms energy: -285.086505
where:
bonds (distance) C4'-P energy: -59.646
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -56.627
flat angles P-C4'-P energy: -32.526
tors. eta vs tors. theta energy: -81.840
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -851.960192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.960192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.960192 (E_RNA)
where:
Base-Base interactions energy: -586.205
where: short stacking energy: -257.650
Base-Backbone interact. energy: 3.200
local terms energy: -268.955268
where:
bonds (distance) C4'-P energy: -48.836
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -63.626
flat angles P-C4'-P energy: -43.313
tors. eta vs tors. theta energy: -60.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -824.475974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.475974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.475974 (E_RNA)
where:
Base-Base interactions energy: -553.749
where: short stacking energy: -237.131
Base-Backbone interact. energy: 0.894
local terms energy: -271.620511
where:
bonds (distance) C4'-P energy: -49.861
bonds (distance) P-C4' energy: -58.470
flat angles C4'-P-C4' energy: -55.917
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -68.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -709.482851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.482851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.482851 (E_RNA)
where:
Base-Base interactions energy: -477.498
where: short stacking energy: -206.912
Base-Backbone interact. energy: -1.479
local terms energy: -230.505556
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -40.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -605.773526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.773526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.773526 (E_RNA)
where:
Base-Base interactions energy: -394.204
where: short stacking energy: -169.138
Base-Backbone interact. energy: -0.258
local terms energy: -211.311335
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -38.310
flat angles C4'-P-C4' energy: -53.403
flat angles P-C4'-P energy: -39.768
tors. eta vs tors. theta energy: -30.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -328.027413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.027413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.027413 (E_RNA)
where:
Base-Base interactions energy: -146.987
where: short stacking energy: -110.834
Base-Backbone interact. energy: 2.066
local terms energy: -183.106910
where:
bonds (distance) C4'-P energy: -58.184
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -6.633
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: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1075.776251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.776251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.776251 (E_RNA)
where:
Base-Base interactions energy: -766.350
where: short stacking energy: -315.966
Base-Backbone interact. energy: -3.103
local terms energy: -306.323105
where:
bonds (distance) C4'-P energy: -59.157
bonds (distance) P-C4' energy: -65.094
flat angles C4'-P-C4' energy: -66.423
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -73.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1077.340208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.340208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.340208 (E_RNA)
where:
Base-Base interactions energy: -756.802
where: short stacking energy: -329.454
Base-Backbone interact. energy: 0.154
local terms energy: -320.692004
where:
bonds (distance) C4'-P energy: -58.342
bonds (distance) P-C4' energy: -58.771
flat angles C4'-P-C4' energy: -61.841
flat angles P-C4'-P energy: -47.312
tors. eta vs tors. theta energy: -94.426
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: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1029.514620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.514620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.514620 (E_RNA)
where:
Base-Base interactions energy: -732.569
where: short stacking energy: -327.207
Base-Backbone interact. energy: -0.417
local terms energy: -296.528287
where:
bonds (distance) C4'-P energy: -55.460
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -36.974
tors. eta vs tors. theta energy: -94.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1013.010702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.010702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.010702 (E_RNA)
where:
Base-Base interactions energy: -694.475
where: short stacking energy: -319.196
Base-Backbone interact. energy: -1.423
local terms energy: -317.112405
where:
bonds (distance) C4'-P energy: -59.473
bonds (distance) P-C4' energy: -51.345
flat angles C4'-P-C4' energy: -65.057
flat angles P-C4'-P energy: -44.676
tors. eta vs tors. theta energy: -96.561
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: 195
Temperature: 1.100000
Total energy: -968.475120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.475120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.475120 (E_RNA)
where:
Base-Base interactions energy: -657.882
where: short stacking energy: -292.532
Base-Backbone interact. energy: -1.067
local terms energy: -309.526606
where:
bonds (distance) C4'-P energy: -56.811
bonds (distance) P-C4' energy: -58.276
flat angles C4'-P-C4' energy: -62.834
flat angles P-C4'-P energy: -48.315
tors. eta vs tors. theta energy: -83.290
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: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -858.107339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.107339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.107339 (E_RNA)
where:
Base-Base interactions energy: -582.325
where: short stacking energy: -265.049
Base-Backbone interact. energy: -0.571
local terms energy: -275.211074
where:
bonds (distance) C4'-P energy: -47.506
bonds (distance) P-C4' energy: -58.388
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -69.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -819.598868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.598868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.598868 (E_RNA)
where:
Base-Base interactions energy: -556.495
where: short stacking energy: -243.515
Base-Backbone interact. energy: -1.752
local terms energy: -261.351822
where:
bonds (distance) C4'-P energy: -48.531
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -57.488
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -63.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -678.033961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.033961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.033961 (E_RNA)
where:
Base-Base interactions energy: -451.529
where: short stacking energy: -207.958
Base-Backbone interact. energy: -1.089
local terms energy: -225.415900
where:
bonds (distance) C4'-P energy: -55.550
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -63.228
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -42.302
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: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -607.005449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.005449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.005449 (E_RNA)
where:
Base-Base interactions energy: -393.070
where: short stacking energy: -173.060
Base-Backbone interact. energy: -1.235
local terms energy: -212.700144
where:
bonds (distance) C4'-P energy: -60.849
bonds (distance) P-C4' energy: -53.038
flat angles C4'-P-C4' energy: -42.706
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -36.159
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: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -278.434154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.434154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.434154 (E_RNA)
where:
Base-Base interactions energy: -113.265
where: short stacking energy: -91.107
Base-Backbone interact. energy: 1.194
local terms energy: -166.363167
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -53.748
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: 0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1104.047012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.047012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.047012 (E_RNA)
where:
Base-Base interactions energy: -767.315
where: short stacking energy: -340.015
Base-Backbone interact. energy: -0.066
local terms energy: -336.665853
where:
bonds (distance) C4'-P energy: -58.100
bonds (distance) P-C4' energy: -59.665
flat angles C4'-P-C4' energy: -71.206
flat angles P-C4'-P energy: -48.355
tors. eta vs tors. theta energy: -99.339
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: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1061.928594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.928594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.928594 (E_RNA)
where:
Base-Base interactions energy: -760.281
where: short stacking energy: -285.008
Base-Backbone interact. energy: -1.370
local terms energy: -300.277245
where:
bonds (distance) C4'-P energy: -61.161
bonds (distance) P-C4' energy: -55.395
flat angles C4'-P-C4' energy: -65.539
flat angles P-C4'-P energy: -44.079
tors. eta vs tors. theta energy: -74.103
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: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1036.991808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.991808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.991808 (E_RNA)
where:
Base-Base interactions energy: -721.741
where: short stacking energy: -325.954
Base-Backbone interact. energy: -0.541
local terms energy: -314.709726
where:
bonds (distance) C4'-P energy: -59.462
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -67.403
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -98.070
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: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1014.668331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.668331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.668331 (E_RNA)
where:
Base-Base interactions energy: -702.472
where: short stacking energy: -312.055
Base-Backbone interact. energy: 0.176
local terms energy: -312.372679
where:
bonds (distance) C4'-P energy: -68.737
bonds (distance) P-C4' energy: -55.377
flat angles C4'-P-C4' energy: -65.916
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -86.796
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: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -954.263433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.263433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.263433 (E_RNA)
where:
Base-Base interactions energy: -669.980
where: short stacking energy: -279.683
Base-Backbone interact. energy: -0.258
local terms energy: -284.025484
where:
bonds (distance) C4'-P energy: -53.204
bonds (distance) P-C4' energy: -50.132
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -74.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -878.805156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.805156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.805156 (E_RNA)
where:
Base-Base interactions energy: -592.186
where: short stacking energy: -263.017
Base-Backbone interact. energy: -0.559
local terms energy: -286.059981
where:
bonds (distance) C4'-P energy: -57.295
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -61.890
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -69.051
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: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -816.482710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.482710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.482710 (E_RNA)
where:
Base-Base interactions energy: -570.833
where: short stacking energy: -250.952
Base-Backbone interact. energy: -2.415
local terms energy: -243.235001
where:
bonds (distance) C4'-P energy: -41.758
bonds (distance) P-C4' energy: -46.193
flat angles C4'-P-C4' energy: -56.439
flat angles P-C4'-P energy: -41.663
tors. eta vs tors. theta energy: -57.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -670.174134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.174134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.174134 (E_RNA)
where:
Base-Base interactions energy: -422.254
where: short stacking energy: -189.436
Base-Backbone interact. energy: -0.907
local terms energy: -247.012515
where:
bonds (distance) C4'-P energy: -57.315
bonds (distance) P-C4' energy: -61.397
flat angles C4'-P-C4' energy: -44.416
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -45.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -667.212915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.212915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.212915 (E_RNA)
where:
Base-Base interactions energy: -440.217
where: short stacking energy: -195.912
Base-Backbone interact. energy: -0.922
local terms energy: -226.074149
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -60.084
flat angles C4'-P-C4' energy: -49.377
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: -41.227
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: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -275.720790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.720790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.720790 (E_RNA)
where:
Base-Base interactions energy: -105.604
where: short stacking energy: -72.518
Base-Backbone interact. energy: -3.193
local terms energy: -166.924559
where:
bonds (distance) C4'-P energy: -50.714
bonds (distance) P-C4' energy: -47.151
flat angles C4'-P-C4' energy: -50.968
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: 8.139
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: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1117.107421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.107421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.107421 (E_RNA)
where:
Base-Base interactions energy: -775.352
where: short stacking energy: -344.053
Base-Backbone interact. energy: -0.240
local terms energy: -341.514853
where:
bonds (distance) C4'-P energy: -54.888
bonds (distance) P-C4' energy: -65.285
flat angles C4'-P-C4' energy: -68.051
flat angles P-C4'-P energy: -53.269
tors. eta vs tors. theta energy: -100.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1034.608457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.608457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.608457 (E_RNA)
where:
Base-Base interactions energy: -705.902
where: short stacking energy: -318.971
Base-Backbone interact. energy: -1.924
local terms energy: -326.782883
where:
bonds (distance) C4'-P energy: -61.214
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -66.534
flat angles P-C4'-P energy: -42.388
tors. eta vs tors. theta energy: -92.776
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1022.667630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.667630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.667630 (E_RNA)
where:
Base-Base interactions energy: -730.584
where: short stacking energy: -285.200
Base-Backbone interact. energy: 2.128
local terms energy: -294.211719
where:
bonds (distance) C4'-P energy: -57.092
bonds (distance) P-C4' energy: -63.029
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -42.597
tors. eta vs tors. theta energy: -69.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1012.098191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.098191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.098191 (E_RNA)
where:
Base-Base interactions energy: -703.306
where: short stacking energy: -307.422
Base-Backbone interact. energy: -1.271
local terms energy: -307.521409
where:
bonds (distance) C4'-P energy: -55.833
bonds (distance) P-C4' energy: -67.661
flat angles C4'-P-C4' energy: -69.269
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -81.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -966.044989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.044989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.044989 (E_RNA)
where:
Base-Base interactions energy: -671.556
where: short stacking energy: -288.969
Base-Backbone interact. energy: -1.708
local terms energy: -292.781086
where:
bonds (distance) C4'-P energy: -44.282
bonds (distance) P-C4' energy: -56.326
flat angles C4'-P-C4' energy: -71.067
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -84.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -856.366048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.366048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.366048 (E_RNA)
where:
Base-Base interactions energy: -580.681
where: short stacking energy: -256.778
Base-Backbone interact. energy: -0.972
local terms energy: -274.712657
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -58.445
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: -59.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -883.234866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.234866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.234866 (E_RNA)
where:
Base-Base interactions energy: -604.133
where: short stacking energy: -268.368
Base-Backbone interact. energy: -0.509
local terms energy: -278.592118
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -60.572
flat angles C4'-P-C4' energy: -58.307
flat angles P-C4'-P energy: -39.266
tors. eta vs tors. theta energy: -71.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -685.124371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.124371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.124371 (E_RNA)
where:
Base-Base interactions energy: -460.433
where: short stacking energy: -213.072
Base-Backbone interact. energy: -2.379
local terms energy: -222.312381
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -46.769
flat angles C4'-P-C4' energy: -41.299
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -46.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -629.247725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.247725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.247725 (E_RNA)
where:
Base-Base interactions energy: -398.743
where: short stacking energy: -174.263
Base-Backbone interact. energy: -1.364
local terms energy: -229.141333
where:
bonds (distance) C4'-P energy: -45.964
bonds (distance) P-C4' energy: -49.897
flat angles C4'-P-C4' energy: -64.079
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -38.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -335.740829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.740829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.740829 (E_RNA)
where:
Base-Base interactions energy: -173.290
where: short stacking energy: -106.961
Base-Backbone interact. energy: -3.138
local terms energy: -159.313194
where:
bonds (distance) C4'-P energy: -46.191
bonds (distance) P-C4' energy: -41.221
flat angles C4'-P-C4' energy: -48.885
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: 5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1112.658873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.658873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.658873 (E_RNA)
where:
Base-Base interactions energy: -783.515
where: short stacking energy: -333.324
Base-Backbone interact. energy: 0.977
local terms energy: -330.121476
where:
bonds (distance) C4'-P energy: -61.672
bonds (distance) P-C4' energy: -58.633
flat angles C4'-P-C4' energy: -66.769
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -99.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1053.847106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.847106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.847106 (E_RNA)
where:
Base-Base interactions energy: -707.406
where: short stacking energy: -320.675
Base-Backbone interact. energy: -1.268
local terms energy: -345.173974
where:
bonds (distance) C4'-P energy: -57.722
bonds (distance) P-C4' energy: -61.357
flat angles C4'-P-C4' energy: -73.097
flat angles P-C4'-P energy: -50.975
tors. eta vs tors. theta energy: -102.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1020.108526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.108526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.108526 (E_RNA)
where:
Base-Base interactions energy: -702.007
where: short stacking energy: -308.605
Base-Backbone interact. energy: -1.940
local terms energy: -316.161392
where:
bonds (distance) C4'-P energy: -57.275
bonds (distance) P-C4' energy: -61.336
flat angles C4'-P-C4' energy: -66.220
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -88.539
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: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1009.262318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.262318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.262318 (E_RNA)
where:
Base-Base interactions energy: -725.774
where: short stacking energy: -301.049
Base-Backbone interact. energy: -1.783
local terms energy: -281.705236
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -60.035
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: -75.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -950.083832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.083832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.083832 (E_RNA)
where:
Base-Base interactions energy: -651.787
where: short stacking energy: -284.112
Base-Backbone interact. energy: 1.229
local terms energy: -299.525810
where:
bonds (distance) C4'-P energy: -50.178
bonds (distance) P-C4' energy: -63.922
flat angles C4'-P-C4' energy: -64.910
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -81.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -861.047012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.047012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.047012 (E_RNA)
where:
Base-Base interactions energy: -578.976
where: short stacking energy: -253.807
Base-Backbone interact. energy: -1.303
local terms energy: -280.767590
where:
bonds (distance) C4'-P energy: -51.725
bonds (distance) P-C4' energy: -63.368
flat angles C4'-P-C4' energy: -48.087
flat angles P-C4'-P energy: -48.100
tors. eta vs tors. theta energy: -69.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -828.995497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.995497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.995497 (E_RNA)
where:
Base-Base interactions energy: -574.716
where: short stacking energy: -237.921
Base-Backbone interact. energy: 0.567
local terms energy: -254.846322
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -60.831
flat angles C4'-P-C4' energy: -56.695
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -55.176
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: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -686.143243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.143243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.143243 (E_RNA)
where:
Base-Base interactions energy: -438.100
where: short stacking energy: -205.604
Base-Backbone interact. energy: -1.151
local terms energy: -246.891764
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -53.946
flat angles C4'-P-C4' energy: -54.169
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -42.570
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: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -564.419368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.419368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.419368 (E_RNA)
where:
Base-Base interactions energy: -346.376
where: short stacking energy: -148.530
Base-Backbone interact. energy: -0.180
local terms energy: -217.863036
where:
bonds (distance) C4'-P energy: -48.233
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -43.979
flat angles P-C4'-P energy: -46.517
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -321.845958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.845958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.845958 (E_RNA)
where:
Base-Base interactions energy: -161.895
where: short stacking energy: -110.650
Base-Backbone interact. energy: 0.584
local terms energy: -160.534978
where:
bonds (distance) C4'-P energy: -39.571
bonds (distance) P-C4' energy: -46.513
flat angles C4'-P-C4' energy: -41.662
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1128.883606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.883606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.883606 (E_RNA)
where:
Base-Base interactions energy: -780.182
where: short stacking energy: -337.590
Base-Backbone interact. energy: -0.971
local terms energy: -347.731133
where:
bonds (distance) C4'-P energy: -56.620
bonds (distance) P-C4' energy: -62.059
flat angles C4'-P-C4' energy: -77.170
flat angles P-C4'-P energy: -47.756
tors. eta vs tors. theta energy: -104.127
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: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1046.189154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.189154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.189154 (E_RNA)
where:
Base-Base interactions energy: -701.715
where: short stacking energy: -327.381
Base-Backbone interact. energy: -0.787
local terms energy: -343.687105
where:
bonds (distance) C4'-P energy: -60.137
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -72.396
flat angles P-C4'-P energy: -45.196
tors. eta vs tors. theta energy: -102.086
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: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1014.172522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.172522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.172522 (E_RNA)
where:
Base-Base interactions energy: -706.780
where: short stacking energy: -310.926
Base-Backbone interact. energy: 0.006
local terms energy: -307.397759
where:
bonds (distance) C4'-P energy: -60.488
bonds (distance) P-C4' energy: -58.550
flat angles C4'-P-C4' energy: -58.121
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -86.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1007.517704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.517704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.517704 (E_RNA)
where:
Base-Base interactions energy: -726.442
where: short stacking energy: -287.341
Base-Backbone interact. energy: -2.031
local terms energy: -279.044004
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -58.495
flat angles C4'-P-C4' energy: -61.042
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -70.494
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: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -945.074626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.074626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.074626 (E_RNA)
where:
Base-Base interactions energy: -666.144
where: short stacking energy: -263.522
Base-Backbone interact. energy: -2.263
local terms energy: -276.668066
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -58.764
flat angles C4'-P-C4' energy: -65.298
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -76.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -849.333286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.333286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.333286 (E_RNA)
where:
Base-Base interactions energy: -592.198
where: short stacking energy: -272.992
Base-Backbone interact. energy: 1.563
local terms energy: -258.698780
where:
bonds (distance) C4'-P energy: -47.884
bonds (distance) P-C4' energy: -46.816
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -73.662
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: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -837.199479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.199479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.199479 (E_RNA)
where:
Base-Base interactions energy: -574.326
where: short stacking energy: -249.439
Base-Backbone interact. energy: -1.965
local terms energy: -260.908436
where:
bonds (distance) C4'-P energy: -44.307
bonds (distance) P-C4' energy: -58.272
flat angles C4'-P-C4' energy: -64.079
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -63.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -651.954310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.954310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.954310 (E_RNA)
where:
Base-Base interactions energy: -440.134
where: short stacking energy: -190.432
Base-Backbone interact. energy: 3.814
local terms energy: -215.634151
where:
bonds (distance) C4'-P energy: -48.573
bonds (distance) P-C4' energy: -50.224
flat angles C4'-P-C4' energy: -51.548
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -29.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -683.712076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.712076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.712076 (E_RNA)
where:
Base-Base interactions energy: -448.893
where: short stacking energy: -200.326
Base-Backbone interact. energy: -0.901
local terms energy: -233.918041
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -59.348
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -38.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -331.710275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.710275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.710275 (E_RNA)
where:
Base-Base interactions energy: -177.593
where: short stacking energy: -79.943
Base-Backbone interact. energy: -1.838
local terms energy: -152.279751
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -53.434
flat angles C4'-P-C4' energy: -45.102
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: 6.184
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: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1096.450640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.450640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.450640 (E_RNA)
where:
Base-Base interactions energy: -765.137
where: short stacking energy: -334.263
Base-Backbone interact. energy: 0.516
local terms energy: -331.829902
where:
bonds (distance) C4'-P energy: -66.146
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -61.121
flat angles P-C4'-P energy: -39.125
tors. eta vs tors. theta energy: -98.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1060.153669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.153669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.153669 (E_RNA)
where:
Base-Base interactions energy: -740.348
where: short stacking energy: -324.339
Base-Backbone interact. energy: -1.349
local terms energy: -318.456404
where:
bonds (distance) C4'-P energy: -56.988
bonds (distance) P-C4' energy: -58.507
flat angles C4'-P-C4' energy: -67.598
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -89.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -991.297153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.297153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.297153 (E_RNA)
where:
Base-Base interactions energy: -695.418
where: short stacking energy: -304.441
Base-Backbone interact. energy: 2.966
local terms energy: -298.844898
where:
bonds (distance) C4'-P energy: -54.002
bonds (distance) P-C4' energy: -59.388
flat angles C4'-P-C4' energy: -61.949
flat angles P-C4'-P energy: -43.163
tors. eta vs tors. theta energy: -80.343
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: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -998.551058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.551058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.551058 (E_RNA)
where:
Base-Base interactions energy: -712.892
where: short stacking energy: -292.190
Base-Backbone interact. energy: -1.702
local terms energy: -283.957454
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -57.125
flat angles P-C4'-P energy: -46.469
tors. eta vs tors. theta energy: -77.032
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: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -950.336051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.336051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.336051 (E_RNA)
where:
Base-Base interactions energy: -652.943
where: short stacking energy: -291.304
Base-Backbone interact. energy: -0.618
local terms energy: -296.774718
where:
bonds (distance) C4'-P energy: -62.634
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -64.444
flat angles P-C4'-P energy: -44.144
tors. eta vs tors. theta energy: -70.737
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: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -864.061438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.061438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.061438 (E_RNA)
where:
Base-Base interactions energy: -583.579
where: short stacking energy: -263.469
Base-Backbone interact. energy: -1.027
local terms energy: -279.455489
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -55.157
flat angles C4'-P-C4' energy: -65.892
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -70.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -864.952808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.952808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.952808 (E_RNA)
where:
Base-Base interactions energy: -594.795
where: short stacking energy: -258.390
Base-Backbone interact. energy: -1.496
local terms energy: -268.662209
where:
bonds (distance) C4'-P energy: -44.732
bonds (distance) P-C4' energy: -45.485
flat angles C4'-P-C4' energy: -62.245
flat angles P-C4'-P energy: -42.315
tors. eta vs tors. theta energy: -73.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -665.269594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.269594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.269594 (E_RNA)
where:
Base-Base interactions energy: -423.654
where: short stacking energy: -201.162
Base-Backbone interact. energy: 1.175
local terms energy: -242.790958
where:
bonds (distance) C4'-P energy: -43.446
bonds (distance) P-C4' energy: -56.044
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -45.929
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -691.365664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.365664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.365664 (E_RNA)
where:
Base-Base interactions energy: -465.192
where: short stacking energy: -197.551
Base-Backbone interact. energy: -2.931
local terms energy: -223.243010
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -44.935
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -31.979
tors. eta vs tors. theta energy: -31.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -344.833464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.833464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.833464 (E_RNA)
where:
Base-Base interactions energy: -182.468
where: short stacking energy: -127.409
Base-Backbone interact. energy: -1.076
local terms energy: -161.289185
where:
bonds (distance) C4'-P energy: -32.766
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -48.667
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1115.065301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.065301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.065301 (E_RNA)
where:
Base-Base interactions energy: -772.859
where: short stacking energy: -346.677
Base-Backbone interact. energy: -0.139
local terms energy: -342.066744
where:
bonds (distance) C4'-P energy: -65.748
bonds (distance) P-C4' energy: -65.223
flat angles C4'-P-C4' energy: -69.251
flat angles P-C4'-P energy: -46.409
tors. eta vs tors. theta energy: -95.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1040.753448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.753448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.753448 (E_RNA)
where:
Base-Base interactions energy: -721.921
where: short stacking energy: -331.065
Base-Backbone interact. energy: 0.416
local terms energy: -319.248965
where:
bonds (distance) C4'-P energy: -60.810
bonds (distance) P-C4' energy: -57.479
flat angles C4'-P-C4' energy: -64.024
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: -92.026
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: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1045.765822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.765822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.765822 (E_RNA)
where:
Base-Base interactions energy: -733.159
where: short stacking energy: -332.837
Base-Backbone interact. energy: -1.098
local terms energy: -311.509169
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -49.548
tors. eta vs tors. theta energy: -91.837
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1032.431045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.431045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.431045 (E_RNA)
where:
Base-Base interactions energy: -730.075
where: short stacking energy: -297.784
Base-Backbone interact. energy: -2.469
local terms energy: -299.887226
where:
bonds (distance) C4'-P energy: -51.881
bonds (distance) P-C4' energy: -63.896
flat angles C4'-P-C4' energy: -63.603
flat angles P-C4'-P energy: -44.316
tors. eta vs tors. theta energy: -76.192
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: 201
Temperature: 1.100000
Total energy: -951.123938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.123938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.123938 (E_RNA)
where:
Base-Base interactions energy: -678.130
where: short stacking energy: -287.947
Base-Backbone interact. energy: -0.296
local terms energy: -272.697170
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -60.616
flat angles P-C4'-P energy: -33.428
tors. eta vs tors. theta energy: -81.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -852.842759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.842759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.842759 (E_RNA)
where:
Base-Base interactions energy: -586.016
where: short stacking energy: -268.233
Base-Backbone interact. energy: 0.446
local terms energy: -267.273239
where:
bonds (distance) C4'-P energy: -45.233
bonds (distance) P-C4' energy: -52.330
flat angles C4'-P-C4' energy: -58.076
flat angles P-C4'-P energy: -45.540
tors. eta vs tors. theta energy: -66.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -862.358625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.358625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.358625 (E_RNA)
where:
Base-Base interactions energy: -583.306
where: short stacking energy: -264.473
Base-Backbone interact. energy: 0.026
local terms energy: -279.079244
where:
bonds (distance) C4'-P energy: -50.470
bonds (distance) P-C4' energy: -59.872
flat angles C4'-P-C4' energy: -61.058
flat angles P-C4'-P energy: -31.667
tors. eta vs tors. theta energy: -76.012
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: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -690.829440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.829440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.829440 (E_RNA)
where:
Base-Base interactions energy: -450.252
where: short stacking energy: -200.747
Base-Backbone interact. energy: -0.530
local terms energy: -240.047512
where:
bonds (distance) C4'-P energy: -54.384
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -34.230
tors. eta vs tors. theta energy: -47.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -632.419185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.419185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.419185 (E_RNA)
where:
Base-Base interactions energy: -406.479
where: short stacking energy: -187.918
Base-Backbone interact. energy: -0.782
local terms energy: -225.157711
where:
bonds (distance) C4'-P energy: -54.765
bonds (distance) P-C4' energy: -44.221
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -33.496
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: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -315.677136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.677136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.677136 (E_RNA)
where:
Base-Base interactions energy: -159.576
where: short stacking energy: -107.878
Base-Backbone interact. energy: -1.996
local terms energy: -154.104336
where:
bonds (distance) C4'-P energy: -44.479
bonds (distance) P-C4' energy: -51.190
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1125.148913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.148913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.148913 (E_RNA)
where:
Base-Base interactions energy: -801.163
where: short stacking energy: -350.519
Base-Backbone interact. energy: -1.135
local terms energy: -322.850624
where:
bonds (distance) C4'-P energy: -51.870
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -66.061
flat angles P-C4'-P energy: -49.085
tors. eta vs tors. theta energy: -102.628
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: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1031.223224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.223224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.223224 (E_RNA)
where:
Base-Base interactions energy: -697.225
where: short stacking energy: -322.930
Base-Backbone interact. energy: -0.551
local terms energy: -333.446984
where:
bonds (distance) C4'-P energy: -58.756
bonds (distance) P-C4' energy: -70.109
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -47.231
tors. eta vs tors. theta energy: -91.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1044.723269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.723269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.723269 (E_RNA)
where:
Base-Base interactions energy: -720.700
where: short stacking energy: -305.025
Base-Backbone interact. energy: -1.660
local terms energy: -322.362973
where:
bonds (distance) C4'-P energy: -57.454
bonds (distance) P-C4' energy: -61.723
flat angles C4'-P-C4' energy: -69.878
flat angles P-C4'-P energy: -47.972
tors. eta vs tors. theta energy: -85.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1002.254867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.254867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.254867 (E_RNA)
where:
Base-Base interactions energy: -675.370
where: short stacking energy: -304.464
Base-Backbone interact. energy: -2.155
local terms energy: -324.730099
where:
bonds (distance) C4'-P energy: -63.654
bonds (distance) P-C4' energy: -62.682
flat angles C4'-P-C4' energy: -62.237
flat angles P-C4'-P energy: -44.596
tors. eta vs tors. theta energy: -91.561
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: 202
Temperature: 1.100000
Total energy: -957.062268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.062268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.062268 (E_RNA)
where:
Base-Base interactions energy: -665.079
where: short stacking energy: -267.315
Base-Backbone interact. energy: -0.092
local terms energy: -291.891230
where:
bonds (distance) C4'-P energy: -57.672
bonds (distance) P-C4' energy: -57.177
flat angles C4'-P-C4' energy: -63.947
flat angles P-C4'-P energy: -36.156
tors. eta vs tors. theta energy: -76.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -855.634533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.634533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.634533 (E_RNA)
where:
Base-Base interactions energy: -590.082
where: short stacking energy: -273.276
Base-Backbone interact. energy: -0.504
local terms energy: -265.048315
where:
bonds (distance) C4'-P energy: -42.313
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -63.923
flat angles P-C4'-P energy: -42.702
tors. eta vs tors. theta energy: -64.250
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: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -842.314727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.314727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.314727 (E_RNA)
where:
Base-Base interactions energy: -572.324
where: short stacking energy: -259.628
Base-Backbone interact. energy: -1.112
local terms energy: -268.878872
where:
bonds (distance) C4'-P energy: -45.069
bonds (distance) P-C4' energy: -61.260
flat angles C4'-P-C4' energy: -57.721
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -69.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -673.403994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.403994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.403994 (E_RNA)
where:
Base-Base interactions energy: -443.722
where: short stacking energy: -209.384
Base-Backbone interact. energy: 0.067
local terms energy: -229.748783
where:
bonds (distance) C4'-P energy: -49.304
bonds (distance) P-C4' energy: -54.005
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -31.449
tors. eta vs tors. theta energy: -43.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -631.454970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.454970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.454970 (E_RNA)
where:
Base-Base interactions energy: -420.518
where: short stacking energy: -174.796
Base-Backbone interact. energy: -0.286
local terms energy: -210.651493
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -57.224
flat angles C4'-P-C4' energy: -45.633
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -31.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -253.407029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.407029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.407029 (E_RNA)
where:
Base-Base interactions energy: -97.194
where: short stacking energy: -62.440
Base-Backbone interact. energy: 1.251
local terms energy: -157.464266
where:
bonds (distance) C4'-P energy: -57.678
bonds (distance) P-C4' energy: -40.320
flat angles C4'-P-C4' energy: -41.496
flat angles P-C4'-P energy: -26.675
tors. eta vs tors. theta energy: 8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1098.357733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.357733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.357733 (E_RNA)
where:
Base-Base interactions energy: -749.326
where: short stacking energy: -326.368
Base-Backbone interact. energy: -1.232
local terms energy: -347.799277
where:
bonds (distance) C4'-P energy: -68.961
bonds (distance) P-C4' energy: -67.387
flat angles C4'-P-C4' energy: -70.080
flat angles P-C4'-P energy: -48.105
tors. eta vs tors. theta energy: -93.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1055.813166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.813166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.813166 (E_RNA)
where:
Base-Base interactions energy: -760.757
where: short stacking energy: -289.822
Base-Backbone interact. energy: -0.205
local terms energy: -294.850752
where:
bonds (distance) C4'-P energy: -58.754
bonds (distance) P-C4' energy: -59.063
flat angles C4'-P-C4' energy: -65.984
flat angles P-C4'-P energy: -34.978
tors. eta vs tors. theta energy: -76.072
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: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -988.174998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.174998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.174998 (E_RNA)
where:
Base-Base interactions energy: -683.064
where: short stacking energy: -304.649
Base-Backbone interact. energy: -0.308
local terms energy: -304.803604
where:
bonds (distance) C4'-P energy: -59.414
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -59.570
flat angles P-C4'-P energy: -38.252
tors. eta vs tors. theta energy: -87.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -983.819865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.819865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.819865 (E_RNA)
where:
Base-Base interactions energy: -658.806
where: short stacking energy: -303.246
Base-Backbone interact. energy: -0.803
local terms energy: -324.210954
where:
bonds (distance) C4'-P energy: -57.117
bonds (distance) P-C4' energy: -65.041
flat angles C4'-P-C4' energy: -67.915
flat angles P-C4'-P energy: -43.628
tors. eta vs tors. theta energy: -90.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -948.915827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.915827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.915827 (E_RNA)
where:
Base-Base interactions energy: -671.265
where: short stacking energy: -268.204
Base-Backbone interact. energy: -2.207
local terms energy: -275.443899
where:
bonds (distance) C4'-P energy: -54.501
bonds (distance) P-C4' energy: -48.469
flat angles C4'-P-C4' energy: -63.751
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -73.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -890.181773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.181773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.181773 (E_RNA)
where:
Base-Base interactions energy: -610.176
where: short stacking energy: -259.327
Base-Backbone interact. energy: -0.912
local terms energy: -279.094415
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -54.067
flat angles C4'-P-C4' energy: -60.083
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -69.458
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: 203
Temperature: 1.200000
Total energy: -837.431172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.431172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.431172 (E_RNA)
where:
Base-Base interactions energy: -576.934
where: short stacking energy: -256.862
Base-Backbone interact. energy: 0.416
local terms energy: -260.912790
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -54.483
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: -62.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -683.239874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.239874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.239874 (E_RNA)
where:
Base-Base interactions energy: -463.168
where: short stacking energy: -216.311
Base-Backbone interact. energy: 1.915
local terms energy: -221.987384
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -36.259
flat angles C4'-P-C4' energy: -49.300
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -46.408
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: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -647.350174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.350174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.350174 (E_RNA)
where:
Base-Base interactions energy: -410.379
where: short stacking energy: -162.434
Base-Backbone interact. energy: -0.214
local terms energy: -236.757057
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -59.933
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -37.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -268.863120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.863120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.863120 (E_RNA)
where:
Base-Base interactions energy: -102.335
where: short stacking energy: -79.010
Base-Backbone interact. energy: -1.376
local terms energy: -165.152136
where:
bonds (distance) C4'-P energy: -53.617
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -49.258
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: 7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1111.719409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.719409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.719409 (E_RNA)
where:
Base-Base interactions energy: -772.507
where: short stacking energy: -333.576
Base-Backbone interact. energy: 0.538
local terms energy: -339.750134
where:
bonds (distance) C4'-P energy: -59.496
bonds (distance) P-C4' energy: -63.253
flat angles C4'-P-C4' energy: -69.072
flat angles P-C4'-P energy: -52.938
tors. eta vs tors. theta energy: -94.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1083.016905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.016905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.016905 (E_RNA)
where:
Base-Base interactions energy: -767.933
where: short stacking energy: -311.722
Base-Backbone interact. energy: -2.177
local terms energy: -312.907469
where:
bonds (distance) C4'-P energy: -63.767
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -65.694
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -87.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1019.743954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.743954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.743954 (E_RNA)
where:
Base-Base interactions energy: -696.728
where: short stacking energy: -314.351
Base-Backbone interact. energy: -1.000
local terms energy: -322.015918
where:
bonds (distance) C4'-P energy: -66.587
bonds (distance) P-C4' energy: -58.866
flat angles C4'-P-C4' energy: -65.994
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: -90.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -991.341822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.341822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.341822 (E_RNA)
where:
Base-Base interactions energy: -666.323
where: short stacking energy: -296.791
Base-Backbone interact. energy: -1.014
local terms energy: -324.003983
where:
bonds (distance) C4'-P energy: -60.414
bonds (distance) P-C4' energy: -62.071
flat angles C4'-P-C4' energy: -65.402
flat angles P-C4'-P energy: -49.383
tors. eta vs tors. theta energy: -86.734
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: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -968.589520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.589520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.589520 (E_RNA)
where:
Base-Base interactions energy: -675.835
where: short stacking energy: -288.019
Base-Backbone interact. energy: -2.019
local terms energy: -290.735284
where:
bonds (distance) C4'-P energy: -60.486
bonds (distance) P-C4' energy: -50.523
flat angles C4'-P-C4' energy: -55.811
flat angles P-C4'-P energy: -44.983
tors. eta vs tors. theta energy: -78.932
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: 204
Temperature: 1.150000
Total energy: -910.836239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.836239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.836239 (E_RNA)
where:
Base-Base interactions energy: -630.272
where: short stacking energy: -265.135
Base-Backbone interact. energy: -1.726
local terms energy: -278.838440
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -51.397
flat angles C4'-P-C4' energy: -57.810
flat angles P-C4'-P energy: -52.657
tors. eta vs tors. theta energy: -71.222
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: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -833.163020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.163020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.163020 (E_RNA)
where:
Base-Base interactions energy: -572.819
where: short stacking energy: -242.752
Base-Backbone interact. energy: 0.002
local terms energy: -260.346062
where:
bonds (distance) C4'-P energy: -50.320
bonds (distance) P-C4' energy: -56.683
flat angles C4'-P-C4' energy: -63.095
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: -48.814
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: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -711.759304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.759304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.759304 (E_RNA)
where:
Base-Base interactions energy: -467.408
where: short stacking energy: -223.023
Base-Backbone interact. energy: -3.137
local terms energy: -241.215009
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -54.094
flat angles C4'-P-C4' energy: -54.358
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -51.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -658.552272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.552272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.552272 (E_RNA)
where:
Base-Base interactions energy: -427.812
where: short stacking energy: -189.097
Base-Backbone interact. energy: -2.024
local terms energy: -228.715903
where:
bonds (distance) C4'-P energy: -44.008
bonds (distance) P-C4' energy: -57.064
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -47.017
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: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -312.304538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.304538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.304538 (E_RNA)
where:
Base-Base interactions energy: -138.988
where: short stacking energy: -95.812
Base-Backbone interact. energy: 0.066
local terms energy: -173.382309
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -41.987
flat angles C4'-P-C4' energy: -40.841
flat angles P-C4'-P energy: -35.177
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1101.713175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.713175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.713175 (E_RNA)
where:
Base-Base interactions energy: -759.998
where: short stacking energy: -344.322
Base-Backbone interact. energy: -1.547
local terms energy: -340.167909
where:
bonds (distance) C4'-P energy: -63.824
bonds (distance) P-C4' energy: -60.796
flat angles C4'-P-C4' energy: -67.856
flat angles P-C4'-P energy: -49.765
tors. eta vs tors. theta energy: -97.928
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: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1044.029465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.029465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.029465 (E_RNA)
where:
Base-Base interactions energy: -727.462
where: short stacking energy: -328.902
Base-Backbone interact. energy: 0.919
local terms energy: -317.486188
where:
bonds (distance) C4'-P energy: -55.536
bonds (distance) P-C4' energy: -62.918
flat angles C4'-P-C4' energy: -66.470
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -95.957
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: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1030.537068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.537068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.537068 (E_RNA)
where:
Base-Base interactions energy: -730.806
where: short stacking energy: -286.373
Base-Backbone interact. energy: 0.478
local terms energy: -300.208714
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -60.071
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -42.124
tors. eta vs tors. theta energy: -65.808
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: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -993.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.327223 (E_RNA)
where:
Base-Base interactions energy: -691.351
where: short stacking energy: -299.835
Base-Backbone interact. energy: -0.476
local terms energy: -301.499789
where:
bonds (distance) C4'-P energy: -57.614
bonds (distance) P-C4' energy: -58.923
flat angles C4'-P-C4' energy: -65.360
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -82.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -924.542099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.542099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.542099 (E_RNA)
where:
Base-Base interactions energy: -634.430
where: short stacking energy: -280.377
Base-Backbone interact. energy: -0.325
local terms energy: -289.787131
where:
bonds (distance) C4'-P energy: -58.069
bonds (distance) P-C4' energy: -60.940
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -70.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -900.250758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.250758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.250758 (E_RNA)
where:
Base-Base interactions energy: -628.420
where: short stacking energy: -277.702
Base-Backbone interact. energy: 2.419
local terms energy: -274.249943
where:
bonds (distance) C4'-P energy: -52.140
bonds (distance) P-C4' energy: -44.832
flat angles C4'-P-C4' energy: -67.418
flat angles P-C4'-P energy: -33.197
tors. eta vs tors. theta energy: -76.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -804.287456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.287456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.287456 (E_RNA)
where:
Base-Base interactions energy: -553.582
where: short stacking energy: -241.429
Base-Backbone interact. energy: -0.055
local terms energy: -250.650431
where:
bonds (distance) C4'-P energy: -42.014
bonds (distance) P-C4' energy: -51.357
flat angles C4'-P-C4' energy: -60.466
flat angles P-C4'-P energy: -36.587
tors. eta vs tors. theta energy: -60.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -696.507004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.507004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.507004 (E_RNA)
where:
Base-Base interactions energy: -459.218
where: short stacking energy: -203.237
Base-Backbone interact. energy: -1.558
local terms energy: -235.730656
where:
bonds (distance) C4'-P energy: -45.567
bonds (distance) P-C4' energy: -42.694
flat angles C4'-P-C4' energy: -69.910
flat angles P-C4'-P energy: -29.702
tors. eta vs tors. theta energy: -47.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -688.674381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.674381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.674381 (E_RNA)
where:
Base-Base interactions energy: -435.554
where: short stacking energy: -185.691
Base-Backbone interact. energy: 0.026
local terms energy: -253.146329
where:
bonds (distance) C4'-P energy: -54.748
bonds (distance) P-C4' energy: -64.762
flat angles C4'-P-C4' energy: -48.595
flat angles P-C4'-P energy: -42.812
tors. eta vs tors. theta energy: -42.230
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: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -292.252341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.252341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.252341 (E_RNA)
where:
Base-Base interactions energy: -155.084
where: short stacking energy: -80.346
Base-Backbone interact. energy: -0.124
local terms energy: -137.044807
where:
bonds (distance) C4'-P energy: -41.260
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: 16.488
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: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1106.033798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.033798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.033798 (E_RNA)
where:
Base-Base interactions energy: -772.401
where: short stacking energy: -326.593
Base-Backbone interact. energy: -0.476
local terms energy: -333.157292
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -64.134
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -52.132
tors. eta vs tors. theta energy: -94.721
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: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1040.524068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.524068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.524068 (E_RNA)
where:
Base-Base interactions energy: -741.454
where: short stacking energy: -325.154
Base-Backbone interact. energy: 9.400
local terms energy: -308.469485
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -55.910
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -38.258
tors. eta vs tors. theta energy: -89.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1021.940070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.940070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.940070 (E_RNA)
where:
Base-Base interactions energy: -737.221
where: short stacking energy: -288.907
Base-Backbone interact. energy: -1.325
local terms energy: -283.394418
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -67.937
flat angles P-C4'-P energy: -44.018
tors. eta vs tors. theta energy: -70.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -983.490263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.490263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.490263 (E_RNA)
where:
Base-Base interactions energy: -673.918
where: short stacking energy: -300.990
Base-Backbone interact. energy: -2.027
local terms energy: -307.545401
where:
bonds (distance) C4'-P energy: -55.408
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -69.354
flat angles P-C4'-P energy: -38.949
tors. eta vs tors. theta energy: -91.496
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: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -891.550413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.550413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.550413 (E_RNA)
where:
Base-Base interactions energy: -610.408
where: short stacking energy: -241.688
Base-Backbone interact. energy: -1.592
local terms energy: -279.551294
where:
bonds (distance) C4'-P energy: -53.417
bonds (distance) P-C4' energy: -64.811
flat angles C4'-P-C4' energy: -57.047
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -66.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -948.613625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.613625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.613625 (E_RNA)
where:
Base-Base interactions energy: -677.680
where: short stacking energy: -282.708
Base-Backbone interact. energy: -0.579
local terms energy: -270.355099
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -59.498
flat angles C4'-P-C4' energy: -55.316
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -72.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -786.582011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.582011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.582011 (E_RNA)
where:
Base-Base interactions energy: -536.692
where: short stacking energy: -227.378
Base-Backbone interact. energy: -0.661
local terms energy: -249.229033
where:
bonds (distance) C4'-P energy: -54.798
bonds (distance) P-C4' energy: -48.808
flat angles C4'-P-C4' energy: -50.604
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: -62.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -718.875198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.875198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.875198 (E_RNA)
where:
Base-Base interactions energy: -469.776
where: short stacking energy: -209.974
Base-Backbone interact. energy: -1.207
local terms energy: -247.892046
where:
bonds (distance) C4'-P energy: -51.646
bonds (distance) P-C4' energy: -61.121
flat angles C4'-P-C4' energy: -62.042
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -670.926528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.926528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.926528 (E_RNA)
where:
Base-Base interactions energy: -438.715
where: short stacking energy: -202.384
Base-Backbone interact. energy: 0.471
local terms energy: -232.682581
where:
bonds (distance) C4'-P energy: -54.899
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -58.676
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -51.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -249.058993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.058993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.058993 (E_RNA)
where:
Base-Base interactions energy: -73.854
where: short stacking energy: -68.450
Base-Backbone interact. energy: -1.463
local terms energy: -173.742515
where:
bonds (distance) C4'-P energy: -52.868
bonds (distance) P-C4' energy: -52.207
flat angles C4'-P-C4' energy: -49.039
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: 8.774
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: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1131.586114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.586114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.586114 (E_RNA)
where:
Base-Base interactions energy: -796.145
where: short stacking energy: -358.145
Base-Backbone interact. energy: -0.237
local terms energy: -335.203920
where:
bonds (distance) C4'-P energy: -64.017
bonds (distance) P-C4' energy: -57.026
flat angles C4'-P-C4' energy: -65.398
flat angles P-C4'-P energy: -40.686
tors. eta vs tors. theta energy: -108.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1060.182933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.182933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.182933 (E_RNA)
where:
Base-Base interactions energy: -739.361
where: short stacking energy: -290.826
Base-Backbone interact. energy: -2.004
local terms energy: -318.818402
where:
bonds (distance) C4'-P energy: -59.015
bonds (distance) P-C4' energy: -62.483
flat angles C4'-P-C4' energy: -68.106
flat angles P-C4'-P energy: -50.465
tors. eta vs tors. theta energy: -78.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1023.412708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.412708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.412708 (E_RNA)
where:
Base-Base interactions energy: -694.718
where: short stacking energy: -315.108
Base-Backbone interact. energy: -1.745
local terms energy: -326.949649
where:
bonds (distance) C4'-P energy: -63.474
bonds (distance) P-C4' energy: -67.653
flat angles C4'-P-C4' energy: -63.351
flat angles P-C4'-P energy: -44.528
tors. eta vs tors. theta energy: -87.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -991.180293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.180293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.180293 (E_RNA)
where:
Base-Base interactions energy: -690.526
where: short stacking energy: -306.824
Base-Backbone interact. energy: 4.332
local terms energy: -304.986301
where:
bonds (distance) C4'-P energy: -54.962
bonds (distance) P-C4' energy: -61.137
flat angles C4'-P-C4' energy: -66.624
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -83.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -926.097107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.097107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.097107 (E_RNA)
where:
Base-Base interactions energy: -634.106
where: short stacking energy: -281.361
Base-Backbone interact. energy: -1.502
local terms energy: -290.488835
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -40.071
tors. eta vs tors. theta energy: -80.568
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: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -948.517836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.517836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.517836 (E_RNA)
where:
Base-Base interactions energy: -661.170
where: short stacking energy: -294.955
Base-Backbone interact. energy: -2.014
local terms energy: -285.333632
where:
bonds (distance) C4'-P energy: -40.042
bonds (distance) P-C4' energy: -64.607
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -34.732
tors. eta vs tors. theta energy: -88.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -845.278586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.278586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.278586 (E_RNA)
where:
Base-Base interactions energy: -578.124
where: short stacking energy: -258.919
Base-Backbone interact. energy: 0.728
local terms energy: -267.882374
where:
bonds (distance) C4'-P energy: -50.304
bonds (distance) P-C4' energy: -54.201
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -76.135
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: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -660.498697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.498697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.498697 (E_RNA)
where:
Base-Base interactions energy: -445.549
where: short stacking energy: -204.542
Base-Backbone interact. energy: -0.777
local terms energy: -214.172674
where:
bonds (distance) C4'-P energy: -57.955
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -53.764
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -668.551626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.551626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.551626 (E_RNA)
where:
Base-Base interactions energy: -443.822
where: short stacking energy: -195.862
Base-Backbone interact. energy: -1.463
local terms energy: -223.266978
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -51.192
flat angles C4'-P-C4' energy: -57.329
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -45.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -259.159634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.159634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.159634 (E_RNA)
where:
Base-Base interactions energy: -105.745
where: short stacking energy: -71.761
Base-Backbone interact. energy: -0.902
local terms energy: -152.513330
where:
bonds (distance) C4'-P energy: -53.032
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: 7.542
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: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1109.592521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.592521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.592521 (E_RNA)
where:
Base-Base interactions energy: -768.931
where: short stacking energy: -342.533
Base-Backbone interact. energy: -1.048
local terms energy: -339.614309
where:
bonds (distance) C4'-P energy: -67.874
bonds (distance) P-C4' energy: -66.045
flat angles C4'-P-C4' energy: -69.058
flat angles P-C4'-P energy: -38.862
tors. eta vs tors. theta energy: -97.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1083.614400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.614400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.614400 (E_RNA)
where:
Base-Base interactions energy: -767.878
where: short stacking energy: -308.256
Base-Backbone interact. energy: -3.375
local terms energy: -312.361409
where:
bonds (distance) C4'-P energy: -56.814
bonds (distance) P-C4' energy: -61.832
flat angles C4'-P-C4' energy: -67.451
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -82.982
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: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1008.331331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.331331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.331331 (E_RNA)
where:
Base-Base interactions energy: -701.996
where: short stacking energy: -321.685
Base-Backbone interact. energy: -0.921
local terms energy: -305.414918
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -59.104
flat angles C4'-P-C4' energy: -60.681
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -88.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1005.598545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.598545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.598545 (E_RNA)
where:
Base-Base interactions energy: -699.364
where: short stacking energy: -325.991
Base-Backbone interact. energy: -0.460
local terms energy: -305.774593
where:
bonds (distance) C4'-P energy: -50.577
bonds (distance) P-C4' energy: -60.776
flat angles C4'-P-C4' energy: -67.409
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -89.016
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: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -918.333550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.333550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.333550 (E_RNA)
where:
Base-Base interactions energy: -628.117
where: short stacking energy: -275.783
Base-Backbone interact. energy: -1.384
local terms energy: -288.831933
where:
bonds (distance) C4'-P energy: -57.125
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -66.885
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -75.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -916.019868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.019868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.019868 (E_RNA)
where:
Base-Base interactions energy: -648.730
where: short stacking energy: -265.866
Base-Backbone interact. energy: -1.021
local terms energy: -266.268859
where:
bonds (distance) C4'-P energy: -47.536
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -57.964
flat angles P-C4'-P energy: -40.728
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: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -853.558993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.558993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.558993 (E_RNA)
where:
Base-Base interactions energy: -590.500
where: short stacking energy: -247.355
Base-Backbone interact. energy: 0.906
local terms energy: -263.964479
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -54.809
flat angles C4'-P-C4' energy: -57.354
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -73.511
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: 208
Temperature: 1.250000
Total energy: -659.504339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.504339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.504339 (E_RNA)
where:
Base-Base interactions energy: -423.816
where: short stacking energy: -185.452
Base-Backbone interact. energy: -0.506
local terms energy: -235.182745
where:
bonds (distance) C4'-P energy: -63.477
bonds (distance) P-C4' energy: -54.318
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -41.219
tors. eta vs tors. theta energy: -29.853
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: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -604.373255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.373255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.373255 (E_RNA)
where:
Base-Base interactions energy: -398.515
where: short stacking energy: -173.182
Base-Backbone interact. energy: -0.889
local terms energy: -204.969833
where:
bonds (distance) C4'-P energy: -51.269
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -45.366
flat angles P-C4'-P energy: -34.809
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: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -270.043750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.043750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.043750 (E_RNA)
where:
Base-Base interactions energy: -98.796
where: short stacking energy: -76.132
Base-Backbone interact. energy: 1.345
local terms energy: -172.593082
where:
bonds (distance) C4'-P energy: -60.624
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -36.675
tors. eta vs tors. theta energy: 16.487
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: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1101.738963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.738963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.738963 (E_RNA)
where:
Base-Base interactions energy: -770.889
where: short stacking energy: -349.285
Base-Backbone interact. energy: -0.750
local terms energy: -330.100085
where:
bonds (distance) C4'-P energy: -53.681
bonds (distance) P-C4' energy: -66.366
flat angles C4'-P-C4' energy: -64.714
flat angles P-C4'-P energy: -41.225
tors. eta vs tors. theta energy: -104.113
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: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1022.356723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.356723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.356723 (E_RNA)
where:
Base-Base interactions energy: -721.576
where: short stacking energy: -320.744
Base-Backbone interact. energy: -0.791
local terms energy: -299.990196
where:
bonds (distance) C4'-P energy: -61.808
bonds (distance) P-C4' energy: -51.904
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -81.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1032.073431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.073431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.073431 (E_RNA)
where:
Base-Base interactions energy: -744.451
where: short stacking energy: -289.872
Base-Backbone interact. energy: 5.731
local terms energy: -293.353443
where:
bonds (distance) C4'-P energy: -53.658
bonds (distance) P-C4' energy: -61.642
flat angles C4'-P-C4' energy: -68.731
flat angles P-C4'-P energy: -39.323
tors. eta vs tors. theta energy: -70.000
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: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -971.580779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.580779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.580779 (E_RNA)
where:
Base-Base interactions energy: -668.661
where: short stacking energy: -314.216
Base-Backbone interact. energy: -0.890
local terms energy: -302.029645
where:
bonds (distance) C4'-P energy: -49.663
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -64.204
flat angles P-C4'-P energy: -40.739
tors. eta vs tors. theta energy: -91.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -929.479335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.479335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.479335 (E_RNA)
where:
Base-Base interactions energy: -621.315
where: short stacking energy: -271.037
Base-Backbone interact. energy: -0.951
local terms energy: -307.213813
where:
bonds (distance) C4'-P energy: -51.450
bonds (distance) P-C4' energy: -60.108
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -48.682
tors. eta vs tors. theta energy: -76.234
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: 209
Temperature: 1.150000
Total energy: -897.844435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.844435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.844435 (E_RNA)
where:
Base-Base interactions energy: -632.324
where: short stacking energy: -260.381
Base-Backbone interact. energy: -1.137
local terms energy: -264.383583
where:
bonds (distance) C4'-P energy: -55.018
bonds (distance) P-C4' energy: -56.037
flat angles C4'-P-C4' energy: -56.794
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -61.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -833.774211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.774211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.774211 (E_RNA)
where:
Base-Base interactions energy: -560.850
where: short stacking energy: -249.408
Base-Backbone interact. energy: 0.947
local terms energy: -273.871659
where:
bonds (distance) C4'-P energy: -54.265
bonds (distance) P-C4' energy: -56.759
flat angles C4'-P-C4' energy: -57.868
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -61.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -710.122325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.122325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.122325 (E_RNA)
where:
Base-Base interactions energy: -463.010
where: short stacking energy: -193.315
Base-Backbone interact. energy: 0.016
local terms energy: -247.128479
where:
bonds (distance) C4'-P energy: -45.681
bonds (distance) P-C4' energy: -51.040
flat angles C4'-P-C4' energy: -59.759
flat angles P-C4'-P energy: -39.178
tors. eta vs tors. theta energy: -51.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -574.849484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.849484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.849484 (E_RNA)
where:
Base-Base interactions energy: -386.121
where: short stacking energy: -174.190
Base-Backbone interact. energy: 5.922
local terms energy: -194.649724
where:
bonds (distance) C4'-P energy: -49.734
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -50.878
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -285.482407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.482407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.482407 (E_RNA)
where:
Base-Base interactions energy: -123.995
where: short stacking energy: -93.076
Base-Backbone interact. energy: -0.866
local terms energy: -160.621558
where:
bonds (distance) C4'-P energy: -51.011
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -53.338
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: 4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1123.253961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.253961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.253961 (E_RNA)
where:
Base-Base interactions energy: -786.426
where: short stacking energy: -352.554
Base-Backbone interact. energy: -1.065
local terms energy: -335.763450
where:
bonds (distance) C4'-P energy: -59.191
bonds (distance) P-C4' energy: -61.003
flat angles C4'-P-C4' energy: -74.465
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -99.721
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: 210
Temperature: 0.950000
Total energy: -1054.901263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.901263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.901263 (E_RNA)
where:
Base-Base interactions energy: -735.415
where: short stacking energy: -317.366
Base-Backbone interact. energy: -0.465
local terms energy: -319.021310
where:
bonds (distance) C4'-P energy: -62.380
bonds (distance) P-C4' energy: -59.048
flat angles C4'-P-C4' energy: -65.317
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -94.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1059.439566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.439566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.439566 (E_RNA)
where:
Base-Base interactions energy: -769.303
where: short stacking energy: -319.648
Base-Backbone interact. energy: -1.324
local terms energy: -288.813210
where:
bonds (distance) C4'-P energy: -49.341
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -62.953
flat angles P-C4'-P energy: -37.443
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -967.094296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.094296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.094296 (E_RNA)
where:
Base-Base interactions energy: -666.506
where: short stacking energy: -281.194
Base-Backbone interact. energy: -2.611
local terms energy: -297.976907
where:
bonds (distance) C4'-P energy: -57.033
bonds (distance) P-C4' energy: -52.684
flat angles C4'-P-C4' energy: -61.488
flat angles P-C4'-P energy: -45.378
tors. eta vs tors. theta energy: -81.394
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: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -939.151585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.151585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.151585 (E_RNA)
where:
Base-Base interactions energy: -659.212
where: short stacking energy: -288.013
Base-Backbone interact. energy: -0.080
local terms energy: -279.860491
where:
bonds (distance) C4'-P energy: -43.653
bonds (distance) P-C4' energy: -55.539
flat angles C4'-P-C4' energy: -62.848
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -81.708
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: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -852.314044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.314044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.314044 (E_RNA)
where:
Base-Base interactions energy: -589.431
where: short stacking energy: -250.553
Base-Backbone interact. energy: -0.332
local terms energy: -262.550596
where:
bonds (distance) C4'-P energy: -49.622
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -54.720
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -66.116
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: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -799.592885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.592885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.592885 (E_RNA)
where:
Base-Base interactions energy: -533.260
where: short stacking energy: -236.577
Base-Backbone interact. energy: 0.317
local terms energy: -266.650121
where:
bonds (distance) C4'-P energy: -50.106
bonds (distance) P-C4' energy: -57.558
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: -68.748
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: 210
Temperature: 1.250000
Total energy: -768.732886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.732886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.732886 (E_RNA)
where:
Base-Base interactions energy: -519.820
where: short stacking energy: -222.262
Base-Backbone interact. energy: -2.406
local terms energy: -246.506436
where:
bonds (distance) C4'-P energy: -45.772
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -50.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -564.993032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.993032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.993032 (E_RNA)
where:
Base-Base interactions energy: -327.105
where: short stacking energy: -152.872
Base-Backbone interact. energy: 0.554
local terms energy: -238.442565
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -58.949
flat angles C4'-P-C4' energy: -59.176
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -286.206154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.206154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.206154 (E_RNA)
where:
Base-Base interactions energy: -101.572
where: short stacking energy: -81.857
Base-Backbone interact. energy: -1.171
local terms energy: -183.463088
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -53.672
flat angles C4'-P-C4' energy: -50.310
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1109.920950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.920950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.920950 (E_RNA)
where:
Base-Base interactions energy: -771.424
where: short stacking energy: -339.518
Base-Backbone interact. energy: -2.098
local terms energy: -336.398863
where:
bonds (distance) C4'-P energy: -59.988
bonds (distance) P-C4' energy: -64.216
flat angles C4'-P-C4' energy: -64.822
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -94.433
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: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1058.540620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.540620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.540620 (E_RNA)
where:
Base-Base interactions energy: -757.696
where: short stacking energy: -322.948
Base-Backbone interact. energy: 0.904
local terms energy: -301.748449
where:
bonds (distance) C4'-P energy: -55.099
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -66.804
flat angles P-C4'-P energy: -47.158
tors. eta vs tors. theta energy: -81.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1015.035257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.035257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.035257 (E_RNA)
where:
Base-Base interactions energy: -683.606
where: short stacking energy: -296.495
Base-Backbone interact. energy: -0.376
local terms energy: -331.053208
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -53.225
flat angles C4'-P-C4' energy: -70.699
flat angles P-C4'-P energy: -50.439
tors. eta vs tors. theta energy: -93.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -987.802527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.802527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.802527 (E_RNA)
where:
Base-Base interactions energy: -679.457
where: short stacking energy: -290.337
Base-Backbone interact. energy: -0.572
local terms energy: -307.773731
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -61.508
flat angles C4'-P-C4' energy: -63.471
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -89.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -945.332968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.332968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.332968 (E_RNA)
where:
Base-Base interactions energy: -655.929
where: short stacking energy: -265.517
Base-Backbone interact. energy: -0.579
local terms energy: -288.825771
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -52.941
flat angles C4'-P-C4' energy: -64.317
flat angles P-C4'-P energy: -52.771
tors. eta vs tors. theta energy: -70.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -850.239563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.239563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.239563 (E_RNA)
where:
Base-Base interactions energy: -576.308
where: short stacking energy: -260.657
Base-Backbone interact. energy: -1.512
local terms energy: -272.419750
where:
bonds (distance) C4'-P energy: -54.888
bonds (distance) P-C4' energy: -53.929
flat angles C4'-P-C4' energy: -58.785
flat angles P-C4'-P energy: -33.711
tors. eta vs tors. theta energy: -71.107
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: 211
Temperature: 1.200000
Total energy: -825.821305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.821305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.821305 (E_RNA)
where:
Base-Base interactions energy: -565.681
where: short stacking energy: -244.622
Base-Backbone interact. energy: -0.364
local terms energy: -259.776422
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -50.706
flat angles P-C4'-P energy: -36.219
tors. eta vs tors. theta energy: -64.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -758.229146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.229146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.229146 (E_RNA)
where:
Base-Base interactions energy: -503.313
where: short stacking energy: -215.225
Base-Backbone interact. energy: -2.248
local terms energy: -252.668278
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -54.716
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -65.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -568.491034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.491034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.491034 (E_RNA)
where:
Base-Base interactions energy: -350.725
where: short stacking energy: -155.804
Base-Backbone interact. energy: 3.450
local terms energy: -221.215986
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -46.212
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -34.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -271.124021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.124021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.124021 (E_RNA)
where:
Base-Base interactions energy: -109.514
where: short stacking energy: -90.420
Base-Backbone interact. energy: 1.345
local terms energy: -162.955512
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -48.293
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1094.632003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.632003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.632003 (E_RNA)
where:
Base-Base interactions energy: -766.247
where: short stacking energy: -324.891
Base-Backbone interact. energy: -2.215
local terms energy: -326.169590
where:
bonds (distance) C4'-P energy: -59.456
bonds (distance) P-C4' energy: -64.295
flat angles C4'-P-C4' energy: -65.749
flat angles P-C4'-P energy: -41.907
tors. eta vs tors. theta energy: -94.763
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: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1058.684756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.684756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.684756 (E_RNA)
where:
Base-Base interactions energy: -748.068
where: short stacking energy: -299.891
Base-Backbone interact. energy: -0.212
local terms energy: -310.405181
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -59.204
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -47.850
tors. eta vs tors. theta energy: -77.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1007.300605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.300605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.300605 (E_RNA)
where:
Base-Base interactions energy: -687.330
where: short stacking energy: -317.581
Base-Backbone interact. energy: -0.550
local terms energy: -319.420207
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -59.865
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -51.655
tors. eta vs tors. theta energy: -91.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -986.668742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.668742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.668742 (E_RNA)
where:
Base-Base interactions energy: -673.012
where: short stacking energy: -295.352
Base-Backbone interact. energy: -1.572
local terms energy: -312.085132
where:
bonds (distance) C4'-P energy: -56.096
bonds (distance) P-C4' energy: -62.295
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -86.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -943.332152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.332152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.332152 (E_RNA)
where:
Base-Base interactions energy: -644.393
where: short stacking energy: -271.314
Base-Backbone interact. energy: -0.742
local terms energy: -298.197365
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -48.185
flat angles C4'-P-C4' energy: -67.396
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -82.035
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: 212
Temperature: 1.150000
Total energy: -855.103773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.103773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.103773 (E_RNA)
where:
Base-Base interactions energy: -588.163
where: short stacking energy: -257.945
Base-Backbone interact. energy: -0.923
local terms energy: -266.018119
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -51.824
flat angles C4'-P-C4' energy: -51.268
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -73.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -836.249019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.249019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.249019 (E_RNA)
where:
Base-Base interactions energy: -583.904
where: short stacking energy: -244.073
Base-Backbone interact. energy: 0.484
local terms energy: -252.829521
where:
bonds (distance) C4'-P energy: -58.734
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -56.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -693.219254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.219254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.219254 (E_RNA)
where:
Base-Base interactions energy: -450.920
where: short stacking energy: -205.902
Base-Backbone interact. energy: -1.386
local terms energy: -240.912944
where:
bonds (distance) C4'-P energy: -48.136
bonds (distance) P-C4' energy: -47.592
flat angles C4'-P-C4' energy: -64.550
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: -45.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -526.533789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.533789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.533789 (E_RNA)
where:
Base-Base interactions energy: -319.471
where: short stacking energy: -170.448
Base-Backbone interact. energy: 0.856
local terms energy: -207.919348
where:
bonds (distance) C4'-P energy: -42.392
bonds (distance) P-C4' energy: -54.834
flat angles C4'-P-C4' energy: -46.604
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -37.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -275.243429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.243429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.243429 (E_RNA)
where:
Base-Base interactions energy: -101.041
where: short stacking energy: -95.935
Base-Backbone interact. energy: -0.248
local terms energy: -173.955097
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -51.841
flat angles C4'-P-C4' energy: -38.632
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1112.962416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.962416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.962416 (E_RNA)
where:
Base-Base interactions energy: -766.638
where: short stacking energy: -336.116
Base-Backbone interact. energy: -0.530
local terms energy: -345.794782
where:
bonds (distance) C4'-P energy: -57.540
bonds (distance) P-C4' energy: -69.060
flat angles C4'-P-C4' energy: -72.709
flat angles P-C4'-P energy: -44.377
tors. eta vs tors. theta energy: -102.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1080.457401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.457401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.457401 (E_RNA)
where:
Base-Base interactions energy: -763.055
where: short stacking energy: -311.740
Base-Backbone interact. energy: 1.771
local terms energy: -319.173205
where:
bonds (distance) C4'-P energy: -57.907
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -70.427
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -86.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1036.795086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.795086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.795086 (E_RNA)
where:
Base-Base interactions energy: -698.083
where: short stacking energy: -324.110
Base-Backbone interact. energy: -0.298
local terms energy: -338.414795
where:
bonds (distance) C4'-P energy: -55.935
bonds (distance) P-C4' energy: -64.070
flat angles C4'-P-C4' energy: -68.710
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -98.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -983.678452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.678452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.678452 (E_RNA)
where:
Base-Base interactions energy: -679.677
where: short stacking energy: -283.013
Base-Backbone interact. energy: -0.681
local terms energy: -303.319914
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -47.082
flat angles C4'-P-C4' energy: -67.829
flat angles P-C4'-P energy: -46.868
tors. eta vs tors. theta energy: -80.226
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: 213
Temperature: 1.100000
Total energy: -965.619702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.619702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.619702 (E_RNA)
where:
Base-Base interactions energy: -664.285
where: short stacking energy: -285.657
Base-Backbone interact. energy: -1.102
local terms energy: -300.232115
where:
bonds (distance) C4'-P energy: -51.943
bonds (distance) P-C4' energy: -52.626
flat angles C4'-P-C4' energy: -67.231
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -88.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -840.955427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.955427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.955427 (E_RNA)
where:
Base-Base interactions energy: -579.476
where: short stacking energy: -243.519
Base-Backbone interact. energy: -2.450
local terms energy: -259.028802
where:
bonds (distance) C4'-P energy: -53.709
bonds (distance) P-C4' energy: -55.571
flat angles C4'-P-C4' energy: -53.297
flat angles P-C4'-P energy: -35.953
tors. eta vs tors. theta energy: -60.499
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: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -856.118146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.118146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.118146 (E_RNA)
where:
Base-Base interactions energy: -600.424
where: short stacking energy: -282.803
Base-Backbone interact. energy: -1.777
local terms energy: -253.916993
where:
bonds (distance) C4'-P energy: -50.529
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -54.897
flat angles P-C4'-P energy: -35.295
tors. eta vs tors. theta energy: -75.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -710.477212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.477212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.477212 (E_RNA)
where:
Base-Base interactions energy: -451.737
where: short stacking energy: -201.067
Base-Backbone interact. energy: -1.215
local terms energy: -257.524626
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -55.326
flat angles C4'-P-C4' energy: -65.710
flat angles P-C4'-P energy: -38.855
tors. eta vs tors. theta energy: -46.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -523.375046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.375046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.375046 (E_RNA)
where:
Base-Base interactions energy: -318.317
where: short stacking energy: -158.053
Base-Backbone interact. energy: -0.726
local terms energy: -204.332101
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -262.487545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.487545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.487545 (E_RNA)
where:
Base-Base interactions energy: -109.849
where: short stacking energy: -77.123
Base-Backbone interact. energy: 3.326
local terms energy: -155.965001
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -50.443
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: 5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1112.619539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.619539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.619539 (E_RNA)
where:
Base-Base interactions energy: -778.049
where: short stacking energy: -330.998
Base-Backbone interact. energy: -0.302
local terms energy: -334.268689
where:
bonds (distance) C4'-P energy: -58.359
bonds (distance) P-C4' energy: -61.993
flat angles C4'-P-C4' energy: -71.399
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -96.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1062.492229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.492229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.492229 (E_RNA)
where:
Base-Base interactions energy: -752.616
where: short stacking energy: -307.993
Base-Backbone interact. energy: 0.486
local terms energy: -310.361450
where:
bonds (distance) C4'-P energy: -52.997
bonds (distance) P-C4' energy: -59.852
flat angles C4'-P-C4' energy: -70.403
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -81.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1014.236371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.236371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.236371 (E_RNA)
where:
Base-Base interactions energy: -696.541
where: short stacking energy: -329.431
Base-Backbone interact. energy: -1.460
local terms energy: -316.235294
where:
bonds (distance) C4'-P energy: -42.892
bonds (distance) P-C4' energy: -61.744
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: -94.482
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: 214
Temperature: 1.050000
Total energy: -1021.156990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.156990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.156990 (E_RNA)
where:
Base-Base interactions energy: -724.366
where: short stacking energy: -328.075
Base-Backbone interact. energy: -0.352
local terms energy: -296.438993
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -51.067
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -84.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -943.845196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.845196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.845196 (E_RNA)
where:
Base-Base interactions energy: -639.718
where: short stacking energy: -292.403
Base-Backbone interact. energy: -0.412
local terms energy: -303.715312
where:
bonds (distance) C4'-P energy: -61.271
bonds (distance) P-C4' energy: -60.071
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -85.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -829.810012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.810012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.810012 (E_RNA)
where:
Base-Base interactions energy: -573.223
where: short stacking energy: -238.373
Base-Backbone interact. energy: -0.464
local terms energy: -256.123234
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -53.316
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: -61.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -830.136255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.136255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.136255 (E_RNA)
where:
Base-Base interactions energy: -597.024
where: short stacking energy: -257.413
Base-Backbone interact. energy: -0.032
local terms energy: -233.080472
where:
bonds (distance) C4'-P energy: -45.786
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -42.621
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -64.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -712.035323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.035323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.035323 (E_RNA)
where:
Base-Base interactions energy: -471.950
where: short stacking energy: -218.892
Base-Backbone interact. energy: -0.406
local terms energy: -239.679836
where:
bonds (distance) C4'-P energy: -54.359
bonds (distance) P-C4' energy: -49.870
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -43.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -529.418473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.418473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.418473 (E_RNA)
where:
Base-Base interactions energy: -306.274
where: short stacking energy: -154.291
Base-Backbone interact. energy: -1.492
local terms energy: -221.652182
where:
bonds (distance) C4'-P energy: -60.444
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -51.754
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -28.534
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: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -304.355504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.355504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.355504 (E_RNA)
where:
Base-Base interactions energy: -119.109
where: short stacking energy: -108.136
Base-Backbone interact. energy: -0.412
local terms energy: -184.834401
where:
bonds (distance) C4'-P energy: -52.900
bonds (distance) P-C4' energy: -49.896
flat angles C4'-P-C4' energy: -49.648
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1103.739549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.739549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.739549 (E_RNA)
where:
Base-Base interactions energy: -759.656
where: short stacking energy: -335.285
Base-Backbone interact. energy: -0.507
local terms energy: -343.576905
where:
bonds (distance) C4'-P energy: -60.972
bonds (distance) P-C4' energy: -70.177
flat angles C4'-P-C4' energy: -66.644
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -104.030
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: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1053.833380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.833380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.833380 (E_RNA)
where:
Base-Base interactions energy: -738.045
where: short stacking energy: -295.203
Base-Backbone interact. energy: -0.248
local terms energy: -315.540504
where:
bonds (distance) C4'-P energy: -58.165
bonds (distance) P-C4' energy: -65.156
flat angles C4'-P-C4' energy: -68.117
flat angles P-C4'-P energy: -46.963
tors. eta vs tors. theta energy: -77.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1022.293773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.293773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.293773 (E_RNA)
where:
Base-Base interactions energy: -690.713
where: short stacking energy: -303.843
Base-Backbone interact. energy: -1.034
local terms energy: -330.546876
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -56.912
flat angles C4'-P-C4' energy: -71.144
flat angles P-C4'-P energy: -49.043
tors. eta vs tors. theta energy: -101.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1004.105759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.105759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.105759 (E_RNA)
where:
Base-Base interactions energy: -696.241
where: short stacking energy: -299.999
Base-Backbone interact. energy: -0.401
local terms energy: -307.463349
where:
bonds (distance) C4'-P energy: -56.581
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -60.805
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -86.706
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: 215
Temperature: 1.100000
Total energy: -926.699930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.699930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.699930 (E_RNA)
where:
Base-Base interactions energy: -642.522
where: short stacking energy: -283.136
Base-Backbone interact. energy: -0.220
local terms energy: -283.957657
where:
bonds (distance) C4'-P energy: -47.490
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -57.605
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -82.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -873.548501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.548501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.548501 (E_RNA)
where:
Base-Base interactions energy: -605.547
where: short stacking energy: -246.455
Base-Backbone interact. energy: -2.210
local terms energy: -265.791287
where:
bonds (distance) C4'-P energy: -57.044
bonds (distance) P-C4' energy: -55.591
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -34.085
tors. eta vs tors. theta energy: -65.537
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: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -793.516887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.516887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.516887 (E_RNA)
where:
Base-Base interactions energy: -533.483
where: short stacking energy: -238.943
Base-Backbone interact. energy: -0.610
local terms energy: -259.424155
where:
bonds (distance) C4'-P energy: -54.298
bonds (distance) P-C4' energy: -49.167
flat angles C4'-P-C4' energy: -57.823
flat angles P-C4'-P energy: -37.738
tors. eta vs tors. theta energy: -60.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -694.719727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.719727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.719727 (E_RNA)
where:
Base-Base interactions energy: -480.541
where: short stacking energy: -198.932
Base-Backbone interact. energy: 0.923
local terms energy: -215.101704
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -60.457
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -42.182
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: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -515.238617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.238617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.238617 (E_RNA)
where:
Base-Base interactions energy: -330.087
where: short stacking energy: -150.865
Base-Backbone interact. energy: -2.383
local terms energy: -182.768715
where:
bonds (distance) C4'-P energy: -41.679
bonds (distance) P-C4' energy: -43.303
flat angles C4'-P-C4' energy: -45.175
flat angles P-C4'-P energy: -31.097
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -273.700055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.700055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.700055 (E_RNA)
where:
Base-Base interactions energy: -90.421
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.835
local terms energy: -182.443773
where:
bonds (distance) C4'-P energy: -47.354
bonds (distance) P-C4' energy: -62.847
flat angles C4'-P-C4' energy: -48.361
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: 5.942
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: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1080.357547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.357547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.357547 (E_RNA)
where:
Base-Base interactions energy: -761.740
where: short stacking energy: -320.410
Base-Backbone interact. energy: -0.674
local terms energy: -317.943619
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -68.428
flat angles P-C4'-P energy: -45.899
tors. eta vs tors. theta energy: -81.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1068.122554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.122554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.122554 (E_RNA)
where:
Base-Base interactions energy: -747.333
where: short stacking energy: -326.029
Base-Backbone interact. energy: 0.668
local terms energy: -321.457860
where:
bonds (distance) C4'-P energy: -57.629
bonds (distance) P-C4' energy: -61.519
flat angles C4'-P-C4' energy: -65.439
flat angles P-C4'-P energy: -40.558
tors. eta vs tors. theta energy: -96.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1010.488331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.488331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.488331 (E_RNA)
where:
Base-Base interactions energy: -697.996
where: short stacking energy: -317.946
Base-Backbone interact. energy: -0.213
local terms energy: -312.279215
where:
bonds (distance) C4'-P energy: -50.258
bonds (distance) P-C4' energy: -53.683
flat angles C4'-P-C4' energy: -68.024
flat angles P-C4'-P energy: -46.649
tors. eta vs tors. theta energy: -93.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1004.161666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.161666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.161666 (E_RNA)
where:
Base-Base interactions energy: -711.565
where: short stacking energy: -317.274
Base-Backbone interact. energy: 3.650
local terms energy: -296.246390
where:
bonds (distance) C4'-P energy: -51.899
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -63.699
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: -85.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -933.010266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.010266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.010266 (E_RNA)
where:
Base-Base interactions energy: -616.004
where: short stacking energy: -281.751
Base-Backbone interact. energy: -0.851
local terms energy: -316.155526
where:
bonds (distance) C4'-P energy: -54.649
bonds (distance) P-C4' energy: -62.250
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -79.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -874.807371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.807371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.807371 (E_RNA)
where:
Base-Base interactions energy: -597.157
where: short stacking energy: -256.447
Base-Backbone interact. energy: -2.975
local terms energy: -274.675227
where:
bonds (distance) C4'-P energy: -52.242
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -59.802
flat angles P-C4'-P energy: -35.971
tors. eta vs tors. theta energy: -68.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -775.663240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.663240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.663240 (E_RNA)
where:
Base-Base interactions energy: -517.727
where: short stacking energy: -217.371
Base-Backbone interact. energy: -0.163
local terms energy: -257.773930
where:
bonds (distance) C4'-P energy: -55.696
bonds (distance) P-C4' energy: -54.735
flat angles C4'-P-C4' energy: -60.602
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -53.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -729.108188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.108188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.108188 (E_RNA)
where:
Base-Base interactions energy: -485.821
where: short stacking energy: -208.238
Base-Backbone interact. energy: -2.188
local terms energy: -241.099587
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -51.011
flat angles C4'-P-C4' energy: -46.704
flat angles P-C4'-P energy: -47.478
tors. eta vs tors. theta energy: -47.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -536.902052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.902052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.902052 (E_RNA)
where:
Base-Base interactions energy: -325.842
where: short stacking energy: -163.751
Base-Backbone interact. energy: 4.889
local terms energy: -215.949453
where:
bonds (distance) C4'-P energy: -46.482
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -53.757
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -26.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -327.192595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.192595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.192595 (E_RNA)
where:
Base-Base interactions energy: -163.161
where: short stacking energy: -98.127
Base-Backbone interact. energy: -1.198
local terms energy: -162.833575
where:
bonds (distance) C4'-P energy: -36.753
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -18.262
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: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1068.887054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.887054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.887054 (E_RNA)
where:
Base-Base interactions energy: -752.121
where: short stacking energy: -311.017
Base-Backbone interact. energy: -0.700
local terms energy: -316.066187
where:
bonds (distance) C4'-P energy: -58.186
bonds (distance) P-C4' energy: -72.246
flat angles C4'-P-C4' energy: -65.780
flat angles P-C4'-P energy: -45.885
tors. eta vs tors. theta energy: -73.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1047.998061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.998061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.998061 (E_RNA)
where:
Base-Base interactions energy: -734.644
where: short stacking energy: -331.439
Base-Backbone interact. energy: 2.754
local terms energy: -316.108208
where:
bonds (distance) C4'-P energy: -53.222
bonds (distance) P-C4' energy: -60.977
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -50.655
tors. eta vs tors. theta energy: -85.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1055.402617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.402617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.402617 (E_RNA)
where:
Base-Base interactions energy: -734.586
where: short stacking energy: -319.066
Base-Backbone interact. energy: 1.390
local terms energy: -322.207176
where:
bonds (distance) C4'-P energy: -61.702
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -61.020
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -94.668
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1015.533244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.533244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.533244 (E_RNA)
where:
Base-Base interactions energy: -720.112
where: short stacking energy: -310.125
Base-Backbone interact. energy: -0.433
local terms energy: -294.987837
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -59.495
flat angles C4'-P-C4' energy: -63.053
flat angles P-C4'-P energy: -39.507
tors. eta vs tors. theta energy: -84.894
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: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -926.321444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.321444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.321444 (E_RNA)
where:
Base-Base interactions energy: -613.249
where: short stacking energy: -275.131
Base-Backbone interact. energy: -2.911
local terms energy: -310.162045
where:
bonds (distance) C4'-P energy: -63.380
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -67.701
flat angles P-C4'-P energy: -44.821
tors. eta vs tors. theta energy: -82.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -874.543423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.543423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.543423 (E_RNA)
where:
Base-Base interactions energy: -592.587
where: short stacking energy: -257.229
Base-Backbone interact. energy: -3.004
local terms energy: -278.952801
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -63.252
flat angles C4'-P-C4' energy: -58.663
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: -68.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -786.867095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.867095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.867095 (E_RNA)
where:
Base-Base interactions energy: -512.652
where: short stacking energy: -253.099
Base-Backbone interact. energy: -0.957
local terms energy: -273.258595
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -58.056
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -42.433
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -738.996911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.996911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.996911 (E_RNA)
where:
Base-Base interactions energy: -487.025
where: short stacking energy: -210.412
Base-Backbone interact. energy: 0.941
local terms energy: -252.912761
where:
bonds (distance) C4'-P energy: -49.973
bonds (distance) P-C4' energy: -56.881
flat angles C4'-P-C4' energy: -57.228
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -54.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -520.400435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.400435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.400435 (E_RNA)
where:
Base-Base interactions energy: -313.236
where: short stacking energy: -148.747
Base-Backbone interact. energy: 1.754
local terms energy: -208.919148
where:
bonds (distance) C4'-P energy: -49.958
bonds (distance) P-C4' energy: -51.160
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -31.355
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: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -333.941065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.941065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.941065 (E_RNA)
where:
Base-Base interactions energy: -168.382
where: short stacking energy: -98.664
Base-Backbone interact. energy: 1.640
local terms energy: -167.198723
where:
bonds (distance) C4'-P energy: -44.389
bonds (distance) P-C4' energy: -50.247
flat angles C4'-P-C4' energy: -42.700
flat angles P-C4'-P energy: -34.225
tors. eta vs tors. theta energy: 4.362
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: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1077.423367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.423367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.423367 (E_RNA)
where:
Base-Base interactions energy: -776.865
where: short stacking energy: -301.570
Base-Backbone interact. energy: -1.404
local terms energy: -299.154443
where:
bonds (distance) C4'-P energy: -56.217
bonds (distance) P-C4' energy: -61.983
flat angles C4'-P-C4' energy: -68.330
flat angles P-C4'-P energy: -31.989
tors. eta vs tors. theta energy: -80.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1027.530634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.530634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.530634 (E_RNA)
where:
Base-Base interactions energy: -690.979
where: short stacking energy: -323.744
Base-Backbone interact. energy: -0.971
local terms energy: -335.579845
where:
bonds (distance) C4'-P energy: -59.120
bonds (distance) P-C4' energy: -66.456
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -52.450
tors. eta vs tors. theta energy: -92.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1039.364119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.364119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.364119 (E_RNA)
where:
Base-Base interactions energy: -712.096
where: short stacking energy: -300.621
Base-Backbone interact. energy: -1.531
local terms energy: -325.736605
where:
bonds (distance) C4'-P energy: -62.461
bonds (distance) P-C4' energy: -62.743
flat angles C4'-P-C4' energy: -66.318
flat angles P-C4'-P energy: -54.575
tors. eta vs tors. theta energy: -79.639
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: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1016.193954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.193954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.193954 (E_RNA)
where:
Base-Base interactions energy: -702.841
where: short stacking energy: -309.636
Base-Backbone interact. energy: -0.781
local terms energy: -312.572418
where:
bonds (distance) C4'-P energy: -54.588
bonds (distance) P-C4' energy: -62.218
flat angles C4'-P-C4' energy: -60.436
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -93.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -950.460547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.460547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.460547 (E_RNA)
where:
Base-Base interactions energy: -657.271
where: short stacking energy: -287.478
Base-Backbone interact. energy: -1.532
local terms energy: -291.657993
where:
bonds (distance) C4'-P energy: -51.107
bonds (distance) P-C4' energy: -60.114
flat angles C4'-P-C4' energy: -60.337
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: -81.675
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: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -864.670721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.670721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.670721 (E_RNA)
where:
Base-Base interactions energy: -587.837
where: short stacking energy: -248.788
Base-Backbone interact. energy: -2.252
local terms energy: -274.582274
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -56.860
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -65.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -821.078761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.078761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.078761 (E_RNA)
where:
Base-Base interactions energy: -541.859
where: short stacking energy: -246.931
Base-Backbone interact. energy: -0.238
local terms energy: -278.982025
where:
bonds (distance) C4'-P energy: -53.769
bonds (distance) P-C4' energy: -58.352
flat angles C4'-P-C4' energy: -63.929
flat angles P-C4'-P energy: -34.783
tors. eta vs tors. theta energy: -68.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -698.445563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.445563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.445563 (E_RNA)
where:
Base-Base interactions energy: -458.665
where: short stacking energy: -195.426
Base-Backbone interact. energy: -1.862
local terms energy: -237.917902
where:
bonds (distance) C4'-P energy: -54.841
bonds (distance) P-C4' energy: -56.954
flat angles C4'-P-C4' energy: -55.799
flat angles P-C4'-P energy: -27.167
tors. eta vs tors. theta energy: -43.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -514.080498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.080498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.080498 (E_RNA)
where:
Base-Base interactions energy: -309.336
where: short stacking energy: -145.012
Base-Backbone interact. energy: -0.529
local terms energy: -204.215720
where:
bonds (distance) C4'-P energy: -52.216
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -45.932
flat angles P-C4'-P energy: -35.605
tors. eta vs tors. theta energy: -27.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -281.125094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.125094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.125094 (E_RNA)
where:
Base-Base interactions energy: -129.266
where: short stacking energy: -68.162
Base-Backbone interact. energy: -1.275
local terms energy: -150.584272
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -55.046
flat angles C4'-P-C4' energy: -42.154
flat angles P-C4'-P energy: -22.526
tors. eta vs tors. theta energy: 9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1080.364063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.364063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.364063 (E_RNA)
where:
Base-Base interactions energy: -784.597
where: short stacking energy: -306.773
Base-Backbone interact. energy: 2.066
local terms energy: -297.833465
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -67.494
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: -74.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1031.508745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.508745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.508745 (E_RNA)
where:
Base-Base interactions energy: -689.437
where: short stacking energy: -307.345
Base-Backbone interact. energy: -0.781
local terms energy: -341.290072
where:
bonds (distance) C4'-P energy: -67.758
bonds (distance) P-C4' energy: -67.694
flat angles C4'-P-C4' energy: -69.972
flat angles P-C4'-P energy: -46.076
tors. eta vs tors. theta energy: -89.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1074.592399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.592399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.592399 (E_RNA)
where:
Base-Base interactions energy: -748.180
where: short stacking energy: -323.182
Base-Backbone interact. energy: -0.543
local terms energy: -325.869359
where:
bonds (distance) C4'-P energy: -61.106
bonds (distance) P-C4' energy: -61.180
flat angles C4'-P-C4' energy: -63.169
flat angles P-C4'-P energy: -50.986
tors. eta vs tors. theta energy: -89.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -997.451109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.451109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.451109 (E_RNA)
where:
Base-Base interactions energy: -688.436
where: short stacking energy: -291.449
Base-Backbone interact. energy: 0.374
local terms energy: -309.389472
where:
bonds (distance) C4'-P energy: -45.522
bonds (distance) P-C4' energy: -67.403
flat angles C4'-P-C4' energy: -63.270
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -85.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -938.145292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.145292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.145292 (E_RNA)
where:
Base-Base interactions energy: -658.431
where: short stacking energy: -270.651
Base-Backbone interact. energy: -1.041
local terms energy: -278.673583
where:
bonds (distance) C4'-P energy: -47.799
bonds (distance) P-C4' energy: -58.277
flat angles C4'-P-C4' energy: -59.157
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -79.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -863.924779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.924779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.924779 (E_RNA)
where:
Base-Base interactions energy: -601.117
where: short stacking energy: -255.786
Base-Backbone interact. energy: 1.909
local terms energy: -264.716770
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -63.497
flat angles C4'-P-C4' energy: -55.035
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -66.304
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: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -810.956312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.956312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.956312 (E_RNA)
where:
Base-Base interactions energy: -565.197
where: short stacking energy: -246.743
Base-Backbone interact. energy: -1.565
local terms energy: -244.195001
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -53.183
flat angles C4'-P-C4' energy: -48.226
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -60.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -751.015902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.015902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.015902 (E_RNA)
where:
Base-Base interactions energy: -529.010
where: short stacking energy: -224.728
Base-Backbone interact. energy: -1.703
local terms energy: -220.302772
where:
bonds (distance) C4'-P energy: -54.082
bonds (distance) P-C4' energy: -38.686
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -51.703
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: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -497.401532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.401532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.401532 (E_RNA)
where:
Base-Base interactions energy: -306.043
where: short stacking energy: -135.183
Base-Backbone interact. energy: 3.718
local terms energy: -195.076158
where:
bonds (distance) C4'-P energy: -38.458
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -52.034
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -295.899804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.899804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.899804 (E_RNA)
where:
Base-Base interactions energy: -124.915
where: short stacking energy: -95.569
Base-Backbone interact. energy: -1.212
local terms energy: -169.773345
where:
bonds (distance) C4'-P energy: -41.812
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -46.445
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1072.147925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.147925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.147925 (E_RNA)
where:
Base-Base interactions energy: -767.290
where: short stacking energy: -300.658
Base-Backbone interact. energy: 0.764
local terms energy: -305.621091
where:
bonds (distance) C4'-P energy: -63.492
bonds (distance) P-C4' energy: -59.624
flat angles C4'-P-C4' energy: -69.013
flat angles P-C4'-P energy: -44.491
tors. eta vs tors. theta energy: -69.000
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: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1032.891846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.891846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.891846 (E_RNA)
where:
Base-Base interactions energy: -721.302
where: short stacking energy: -318.263
Base-Backbone interact. energy: -1.069
local terms energy: -310.520984
where:
bonds (distance) C4'-P energy: -42.670
bonds (distance) P-C4' energy: -59.786
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -49.159
tors. eta vs tors. theta energy: -96.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1050.013679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.013679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.013679 (E_RNA)
where:
Base-Base interactions energy: -733.082
where: short stacking energy: -320.745
Base-Backbone interact. energy: -0.826
local terms energy: -316.106198
where:
bonds (distance) C4'-P energy: -62.581
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -93.372
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: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1034.422340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.422340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.422340 (E_RNA)
where:
Base-Base interactions energy: -724.381
where: short stacking energy: -316.330
Base-Backbone interact. energy: -0.671
local terms energy: -309.370424
where:
bonds (distance) C4'-P energy: -54.262
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: -87.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -978.928194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.928194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.928194 (E_RNA)
where:
Base-Base interactions energy: -683.234
where: short stacking energy: -282.941
Base-Backbone interact. energy: 0.611
local terms energy: -296.304468
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -53.431
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -49.999
tors. eta vs tors. theta energy: -82.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -856.367156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.367156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.367156 (E_RNA)
where:
Base-Base interactions energy: -585.364
where: short stacking energy: -256.627
Base-Backbone interact. energy: -0.992
local terms energy: -270.010540
where:
bonds (distance) C4'-P energy: -45.309
bonds (distance) P-C4' energy: -59.011
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -36.650
tors. eta vs tors. theta energy: -69.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -854.248142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.248142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.248142 (E_RNA)
where:
Base-Base interactions energy: -595.026
where: short stacking energy: -248.539
Base-Backbone interact. energy: -0.009
local terms energy: -259.212681
where:
bonds (distance) C4'-P energy: -54.607
bonds (distance) P-C4' energy: -58.491
flat angles C4'-P-C4' energy: -51.955
flat angles P-C4'-P energy: -34.497
tors. eta vs tors. theta energy: -59.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -725.430523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.430523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.430523 (E_RNA)
where:
Base-Base interactions energy: -494.714
where: short stacking energy: -201.296
Base-Backbone interact. energy: -1.419
local terms energy: -229.297074
where:
bonds (distance) C4'-P energy: -51.828
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -50.438
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -44.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -477.939796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.939796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.939796 (E_RNA)
where:
Base-Base interactions energy: -307.770
where: short stacking energy: -137.376
Base-Backbone interact. energy: 3.663
local terms energy: -173.833231
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -49.561
flat angles C4'-P-C4' energy: -38.945
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -283.164337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.164337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.164337 (E_RNA)
where:
Base-Base interactions energy: -130.622
where: short stacking energy: -84.045
Base-Backbone interact. energy: -1.069
local terms energy: -151.473390
where:
bonds (distance) C4'-P energy: -57.858
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -40.545
flat angles P-C4'-P energy: -25.781
tors. eta vs tors. theta energy: 12.010
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: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1089.312811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.312811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.312811 (E_RNA)
where:
Base-Base interactions energy: -777.219
where: short stacking energy: -314.621
Base-Backbone interact. energy: -1.440
local terms energy: -310.654135
where:
bonds (distance) C4'-P energy: -57.128
bonds (distance) P-C4' energy: -61.969
flat angles C4'-P-C4' energy: -68.447
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: -74.181
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: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1078.235487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.235487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.235487 (E_RNA)
where:
Base-Base interactions energy: -754.094
where: short stacking energy: -325.102
Base-Backbone interact. energy: -0.408
local terms energy: -323.734158
where:
bonds (distance) C4'-P energy: -61.359
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -63.210
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -92.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1040.105657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.105657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.105657 (E_RNA)
where:
Base-Base interactions energy: -720.598
where: short stacking energy: -327.408
Base-Backbone interact. energy: -0.901
local terms energy: -318.607201
where:
bonds (distance) C4'-P energy: -63.546
bonds (distance) P-C4' energy: -56.317
flat angles C4'-P-C4' energy: -65.730
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -91.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1032.569612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.569612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.569612 (E_RNA)
where:
Base-Base interactions energy: -730.412
where: short stacking energy: -310.217
Base-Backbone interact. energy: 0.351
local terms energy: -302.508556
where:
bonds (distance) C4'-P energy: -51.102
bonds (distance) P-C4' energy: -61.207
flat angles C4'-P-C4' energy: -62.011
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -85.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -989.115126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.115126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.115126 (E_RNA)
where:
Base-Base interactions energy: -693.643
where: short stacking energy: -291.199
Base-Backbone interact. energy: -1.386
local terms energy: -294.086802
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -56.226
flat angles C4'-P-C4' energy: -64.800
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -86.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -860.946228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.946228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.946228 (E_RNA)
where:
Base-Base interactions energy: -597.241
where: short stacking energy: -248.578
Base-Backbone interact. energy: -1.335
local terms energy: -262.370869
where:
bonds (distance) C4'-P energy: -51.848
bonds (distance) P-C4' energy: -62.355
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -59.248
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: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -839.744871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.744871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.744871 (E_RNA)
where:
Base-Base interactions energy: -584.251
where: short stacking energy: -257.779
Base-Backbone interact. energy: -0.342
local terms energy: -255.151569
where:
bonds (distance) C4'-P energy: -43.363
bonds (distance) P-C4' energy: -51.342
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -64.631
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: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -755.585109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.585109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.585109 (E_RNA)
where:
Base-Base interactions energy: -533.455
where: short stacking energy: -229.659
Base-Backbone interact. energy: 1.716
local terms energy: -223.845244
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -48.030
flat angles C4'-P-C4' energy: -53.617
flat angles P-C4'-P energy: -33.267
tors. eta vs tors. theta energy: -53.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -505.386778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.386778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.386778 (E_RNA)
where:
Base-Base interactions energy: -299.674
where: short stacking energy: -150.693
Base-Backbone interact. energy: -1.230
local terms energy: -204.483077
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -19.538
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: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -283.738683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.738683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.738683 (E_RNA)
where:
Base-Base interactions energy: -119.516
where: short stacking energy: -62.412
Base-Backbone interact. energy: -1.745
local terms energy: -162.478209
where:
bonds (distance) C4'-P energy: -52.209
bonds (distance) P-C4' energy: -45.368
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: 6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1086.690431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.690431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.690431 (E_RNA)
where:
Base-Base interactions energy: -772.604
where: short stacking energy: -315.280
Base-Backbone interact. energy: 0.380
local terms energy: -314.466248
where:
bonds (distance) C4'-P energy: -58.965
bonds (distance) P-C4' energy: -56.391
flat angles C4'-P-C4' energy: -68.698
flat angles P-C4'-P energy: -50.688
tors. eta vs tors. theta energy: -79.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1082.597522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.597522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.597522 (E_RNA)
where:
Base-Base interactions energy: -759.547
where: short stacking energy: -318.567
Base-Backbone interact. energy: -2.010
local terms energy: -321.040983
where:
bonds (distance) C4'-P energy: -62.416
bonds (distance) P-C4' energy: -59.504
flat angles C4'-P-C4' energy: -67.947
flat angles P-C4'-P energy: -39.678
tors. eta vs tors. theta energy: -91.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1041.882344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.882344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.882344 (E_RNA)
where:
Base-Base interactions energy: -727.902
where: short stacking energy: -321.865
Base-Backbone interact. energy: -1.317
local terms energy: -312.663269
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -57.463
flat angles C4'-P-C4' energy: -72.660
flat angles P-C4'-P energy: -47.273
tors. eta vs tors. theta energy: -86.368
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: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -998.700536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.700536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.700536 (E_RNA)
where:
Base-Base interactions energy: -698.012
where: short stacking energy: -311.274
Base-Backbone interact. energy: -1.679
local terms energy: -299.009823
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -65.891
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -88.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -970.185433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.185433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.185433 (E_RNA)
where:
Base-Base interactions energy: -659.627
where: short stacking energy: -284.934
Base-Backbone interact. energy: -0.065
local terms energy: -310.493533
where:
bonds (distance) C4'-P energy: -54.350
bonds (distance) P-C4' energy: -59.284
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -48.987
tors. eta vs tors. theta energy: -83.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -836.894936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.894936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.894936 (E_RNA)
where:
Base-Base interactions energy: -565.158
where: short stacking energy: -240.724
Base-Backbone interact. energy: -2.353
local terms energy: -269.384296
where:
bonds (distance) C4'-P energy: -53.339
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -62.839
flat angles P-C4'-P energy: -35.052
tors. eta vs tors. theta energy: -62.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -790.552428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.552428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.552428 (E_RNA)
where:
Base-Base interactions energy: -526.428
where: short stacking energy: -226.231
Base-Backbone interact. energy: 3.370
local terms energy: -267.494149
where:
bonds (distance) C4'-P energy: -47.798
bonds (distance) P-C4' energy: -61.104
flat angles C4'-P-C4' energy: -55.868
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -62.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -730.320864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.320864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.320864 (E_RNA)
where:
Base-Base interactions energy: -504.652
where: short stacking energy: -203.386
Base-Backbone interact. energy: 1.198
local terms energy: -226.866734
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -54.211
flat angles C4'-P-C4' energy: -58.411
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -43.184
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: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -519.483823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.483823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.483823 (E_RNA)
where:
Base-Base interactions energy: -341.796
where: short stacking energy: -158.823
Base-Backbone interact. energy: 1.439
local terms energy: -179.126609
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -42.651
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: -24.660
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: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -276.847531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.847531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.847531 (E_RNA)
where:
Base-Base interactions energy: -108.030
where: short stacking energy: -86.295
Base-Backbone interact. energy: 3.152
local terms energy: -171.969558
where:
bonds (distance) C4'-P energy: -47.634
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -28.703
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1091.936335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.936335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.936335 (E_RNA)
where:
Base-Base interactions energy: -776.842
where: short stacking energy: -317.739
Base-Backbone interact. energy: -0.688
local terms energy: -314.407214
where:
bonds (distance) C4'-P energy: -57.369
bonds (distance) P-C4' energy: -65.107
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -48.030
tors. eta vs tors. theta energy: -80.128
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1088.193711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.193711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.193711 (E_RNA)
where:
Base-Base interactions energy: -750.587
where: short stacking energy: -322.496
Base-Backbone interact. energy: -2.769
local terms energy: -334.837638
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -64.908
flat angles C4'-P-C4' energy: -68.584
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -93.753
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: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1034.493405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.493405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.493405 (E_RNA)
where:
Base-Base interactions energy: -723.610
where: short stacking energy: -308.237
Base-Backbone interact. energy: 5.563
local terms energy: -316.446660
where:
bonds (distance) C4'-P energy: -56.698
bonds (distance) P-C4' energy: -55.840
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -44.206
tors. eta vs tors. theta energy: -94.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1003.200787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.200787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.200787 (E_RNA)
where:
Base-Base interactions energy: -691.157
where: short stacking energy: -312.605
Base-Backbone interact. energy: -1.713
local terms energy: -310.331312
where:
bonds (distance) C4'-P energy: -58.987
bonds (distance) P-C4' energy: -50.349
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -44.114
tors. eta vs tors. theta energy: -94.158
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: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -952.295040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.295040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.295040 (E_RNA)
where:
Base-Base interactions energy: -658.203
where: short stacking energy: -277.547
Base-Backbone interact. energy: -0.513
local terms energy: -293.579291
where:
bonds (distance) C4'-P energy: -50.793
bonds (distance) P-C4' energy: -53.444
flat angles C4'-P-C4' energy: -64.779
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -83.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -869.740799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.740799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.740799 (E_RNA)
where:
Base-Base interactions energy: -600.594
where: short stacking energy: -255.708
Base-Backbone interact. energy: -0.944
local terms energy: -268.203384
where:
bonds (distance) C4'-P energy: -53.383
bonds (distance) P-C4' energy: -57.782
flat angles C4'-P-C4' energy: -57.777
flat angles P-C4'-P energy: -33.886
tors. eta vs tors. theta energy: -65.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -797.920968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.920968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.920968 (E_RNA)
where:
Base-Base interactions energy: -536.622
where: short stacking energy: -222.776
Base-Backbone interact. energy: -3.193
local terms energy: -258.105718
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -59.741
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -60.799
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: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -736.939131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.939131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.939131 (E_RNA)
where:
Base-Base interactions energy: -495.239
where: short stacking energy: -211.487
Base-Backbone interact. energy: -1.269
local terms energy: -240.431224
where:
bonds (distance) C4'-P energy: -45.367
bonds (distance) P-C4' energy: -46.796
flat angles C4'-P-C4' energy: -61.046
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: -55.950
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: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -560.838473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.838473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.838473 (E_RNA)
where:
Base-Base interactions energy: -350.749
where: short stacking energy: -160.285
Base-Backbone interact. energy: -0.122
local terms energy: -209.966878
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -45.348
flat angles P-C4'-P energy: -36.068
tors. eta vs tors. theta energy: -35.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -270.495343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.495343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.495343 (E_RNA)
where:
Base-Base interactions energy: -112.021
where: short stacking energy: -74.907
Base-Backbone interact. energy: -1.106
local terms energy: -157.368498
where:
bonds (distance) C4'-P energy: -51.788
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1091.368947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.368947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.368947 (E_RNA)
where:
Base-Base interactions energy: -778.532
where: short stacking energy: -326.050
Base-Backbone interact. energy: -1.490
local terms energy: -311.346944
where:
bonds (distance) C4'-P energy: -60.952
bonds (distance) P-C4' energy: -57.256
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -42.393
tors. eta vs tors. theta energy: -79.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1091.838205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.838205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.838205 (E_RNA)
where:
Base-Base interactions energy: -770.707
where: short stacking energy: -337.450
Base-Backbone interact. energy: 0.191
local terms energy: -321.322858
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -53.677
flat angles C4'-P-C4' energy: -63.519
flat angles P-C4'-P energy: -40.585
tors. eta vs tors. theta energy: -97.944
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: 224
Temperature: 1.000000
Total energy: -1023.092052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.092052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.092052 (E_RNA)
where:
Base-Base interactions energy: -691.056
where: short stacking energy: -313.882
Base-Backbone interact. energy: -0.609
local terms energy: -331.426707
where:
bonds (distance) C4'-P energy: -65.609
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -74.529
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -80.219
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: 224
Temperature: 1.050000
Total energy: -1031.160846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.160846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.160846 (E_RNA)
where:
Base-Base interactions energy: -732.864
where: short stacking energy: -307.145
Base-Backbone interact. energy: 3.391
local terms energy: -301.687960
where:
bonds (distance) C4'-P energy: -46.522
bonds (distance) P-C4' energy: -71.856
flat angles C4'-P-C4' energy: -61.173
flat angles P-C4'-P energy: -38.702
tors. eta vs tors. theta energy: -83.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -957.590430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.590430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.590430 (E_RNA)
where:
Base-Base interactions energy: -644.160
where: short stacking energy: -285.278
Base-Backbone interact. energy: -0.432
local terms energy: -312.998360
where:
bonds (distance) C4'-P energy: -54.864
bonds (distance) P-C4' energy: -65.778
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -82.128
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: 224
Temperature: 1.150000
Total energy: -857.096987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.096987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.096987 (E_RNA)
where:
Base-Base interactions energy: -574.506
where: short stacking energy: -253.209
Base-Backbone interact. energy: -1.095
local terms energy: -281.496012
where:
bonds (distance) C4'-P energy: -47.539
bonds (distance) P-C4' energy: -62.511
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -38.405
tors. eta vs tors. theta energy: -70.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -843.905784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.905784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.905784 (E_RNA)
where:
Base-Base interactions energy: -575.802
where: short stacking energy: -243.168
Base-Backbone interact. energy: -0.850
local terms energy: -267.254656
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -52.237
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -66.910
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: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -696.183515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.183515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.183515 (E_RNA)
where:
Base-Base interactions energy: -463.079
where: short stacking energy: -193.572
Base-Backbone interact. energy: -0.812
local terms energy: -232.291999
where:
bonds (distance) C4'-P energy: -53.680
bonds (distance) P-C4' energy: -54.048
flat angles C4'-P-C4' energy: -45.400
flat angles P-C4'-P energy: -35.031
tors. eta vs tors. theta energy: -44.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -574.930555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.930555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.930555 (E_RNA)
where:
Base-Base interactions energy: -372.576
where: short stacking energy: -181.174
Base-Backbone interact. energy: -1.030
local terms energy: -201.324310
where:
bonds (distance) C4'-P energy: -53.329
bonds (distance) P-C4' energy: -44.141
flat angles C4'-P-C4' energy: -47.310
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -32.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -260.637423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.637423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.637423 (E_RNA)
where:
Base-Base interactions energy: -105.707
where: short stacking energy: -85.597
Base-Backbone interact. energy: -0.042
local terms energy: -154.888414
where:
bonds (distance) C4'-P energy: -44.272
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: 4.305
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: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1098.624944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.624944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.624944 (E_RNA)
where:
Base-Base interactions energy: -778.697
where: short stacking energy: -317.908
Base-Backbone interact. energy: -3.445
local terms energy: -316.482993
where:
bonds (distance) C4'-P energy: -61.085
bonds (distance) P-C4' energy: -58.808
flat angles C4'-P-C4' energy: -67.983
flat angles P-C4'-P energy: -46.434
tors. eta vs tors. theta energy: -82.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1049.701103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.701103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.701103 (E_RNA)
where:
Base-Base interactions energy: -716.708
where: short stacking energy: -335.740
Base-Backbone interact. energy: 0.111
local terms energy: -333.103481
where:
bonds (distance) C4'-P energy: -58.284
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -66.998
flat angles P-C4'-P energy: -53.833
tors. eta vs tors. theta energy: -101.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1046.846028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.846028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.846028 (E_RNA)
where:
Base-Base interactions energy: -719.267
where: short stacking energy: -317.048
Base-Backbone interact. energy: -0.125
local terms energy: -327.453777
where:
bonds (distance) C4'-P energy: -59.491
bonds (distance) P-C4' energy: -68.084
flat angles C4'-P-C4' energy: -68.002
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -91.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -984.993746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.993746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.993746 (E_RNA)
where:
Base-Base interactions energy: -685.912
where: short stacking energy: -321.325
Base-Backbone interact. energy: -2.086
local terms energy: -296.996545
where:
bonds (distance) C4'-P energy: -56.786
bonds (distance) P-C4' energy: -54.265
flat angles C4'-P-C4' energy: -61.571
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -85.797
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: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -978.514110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.514110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.514110 (E_RNA)
where:
Base-Base interactions energy: -675.490
where: short stacking energy: -299.094
Base-Backbone interact. energy: 1.009
local terms energy: -304.033072
where:
bonds (distance) C4'-P energy: -50.812
bonds (distance) P-C4' energy: -54.203
flat angles C4'-P-C4' energy: -65.349
flat angles P-C4'-P energy: -52.012
tors. eta vs tors. theta energy: -81.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -878.447533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.447533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.447533 (E_RNA)
where:
Base-Base interactions energy: -606.329
where: short stacking energy: -268.954
Base-Backbone interact. energy: -2.069
local terms energy: -270.049052
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -61.735
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -69.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -860.045077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.045077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.045077 (E_RNA)
where:
Base-Base interactions energy: -596.177
where: short stacking energy: -268.676
Base-Backbone interact. energy: -1.527
local terms energy: -262.340403
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -56.257
flat angles C4'-P-C4' energy: -64.410
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -59.901
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: 225
Temperature: 1.250000
Total energy: -693.602208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.602208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.602208 (E_RNA)
where:
Base-Base interactions energy: -458.711
where: short stacking energy: -196.920
Base-Backbone interact. energy: 0.432
local terms energy: -235.323127
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -57.475
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -34.337
tors. eta vs tors. theta energy: -39.554
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: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -576.077618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.077618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.077618 (E_RNA)
where:
Base-Base interactions energy: -377.594
where: short stacking energy: -175.275
Base-Backbone interact. energy: 4.571
local terms energy: -203.054735
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -45.000
flat angles C4'-P-C4' energy: -46.462
flat angles P-C4'-P energy: -31.781
tors. eta vs tors. theta energy: -28.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -279.436502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.436502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.436502 (E_RNA)
where:
Base-Base interactions energy: -128.949
where: short stacking energy: -90.404
Base-Backbone interact. energy: -1.395
local terms energy: -149.092095
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -41.729
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1094.312578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.312578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.312578 (E_RNA)
where:
Base-Base interactions energy: -785.990
where: short stacking energy: -310.641
Base-Backbone interact. energy: 1.435
local terms energy: -309.757885
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -64.995
flat angles C4'-P-C4' energy: -68.282
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -78.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1042.055147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.055147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.055147 (E_RNA)
where:
Base-Base interactions energy: -716.531
where: short stacking energy: -331.805
Base-Backbone interact. energy: -0.243
local terms energy: -325.280724
where:
bonds (distance) C4'-P energy: -52.980
bonds (distance) P-C4' energy: -53.598
flat angles C4'-P-C4' energy: -72.425
flat angles P-C4'-P energy: -50.530
tors. eta vs tors. theta energy: -95.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1045.180121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.180121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.180121 (E_RNA)
where:
Base-Base interactions energy: -727.562
where: short stacking energy: -319.496
Base-Backbone interact. energy: -1.106
local terms energy: -316.512958
where:
bonds (distance) C4'-P energy: -57.616
bonds (distance) P-C4' energy: -63.930
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: -88.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -978.342170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.342170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.342170 (E_RNA)
where:
Base-Base interactions energy: -667.876
where: short stacking energy: -295.567
Base-Backbone interact. energy: -0.321
local terms energy: -310.144315
where:
bonds (distance) C4'-P energy: -60.901
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -66.394
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -86.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -991.031615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.031615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.031615 (E_RNA)
where:
Base-Base interactions energy: -678.733
where: short stacking energy: -307.307
Base-Backbone interact. energy: -1.031
local terms energy: -311.267235
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -57.886
flat angles C4'-P-C4' energy: -66.338
flat angles P-C4'-P energy: -48.526
tors. eta vs tors. theta energy: -85.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -876.655210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.655210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.655210 (E_RNA)
where:
Base-Base interactions energy: -584.964
where: short stacking energy: -254.074
Base-Backbone interact. energy: 0.280
local terms energy: -291.971870
where:
bonds (distance) C4'-P energy: -61.126
bonds (distance) P-C4' energy: -59.011
flat angles C4'-P-C4' energy: -64.800
flat angles P-C4'-P energy: -36.549
tors. eta vs tors. theta energy: -70.485
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: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -846.442785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.442785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.442785 (E_RNA)
where:
Base-Base interactions energy: -607.843
where: short stacking energy: -246.887
Base-Backbone interact. energy: -1.983
local terms energy: -236.616966
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -39.066
flat angles C4'-P-C4' energy: -60.118
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -58.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -676.127646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.127646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.127646 (E_RNA)
where:
Base-Base interactions energy: -447.270
where: short stacking energy: -202.113
Base-Backbone interact. energy: 0.415
local terms energy: -229.273132
where:
bonds (distance) C4'-P energy: -52.014
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -36.241
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: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -557.002668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.002668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.002668 (E_RNA)
where:
Base-Base interactions energy: -343.722
where: short stacking energy: -171.924
Base-Backbone interact. energy: -2.108
local terms energy: -211.172737
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -61.956
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -27.071
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: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -281.450333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.450333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.450333 (E_RNA)
where:
Base-Base interactions energy: -147.659
where: short stacking energy: -90.189
Base-Backbone interact. energy: -2.008
local terms energy: -131.783535
where:
bonds (distance) C4'-P energy: -43.521
bonds (distance) P-C4' energy: -38.114
flat angles C4'-P-C4' energy: -49.003
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: 12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1102.273544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.273544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.273544 (E_RNA)
where:
Base-Base interactions energy: -779.305
where: short stacking energy: -324.624
Base-Backbone interact. energy: -1.892
local terms energy: -321.077178
where:
bonds (distance) C4'-P energy: -61.849
bonds (distance) P-C4' energy: -63.266
flat angles C4'-P-C4' energy: -68.255
flat angles P-C4'-P energy: -47.055
tors. eta vs tors. theta energy: -80.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1088.926323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.926323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.926323 (E_RNA)
where:
Base-Base interactions energy: -770.235
where: short stacking energy: -346.638
Base-Backbone interact. energy: 2.256
local terms energy: -320.947756
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -70.405
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -93.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1025.948134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.948134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.948134 (E_RNA)
where:
Base-Base interactions energy: -692.566
where: short stacking energy: -321.572
Base-Backbone interact. energy: -1.088
local terms energy: -332.293517
where:
bonds (distance) C4'-P energy: -62.665
bonds (distance) P-C4' energy: -59.492
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -96.877
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: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -970.950658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.950658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.950658 (E_RNA)
where:
Base-Base interactions energy: -660.420
where: short stacking energy: -300.927
Base-Backbone interact. energy: -0.313
local terms energy: -310.217828
where:
bonds (distance) C4'-P energy: -60.341
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -62.046
flat angles P-C4'-P energy: -51.321
tors. eta vs tors. theta energy: -84.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -991.202367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.202367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.202367 (E_RNA)
where:
Base-Base interactions energy: -682.943
where: short stacking energy: -300.539
Base-Backbone interact. energy: -0.422
local terms energy: -307.837643
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -54.841
flat angles C4'-P-C4' energy: -66.995
flat angles P-C4'-P energy: -45.838
tors. eta vs tors. theta energy: -89.748
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: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -870.565844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.565844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.565844 (E_RNA)
where:
Base-Base interactions energy: -608.939
where: short stacking energy: -269.640
Base-Backbone interact. energy: -0.828
local terms energy: -260.799566
where:
bonds (distance) C4'-P energy: -53.450
bonds (distance) P-C4' energy: -52.564
flat angles C4'-P-C4' energy: -55.806
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: -66.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -840.481361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.481361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.481361 (E_RNA)
where:
Base-Base interactions energy: -566.237
where: short stacking energy: -261.749
Base-Backbone interact. energy: -1.839
local terms energy: -272.405482
where:
bonds (distance) C4'-P energy: -46.920
bonds (distance) P-C4' energy: -62.056
flat angles C4'-P-C4' energy: -64.697
flat angles P-C4'-P energy: -41.501
tors. eta vs tors. theta energy: -57.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -753.045589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.045589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.045589 (E_RNA)
where:
Base-Base interactions energy: -516.022
where: short stacking energy: -210.769
Base-Backbone interact. energy: -2.518
local terms energy: -234.505524
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -31.689
tors. eta vs tors. theta energy: -45.892
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: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -562.609470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.609470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.609470 (E_RNA)
where:
Base-Base interactions energy: -363.053
where: short stacking energy: -156.539
Base-Backbone interact. energy: -2.235
local terms energy: -197.321782
where:
bonds (distance) C4'-P energy: -41.112
bonds (distance) P-C4' energy: -43.908
flat angles C4'-P-C4' energy: -51.839
flat angles P-C4'-P energy: -33.608
tors. eta vs tors. theta energy: -26.855
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: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -261.248985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.248985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.248985 (E_RNA)
where:
Base-Base interactions energy: -100.940
where: short stacking energy: -87.648
Base-Backbone interact. energy: 0.700
local terms energy: -161.009554
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -60.149
flat angles C4'-P-C4' energy: -39.929
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: 14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1083.880128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.880128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.880128 (E_RNA)
where:
Base-Base interactions energy: -770.870
where: short stacking energy: -308.516
Base-Backbone interact. energy: -0.837
local terms energy: -312.173274
where:
bonds (distance) C4'-P energy: -67.383
bonds (distance) P-C4' energy: -58.576
flat angles C4'-P-C4' energy: -71.616
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -73.732
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: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1081.427934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.427934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.427934 (E_RNA)
where:
Base-Base interactions energy: -754.377
where: short stacking energy: -337.966
Base-Backbone interact. energy: -1.509
local terms energy: -325.542549
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -55.211
flat angles C4'-P-C4' energy: -69.660
flat angles P-C4'-P energy: -40.485
tors. eta vs tors. theta energy: -101.524
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: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1030.560307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.560307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.560307 (E_RNA)
where:
Base-Base interactions energy: -711.002
where: short stacking energy: -321.473
Base-Backbone interact. energy: -0.780
local terms energy: -318.778618
where:
bonds (distance) C4'-P energy: -58.258
bonds (distance) P-C4' energy: -64.772
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -45.087
tors. eta vs tors. theta energy: -89.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -974.672031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.672031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.672031 (E_RNA)
where:
Base-Base interactions energy: -669.160
where: short stacking energy: -311.611
Base-Backbone interact. energy: -1.721
local terms energy: -303.791116
where:
bonds (distance) C4'-P energy: -53.776
bonds (distance) P-C4' energy: -46.124
flat angles C4'-P-C4' energy: -63.332
flat angles P-C4'-P energy: -52.967
tors. eta vs tors. theta energy: -87.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -968.055449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.055449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.055449 (E_RNA)
where:
Base-Base interactions energy: -676.103
where: short stacking energy: -288.814
Base-Backbone interact. energy: 1.566
local terms energy: -293.518670
where:
bonds (distance) C4'-P energy: -55.206
bonds (distance) P-C4' energy: -51.392
flat angles C4'-P-C4' energy: -69.760
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -77.797
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: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -839.223333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.223333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.223333 (E_RNA)
where:
Base-Base interactions energy: -568.114
where: short stacking energy: -246.235
Base-Backbone interact. energy: -0.687
local terms energy: -270.422414
where:
bonds (distance) C4'-P energy: -59.078
bonds (distance) P-C4' energy: -46.625
flat angles C4'-P-C4' energy: -58.264
flat angles P-C4'-P energy: -42.283
tors. eta vs tors. theta energy: -64.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -866.407438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.407438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.407438 (E_RNA)
where:
Base-Base interactions energy: -606.389
where: short stacking energy: -270.793
Base-Backbone interact. energy: -0.768
local terms energy: -259.250837
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -46.420
flat angles C4'-P-C4' energy: -53.680
flat angles P-C4'-P energy: -36.037
tors. eta vs tors. theta energy: -76.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -744.767736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.767736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.767736 (E_RNA)
where:
Base-Base interactions energy: -482.995
where: short stacking energy: -220.736
Base-Backbone interact. energy: -2.496
local terms energy: -259.276295
where:
bonds (distance) C4'-P energy: -53.333
bonds (distance) P-C4' energy: -62.744
flat angles C4'-P-C4' energy: -56.133
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -55.692
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: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -509.804154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.804154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.804154 (E_RNA)
where:
Base-Base interactions energy: -310.558
where: short stacking energy: -144.723
Base-Backbone interact. energy: 0.441
local terms energy: -199.686996
where:
bonds (distance) C4'-P energy: -43.475
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -24.695
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: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -260.829533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.829533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.829533 (E_RNA)
where:
Base-Base interactions energy: -95.374
where: short stacking energy: -86.487
Base-Backbone interact. energy: -1.224
local terms energy: -164.231813
where:
bonds (distance) C4'-P energy: -54.953
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -46.977
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: 7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1085.836625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.836625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.836625 (E_RNA)
where:
Base-Base interactions energy: -756.314
where: short stacking energy: -307.060
Base-Backbone interact. energy: -3.587
local terms energy: -325.935901
where:
bonds (distance) C4'-P energy: -65.115
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -68.413
flat angles P-C4'-P energy: -50.139
tors. eta vs tors. theta energy: -85.113
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: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1082.684867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.684867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.684867 (E_RNA)
where:
Base-Base interactions energy: -756.648
where: short stacking energy: -336.968
Base-Backbone interact. energy: -0.560
local terms energy: -325.476583
where:
bonds (distance) C4'-P energy: -58.568
bonds (distance) P-C4' energy: -56.985
flat angles C4'-P-C4' energy: -70.970
flat angles P-C4'-P energy: -43.390
tors. eta vs tors. theta energy: -95.564
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1017.454519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.454519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.454519 (E_RNA)
where:
Base-Base interactions energy: -683.063
where: short stacking energy: -307.773
Base-Backbone interact. energy: -1.620
local terms energy: -332.770703
where:
bonds (distance) C4'-P energy: -58.022
bonds (distance) P-C4' energy: -60.977
flat angles C4'-P-C4' energy: -69.887
flat angles P-C4'-P energy: -51.818
tors. eta vs tors. theta energy: -92.067
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: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -978.508688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.508688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.508688 (E_RNA)
where:
Base-Base interactions energy: -672.423
where: short stacking energy: -296.621
Base-Backbone interact. energy: -2.369
local terms energy: -303.716413
where:
bonds (distance) C4'-P energy: -60.537
bonds (distance) P-C4' energy: -62.874
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -37.799
tors. eta vs tors. theta energy: -86.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -971.656609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.656609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.656609 (E_RNA)
where:
Base-Base interactions energy: -672.480
where: short stacking energy: -288.602
Base-Backbone interact. energy: 2.326
local terms energy: -301.502493
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -61.732
flat angles C4'-P-C4' energy: -55.262
flat angles P-C4'-P energy: -44.670
tors. eta vs tors. theta energy: -87.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -891.741753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.741753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.741753 (E_RNA)
where:
Base-Base interactions energy: -604.225
where: short stacking energy: -244.930
Base-Backbone interact. energy: -1.610
local terms energy: -285.906469
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -64.480
flat angles C4'-P-C4' energy: -60.725
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -65.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -844.621136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.621136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.621136 (E_RNA)
where:
Base-Base interactions energy: -582.824
where: short stacking energy: -248.290
Base-Backbone interact. energy: -0.272
local terms energy: -261.524971
where:
bonds (distance) C4'-P energy: -56.131
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -66.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -733.782296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.782296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.782296 (E_RNA)
where:
Base-Base interactions energy: -482.309
where: short stacking energy: -207.476
Base-Backbone interact. energy: 2.591
local terms energy: -254.064593
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -58.438
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -40.533
tors. eta vs tors. theta energy: -56.320
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: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -543.852131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.852131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.852131 (E_RNA)
where:
Base-Base interactions energy: -340.395
where: short stacking energy: -163.056
Base-Backbone interact. energy: 1.307
local terms energy: -204.764026
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -50.064
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -35.598
tors. eta vs tors. theta energy: -25.838
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: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -268.937234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.937234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.937234 (E_RNA)
where:
Base-Base interactions energy: -95.735
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.316
local terms energy: -172.886941
where:
bonds (distance) C4'-P energy: -51.042
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -48.367
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -3.200
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: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1104.036061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.036061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.036061 (E_RNA)
where:
Base-Base interactions energy: -767.403
where: short stacking energy: -345.317
Base-Backbone interact. energy: -3.290
local terms energy: -333.343327
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -62.861
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -45.041
tors. eta vs tors. theta energy: -100.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1064.759342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.759342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.759342 (E_RNA)
where:
Base-Base interactions energy: -742.903
where: short stacking energy: -305.166
Base-Backbone interact. energy: -1.442
local terms energy: -320.414118
where:
bonds (distance) C4'-P energy: -55.968
bonds (distance) P-C4' energy: -69.297
flat angles C4'-P-C4' energy: -69.116
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: -83.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1016.610749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.610749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.610749 (E_RNA)
where:
Base-Base interactions energy: -698.550
where: short stacking energy: -320.125
Base-Backbone interact. energy: 1.493
local terms energy: -319.553668
where:
bonds (distance) C4'-P energy: -57.541
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -65.258
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -90.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -995.901764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.901764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.901764 (E_RNA)
where:
Base-Base interactions energy: -675.520
where: short stacking energy: -313.879
Base-Backbone interact. energy: -0.150
local terms energy: -320.231936
where:
bonds (distance) C4'-P energy: -47.202
bonds (distance) P-C4' energy: -57.901
flat angles C4'-P-C4' energy: -73.615
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -99.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -980.091129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.091129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.091129 (E_RNA)
where:
Base-Base interactions energy: -672.869
where: short stacking energy: -303.972
Base-Backbone interact. energy: -0.417
local terms energy: -306.805006
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -49.830
flat angles C4'-P-C4' energy: -72.095
flat angles P-C4'-P energy: -49.891
tors. eta vs tors. theta energy: -84.891
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -896.221329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.221329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.221329 (E_RNA)
where:
Base-Base interactions energy: -608.399
where: short stacking energy: -260.443
Base-Backbone interact. energy: -1.211
local terms energy: -286.611975
where:
bonds (distance) C4'-P energy: -57.299
bonds (distance) P-C4' energy: -58.109
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -39.386
tors. eta vs tors. theta energy: -69.371
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: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -837.185910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.185910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.185910 (E_RNA)
where:
Base-Base interactions energy: -568.027
where: short stacking energy: -244.170
Base-Backbone interact. energy: -0.603
local terms energy: -268.555945
where:
bonds (distance) C4'-P energy: -41.092
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -59.588
flat angles P-C4'-P energy: -35.186
tors. eta vs tors. theta energy: -68.936
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: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -693.184179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.184179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.184179 (E_RNA)
where:
Base-Base interactions energy: -475.478
where: short stacking energy: -189.831
Base-Backbone interact. energy: -0.114
local terms energy: -217.592108
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -54.554
flat angles C4'-P-C4' energy: -51.911
flat angles P-C4'-P energy: -32.993
tors. eta vs tors. theta energy: -37.410
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: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -612.920279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.920279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.920279 (E_RNA)
where:
Base-Base interactions energy: -399.109
where: short stacking energy: -183.225
Base-Backbone interact. energy: -0.587
local terms energy: -213.224571
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -53.853
flat angles C4'-P-C4' energy: -50.912
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -25.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -257.197020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.197020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.197020 (E_RNA)
where:
Base-Base interactions energy: -100.080
where: short stacking energy: -67.505
Base-Backbone interact. energy: 1.503
local terms energy: -158.619921
where:
bonds (distance) C4'-P energy: -40.888
bonds (distance) P-C4' energy: -61.290
flat angles C4'-P-C4' energy: -44.552
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: 7.410
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: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1100.312733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.312733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.312733 (E_RNA)
where:
Base-Base interactions energy: -739.481
where: short stacking energy: -325.323
Base-Backbone interact. energy: -3.299
local terms energy: -357.533441
where:
bonds (distance) C4'-P energy: -65.483
bonds (distance) P-C4' energy: -68.598
flat angles C4'-P-C4' energy: -73.257
flat angles P-C4'-P energy: -48.500
tors. eta vs tors. theta energy: -101.696
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: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1063.558762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.558762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.558762 (E_RNA)
where:
Base-Base interactions energy: -766.773
where: short stacking energy: -313.949
Base-Backbone interact. energy: -0.682
local terms energy: -296.104251
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -56.134
flat angles C4'-P-C4' energy: -63.056
flat angles P-C4'-P energy: -40.622
tors. eta vs tors. theta energy: -74.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1009.335634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.335634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.335634 (E_RNA)
where:
Base-Base interactions energy: -695.557
where: short stacking energy: -315.117
Base-Backbone interact. energy: -0.044
local terms energy: -313.733940
where:
bonds (distance) C4'-P energy: -59.020
bonds (distance) P-C4' energy: -60.327
flat angles C4'-P-C4' energy: -63.008
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -92.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1024.690640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.690640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.690640 (E_RNA)
where:
Base-Base interactions energy: -692.952
where: short stacking energy: -316.939
Base-Backbone interact. energy: -0.775
local terms energy: -330.963569
where:
bonds (distance) C4'-P energy: -55.935
bonds (distance) P-C4' energy: -60.925
flat angles C4'-P-C4' energy: -70.636
flat angles P-C4'-P energy: -47.732
tors. eta vs tors. theta energy: -95.736
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1000.954690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.954690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.954690 (E_RNA)
where:
Base-Base interactions energy: -692.038
where: short stacking energy: -306.572
Base-Backbone interact. energy: -0.720
local terms energy: -308.196993
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -55.589
flat angles C4'-P-C4' energy: -62.321
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -91.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -881.452836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.452836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.452836 (E_RNA)
where:
Base-Base interactions energy: -600.703
where: short stacking energy: -260.635
Base-Backbone interact. energy: 0.020
local terms energy: -280.770202
where:
bonds (distance) C4'-P energy: -46.095
bonds (distance) P-C4' energy: -64.199
flat angles C4'-P-C4' energy: -53.037
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -83.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -918.573316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.573316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.573316 (E_RNA)
where:
Base-Base interactions energy: -642.018
where: short stacking energy: -278.459
Base-Backbone interact. energy: -1.939
local terms energy: -274.617018
where:
bonds (distance) C4'-P energy: -49.222
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -66.922
flat angles P-C4'-P energy: -36.664
tors. eta vs tors. theta energy: -76.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -697.547078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.547078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.547078 (E_RNA)
where:
Base-Base interactions energy: -472.141
where: short stacking energy: -192.485
Base-Backbone interact. energy: -0.451
local terms energy: -224.954747
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -54.984
flat angles C4'-P-C4' energy: -56.849
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -40.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -574.904305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.904305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.904305 (E_RNA)
where:
Base-Base interactions energy: -366.648
where: short stacking energy: -167.167
Base-Backbone interact. energy: -0.399
local terms energy: -207.856860
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -58.453
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -23.006
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: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -267.257379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.257379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.257379 (E_RNA)
where:
Base-Base interactions energy: -79.536
where: short stacking energy: -63.590
Base-Backbone interact. energy: 1.568
local terms energy: -189.289998
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -53.860
flat angles C4'-P-C4' energy: -43.784
flat angles P-C4'-P energy: -39.443
tors. eta vs tors. theta energy: 6.197
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: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1100.119317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.119317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.119317 (E_RNA)
where:
Base-Base interactions energy: -755.797
where: short stacking energy: -333.945
Base-Backbone interact. energy: -1.634
local terms energy: -342.689079
where:
bonds (distance) C4'-P energy: -59.364
bonds (distance) P-C4' energy: -61.694
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -56.986
tors. eta vs tors. theta energy: -98.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1041.779917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.779917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.779917 (E_RNA)
where:
Base-Base interactions energy: -738.413
where: short stacking energy: -313.576
Base-Backbone interact. energy: -1.001
local terms energy: -302.365944
where:
bonds (distance) C4'-P energy: -50.792
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -67.991
flat angles P-C4'-P energy: -51.719
tors. eta vs tors. theta energy: -78.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1010.646381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.646381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.646381 (E_RNA)
where:
Base-Base interactions energy: -688.860
where: short stacking energy: -311.808
Base-Backbone interact. energy: -0.246
local terms energy: -321.539942
where:
bonds (distance) C4'-P energy: -59.777
bonds (distance) P-C4' energy: -61.129
flat angles C4'-P-C4' energy: -61.867
flat angles P-C4'-P energy: -42.763
tors. eta vs tors. theta energy: -96.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -980.006530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.006530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.006530 (E_RNA)
where:
Base-Base interactions energy: -673.159
where: short stacking energy: -308.571
Base-Backbone interact. energy: 0.696
local terms energy: -307.543525
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -55.000
flat angles C4'-P-C4' energy: -66.457
flat angles P-C4'-P energy: -43.362
tors. eta vs tors. theta energy: -80.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -996.826039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.826039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.826039 (E_RNA)
where:
Base-Base interactions energy: -689.040
where: short stacking energy: -321.848
Base-Backbone interact. energy: -0.346
local terms energy: -307.439100
where:
bonds (distance) C4'-P energy: -57.244
bonds (distance) P-C4' energy: -55.500
flat angles C4'-P-C4' energy: -67.861
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -91.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -872.611765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.611765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.611765 (E_RNA)
where:
Base-Base interactions energy: -587.179
where: short stacking energy: -270.943
Base-Backbone interact. energy: -1.369
local terms energy: -284.063717
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -57.943
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -86.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -877.055935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.055935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.055935 (E_RNA)
where:
Base-Base interactions energy: -613.226
where: short stacking energy: -254.118
Base-Backbone interact. energy: -2.090
local terms energy: -261.740000
where:
bonds (distance) C4'-P energy: -53.663
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -70.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -705.745629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.745629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.745629 (E_RNA)
where:
Base-Base interactions energy: -467.037
where: short stacking energy: -201.969
Base-Backbone interact. energy: 0.337
local terms energy: -239.045875
where:
bonds (distance) C4'-P energy: -47.140
bonds (distance) P-C4' energy: -54.131
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -34.459
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -629.695642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.695642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.695642 (E_RNA)
where:
Base-Base interactions energy: -395.550
where: short stacking energy: -156.206
Base-Backbone interact. energy: -0.789
local terms energy: -233.356108
where:
bonds (distance) C4'-P energy: -53.507
bonds (distance) P-C4' energy: -63.280
flat angles C4'-P-C4' energy: -57.553
flat angles P-C4'-P energy: -34.071
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -268.259336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.259336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.259336 (E_RNA)
where:
Base-Base interactions energy: -103.709
where: short stacking energy: -74.184
Base-Backbone interact. energy: 0.953
local terms energy: -165.503434
where:
bonds (distance) C4'-P energy: -40.070
bonds (distance) P-C4' energy: -52.979
flat angles C4'-P-C4' energy: -53.589
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: 4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1098.702906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.702906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.702906 (E_RNA)
where:
Base-Base interactions energy: -755.761
where: short stacking energy: -334.368
Base-Backbone interact. energy: -2.132
local terms energy: -340.809643
where:
bonds (distance) C4'-P energy: -61.660
bonds (distance) P-C4' energy: -62.036
flat angles C4'-P-C4' energy: -69.380
flat angles P-C4'-P energy: -53.389
tors. eta vs tors. theta energy: -94.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1051.972504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.972504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.972504 (E_RNA)
where:
Base-Base interactions energy: -755.043
where: short stacking energy: -284.115
Base-Backbone interact. energy: -2.560
local terms energy: -294.369527
where:
bonds (distance) C4'-P energy: -60.259
bonds (distance) P-C4' energy: -64.018
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -37.444
tors. eta vs tors. theta energy: -73.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1017.986422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.986422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.986422 (E_RNA)
where:
Base-Base interactions energy: -708.874
where: short stacking energy: -316.696
Base-Backbone interact. energy: 0.021
local terms energy: -309.133015
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -56.962
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -43.002
tors. eta vs tors. theta energy: -93.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1031.518811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.518811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.518811 (E_RNA)
where:
Base-Base interactions energy: -723.060
where: short stacking energy: -302.906
Base-Backbone interact. energy: -0.174
local terms energy: -308.284645
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -70.952
flat angles P-C4'-P energy: -40.022
tors. eta vs tors. theta energy: -94.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -960.596487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.596487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.596487 (E_RNA)
where:
Base-Base interactions energy: -675.307
where: short stacking energy: -309.853
Base-Backbone interact. energy: -2.273
local terms energy: -283.016675
where:
bonds (distance) C4'-P energy: -51.889
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -84.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -923.714915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.714915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.714915 (E_RNA)
where:
Base-Base interactions energy: -649.332
where: short stacking energy: -281.175
Base-Backbone interact. energy: -1.489
local terms energy: -272.893526
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -80.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -863.207705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.207705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.207705 (E_RNA)
where:
Base-Base interactions energy: -598.051
where: short stacking energy: -278.818
Base-Backbone interact. energy: -2.222
local terms energy: -262.935079
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -70.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -703.164208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.164208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.164208 (E_RNA)
where:
Base-Base interactions energy: -470.139
where: short stacking energy: -208.070
Base-Backbone interact. energy: -1.694
local terms energy: -231.331282
where:
bonds (distance) C4'-P energy: -59.558
bonds (distance) P-C4' energy: -54.501
flat angles C4'-P-C4' energy: -49.974
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: -37.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -593.817534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.817534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.817534 (E_RNA)
where:
Base-Base interactions energy: -410.928
where: short stacking energy: -186.340
Base-Backbone interact. energy: -0.149
local terms energy: -182.740226
where:
bonds (distance) C4'-P energy: -43.973
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -46.634
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -272.397221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.397221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.397221 (E_RNA)
where:
Base-Base interactions energy: -109.698
where: short stacking energy: -79.699
Base-Backbone interact. energy: 0.178
local terms energy: -162.876758
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -56.138
flat angles C4'-P-C4' energy: -42.845
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: 1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1094.654479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.654479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.654479 (E_RNA)
where:
Base-Base interactions energy: -751.236
where: short stacking energy: -332.265
Base-Backbone interact. energy: -2.120
local terms energy: -341.298801
where:
bonds (distance) C4'-P energy: -67.689
bonds (distance) P-C4' energy: -57.283
flat angles C4'-P-C4' energy: -70.704
flat angles P-C4'-P energy: -51.544
tors. eta vs tors. theta energy: -94.079
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: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1087.887967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.887967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.887967 (E_RNA)
where:
Base-Base interactions energy: -759.652
where: short stacking energy: -310.555
Base-Backbone interact. energy: -1.519
local terms energy: -326.716655
where:
bonds (distance) C4'-P energy: -56.517
bonds (distance) P-C4' energy: -62.716
flat angles C4'-P-C4' energy: -70.896
flat angles P-C4'-P energy: -51.816
tors. eta vs tors. theta energy: -84.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1058.071376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.071376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.071376 (E_RNA)
where:
Base-Base interactions energy: -754.405
where: short stacking energy: -328.608
Base-Backbone interact. energy: -1.161
local terms energy: -302.505661
where:
bonds (distance) C4'-P energy: -57.304
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -61.472
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -92.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1005.110866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.110866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.110866 (E_RNA)
where:
Base-Base interactions energy: -684.217
where: short stacking energy: -313.245
Base-Backbone interact. energy: -2.331
local terms energy: -318.563252
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -52.956
flat angles C4'-P-C4' energy: -64.123
flat angles P-C4'-P energy: -52.157
tors. eta vs tors. theta energy: -99.226
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: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -983.118452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.118452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.118452 (E_RNA)
where:
Base-Base interactions energy: -667.351
where: short stacking energy: -307.164
Base-Backbone interact. energy: -0.076
local terms energy: -315.692007
where:
bonds (distance) C4'-P energy: -52.790
bonds (distance) P-C4' energy: -69.721
flat angles C4'-P-C4' energy: -61.578
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: -85.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -897.623825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.623825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.623825 (E_RNA)
where:
Base-Base interactions energy: -614.068
where: short stacking energy: -270.736
Base-Backbone interact. energy: -0.956
local terms energy: -282.600187
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -58.293
flat angles C4'-P-C4' energy: -52.146
flat angles P-C4'-P energy: -41.208
tors. eta vs tors. theta energy: -78.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -823.919427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.919427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.919427 (E_RNA)
where:
Base-Base interactions energy: -567.387
where: short stacking energy: -230.550
Base-Backbone interact. energy: 0.066
local terms energy: -256.598445
where:
bonds (distance) C4'-P energy: -59.692
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -46.491
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -66.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -739.820780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.820780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.820780 (E_RNA)
where:
Base-Base interactions energy: -522.231
where: short stacking energy: -224.592
Base-Backbone interact. energy: -0.144
local terms energy: -217.445755
where:
bonds (distance) C4'-P energy: -55.104
bonds (distance) P-C4' energy: -45.753
flat angles C4'-P-C4' energy: -49.355
flat angles P-C4'-P energy: -31.872
tors. eta vs tors. theta energy: -35.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -631.607423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.607423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.607423 (E_RNA)
where:
Base-Base interactions energy: -411.846
where: short stacking energy: -193.300
Base-Backbone interact. energy: -0.579
local terms energy: -219.181960
where:
bonds (distance) C4'-P energy: -52.682
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -47.872
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -32.953
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: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -261.064708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.064708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.064708 (E_RNA)
where:
Base-Base interactions energy: -107.372
where: short stacking energy: -83.891
Base-Backbone interact. energy: 0.075
local terms energy: -153.767768
where:
bonds (distance) C4'-P energy: -54.187
bonds (distance) P-C4' energy: -41.225
flat angles C4'-P-C4' energy: -43.913
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: 11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1090.533337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.533337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.533337 (E_RNA)
where:
Base-Base interactions energy: -751.216
where: short stacking energy: -305.248
Base-Backbone interact. energy: -2.105
local terms energy: -337.212269
where:
bonds (distance) C4'-P energy: -62.842
bonds (distance) P-C4' energy: -67.015
flat angles C4'-P-C4' energy: -67.648
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -96.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1081.633444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.633444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.633444 (E_RNA)
where:
Base-Base interactions energy: -776.224
where: short stacking energy: -313.566
Base-Backbone interact. energy: -0.851
local terms energy: -304.558483
where:
bonds (distance) C4'-P energy: -54.288
bonds (distance) P-C4' energy: -55.998
flat angles C4'-P-C4' energy: -68.588
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -85.905
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: 235
Temperature: 1.000000
Total energy: -1030.575388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.575388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.575388 (E_RNA)
where:
Base-Base interactions energy: -717.749
where: short stacking energy: -312.174
Base-Backbone interact. energy: -2.411
local terms energy: -310.415957
where:
bonds (distance) C4'-P energy: -59.016
bonds (distance) P-C4' energy: -60.067
flat angles C4'-P-C4' energy: -62.737
flat angles P-C4'-P energy: -41.132
tors. eta vs tors. theta energy: -87.465
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: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1002.937550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.937550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.937550 (E_RNA)
where:
Base-Base interactions energy: -687.349
where: short stacking energy: -304.805
Base-Backbone interact. energy: -0.599
local terms energy: -314.989544
where:
bonds (distance) C4'-P energy: -57.373
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -60.207
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -89.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -984.424102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.424102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.424102 (E_RNA)
where:
Base-Base interactions energy: -671.659
where: short stacking energy: -302.048
Base-Backbone interact. energy: -0.363
local terms energy: -312.402123
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -68.134
flat angles P-C4'-P energy: -35.584
tors. eta vs tors. theta energy: -94.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -910.106554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.106554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.106554 (E_RNA)
where:
Base-Base interactions energy: -623.066
where: short stacking energy: -269.602
Base-Backbone interact. energy: 0.227
local terms energy: -287.266831
where:
bonds (distance) C4'-P energy: -48.514
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -74.020
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -76.191
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: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -837.861355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.861355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.861355 (E_RNA)
where:
Base-Base interactions energy: -573.899
where: short stacking energy: -253.718
Base-Backbone interact. energy: -0.405
local terms energy: -263.557612
where:
bonds (distance) C4'-P energy: -50.243
bonds (distance) P-C4' energy: -60.228
flat angles C4'-P-C4' energy: -57.143
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -62.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -683.817608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.817608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.817608 (E_RNA)
where:
Base-Base interactions energy: -435.700
where: short stacking energy: -205.096
Base-Backbone interact. energy: 0.561
local terms energy: -248.679289
where:
bonds (distance) C4'-P energy: -52.263
bonds (distance) P-C4' energy: -59.899
flat angles C4'-P-C4' energy: -60.073
flat angles P-C4'-P energy: -36.551
tors. eta vs tors. theta energy: -39.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -713.249740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.249740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.249740 (E_RNA)
where:
Base-Base interactions energy: -486.289
where: short stacking energy: -210.640
Base-Backbone interact. energy: -0.338
local terms energy: -226.622854
where:
bonds (distance) C4'-P energy: -47.092
bonds (distance) P-C4' energy: -50.449
flat angles C4'-P-C4' energy: -62.452
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -49.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -270.207646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.207646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.207646 (E_RNA)
where:
Base-Base interactions energy: -110.602
where: short stacking energy: -85.644
Base-Backbone interact. energy: 1.982
local terms energy: -161.587508
where:
bonds (distance) C4'-P energy: -44.320
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1101.927347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.927347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.927347 (E_RNA)
where:
Base-Base interactions energy: -765.690
where: short stacking energy: -344.427
Base-Backbone interact. energy: -1.985
local terms energy: -334.252307
where:
bonds (distance) C4'-P energy: -63.193
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -68.054
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -98.510
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: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1037.718681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.718681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.718681 (E_RNA)
where:
Base-Base interactions energy: -735.389
where: short stacking energy: -301.553
Base-Backbone interact. energy: -2.195
local terms energy: -300.135348
where:
bonds (distance) C4'-P energy: -51.702
bonds (distance) P-C4' energy: -61.383
flat angles C4'-P-C4' energy: -63.812
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -76.687
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: 236
Temperature: 1.000000
Total energy: -1038.937516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.937516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.937516 (E_RNA)
where:
Base-Base interactions energy: -722.664
where: short stacking energy: -330.076
Base-Backbone interact. energy: -1.764
local terms energy: -314.510185
where:
bonds (distance) C4'-P energy: -55.127
bonds (distance) P-C4' energy: -61.235
flat angles C4'-P-C4' energy: -64.554
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -91.575
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: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1021.594089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.594089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.594089 (E_RNA)
where:
Base-Base interactions energy: -703.139
where: short stacking energy: -316.591
Base-Backbone interact. energy: -0.135
local terms energy: -318.319937
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -93.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -897.569631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.569631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.569631 (E_RNA)
where:
Base-Base interactions energy: -601.186
where: short stacking energy: -249.650
Base-Backbone interact. energy: -3.677
local terms energy: -292.705892
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -53.741
flat angles C4'-P-C4' energy: -62.375
flat angles P-C4'-P energy: -47.922
tors. eta vs tors. theta energy: -71.724
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: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -892.891081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.891081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.891081 (E_RNA)
where:
Base-Base interactions energy: -623.432
where: short stacking energy: -275.405
Base-Backbone interact. energy: 0.623
local terms energy: -270.082232
where:
bonds (distance) C4'-P energy: -46.212
bonds (distance) P-C4' energy: -57.107
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -77.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -858.007343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.007343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.007343 (E_RNA)
where:
Base-Base interactions energy: -562.670
where: short stacking energy: -257.164
Base-Backbone interact. energy: 0.102
local terms energy: -295.439166
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -60.909
flat angles P-C4'-P energy: -48.733
tors. eta vs tors. theta energy: -73.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -730.709747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.709747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.709747 (E_RNA)
where:
Base-Base interactions energy: -480.882
where: short stacking energy: -218.901
Base-Backbone interact. energy: 1.390
local terms energy: -251.217701
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -66.167
flat angles C4'-P-C4' energy: -60.473
flat angles P-C4'-P energy: -30.501
tors. eta vs tors. theta energy: -46.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -695.889486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.889486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.889486 (E_RNA)
where:
Base-Base interactions energy: -471.242
where: short stacking energy: -223.842
Base-Backbone interact. energy: -0.041
local terms energy: -224.606593
where:
bonds (distance) C4'-P energy: -45.951
bonds (distance) P-C4' energy: -50.679
flat angles C4'-P-C4' energy: -51.609
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -48.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -257.810978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.810978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.810978 (E_RNA)
where:
Base-Base interactions energy: -96.945
where: short stacking energy: -68.359
Base-Backbone interact. energy: -1.007
local terms energy: -159.858266
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -50.885
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: 9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1116.474327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.474327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.474327 (E_RNA)
where:
Base-Base interactions energy: -763.508
where: short stacking energy: -322.023
Base-Backbone interact. energy: -1.842
local terms energy: -351.124066
where:
bonds (distance) C4'-P energy: -67.416
bonds (distance) P-C4' energy: -62.393
flat angles C4'-P-C4' energy: -74.507
flat angles P-C4'-P energy: -49.584
tors. eta vs tors. theta energy: -97.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1038.651915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.651915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.651915 (E_RNA)
where:
Base-Base interactions energy: -723.825
where: short stacking energy: -311.804
Base-Backbone interact. energy: -0.978
local terms energy: -313.849295
where:
bonds (distance) C4'-P energy: -59.493
bonds (distance) P-C4' energy: -60.255
flat angles C4'-P-C4' energy: -61.503
flat angles P-C4'-P energy: -41.967
tors. eta vs tors. theta energy: -90.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1032.848394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.848394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.848394 (E_RNA)
where:
Base-Base interactions energy: -722.096
where: short stacking energy: -286.154
Base-Backbone interact. energy: -2.345
local terms energy: -308.407708
where:
bonds (distance) C4'-P energy: -54.407
bonds (distance) P-C4' energy: -68.459
flat angles C4'-P-C4' energy: -65.324
flat angles P-C4'-P energy: -48.432
tors. eta vs tors. theta energy: -71.786
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: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1011.540366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.540366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.540366 (E_RNA)
where:
Base-Base interactions energy: -698.290
where: short stacking energy: -322.859
Base-Backbone interact. energy: -0.241
local terms energy: -313.008738
where:
bonds (distance) C4'-P energy: -59.406
bonds (distance) P-C4' energy: -56.656
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -44.516
tors. eta vs tors. theta energy: -86.059
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: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -916.857378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.857378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.857378 (E_RNA)
where:
Base-Base interactions energy: -624.397
where: short stacking energy: -277.094
Base-Backbone interact. energy: -2.854
local terms energy: -289.606413
where:
bonds (distance) C4'-P energy: -52.503
bonds (distance) P-C4' energy: -61.642
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -36.234
tors. eta vs tors. theta energy: -77.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -886.235735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.235735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.235735 (E_RNA)
where:
Base-Base interactions energy: -613.252
where: short stacking energy: -259.284
Base-Backbone interact. energy: 5.304
local terms energy: -278.286938
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -66.724
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -64.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -836.133431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.133431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.133431 (E_RNA)
where:
Base-Base interactions energy: -576.429
where: short stacking energy: -237.144
Base-Backbone interact. energy: 0.013
local terms energy: -259.717733
where:
bonds (distance) C4'-P energy: -46.872
bonds (distance) P-C4' energy: -64.514
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -25.897
tors. eta vs tors. theta energy: -65.225
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: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -709.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.266447 (E_RNA)
where:
Base-Base interactions energy: -484.265
where: short stacking energy: -222.732
Base-Backbone interact. energy: 1.066
local terms energy: -226.067245
where:
bonds (distance) C4'-P energy: -42.585
bonds (distance) P-C4' energy: -46.144
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -51.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -707.169367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.169367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.169367 (E_RNA)
where:
Base-Base interactions energy: -466.036
where: short stacking energy: -199.412
Base-Backbone interact. energy: -1.231
local terms energy: -239.903177
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -63.839
flat angles P-C4'-P energy: -35.061
tors. eta vs tors. theta energy: -42.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -265.957311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.957311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.957311 (E_RNA)
where:
Base-Base interactions energy: -86.845
where: short stacking energy: -74.629
Base-Backbone interact. energy: 0.169
local terms energy: -179.281100
where:
bonds (distance) C4'-P energy: -53.250
bonds (distance) P-C4' energy: -60.599
flat angles C4'-P-C4' energy: -43.144
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1099.699150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.699150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.699150 (E_RNA)
where:
Base-Base interactions energy: -766.469
where: short stacking energy: -331.473
Base-Backbone interact. energy: -1.145
local terms energy: -332.085371
where:
bonds (distance) C4'-P energy: -64.489
bonds (distance) P-C4' energy: -67.143
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -46.771
tors. eta vs tors. theta energy: -91.675
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: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1065.960642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.960642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.960642 (E_RNA)
where:
Base-Base interactions energy: -750.505
where: short stacking energy: -347.638
Base-Backbone interact. energy: -1.381
local terms energy: -314.074512
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -71.984
flat angles P-C4'-P energy: -38.016
tors. eta vs tors. theta energy: -93.720
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: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1051.204364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.204364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.204364 (E_RNA)
where:
Base-Base interactions energy: -726.654
where: short stacking energy: -301.519
Base-Backbone interact. energy: -1.783
local terms energy: -322.767759
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -73.233
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -89.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1005.240302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.240302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.240302 (E_RNA)
where:
Base-Base interactions energy: -685.057
where: short stacking energy: -314.147
Base-Backbone interact. energy: 0.404
local terms energy: -320.587101
where:
bonds (distance) C4'-P energy: -55.271
bonds (distance) P-C4' energy: -55.127
flat angles C4'-P-C4' energy: -72.512
flat angles P-C4'-P energy: -45.526
tors. eta vs tors. theta energy: -92.151
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: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -937.514750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.514750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.514750 (E_RNA)
where:
Base-Base interactions energy: -621.354
where: short stacking energy: -285.161
Base-Backbone interact. energy: 2.703
local terms energy: -318.863548
where:
bonds (distance) C4'-P energy: -68.231
bonds (distance) P-C4' energy: -64.865
flat angles C4'-P-C4' energy: -59.888
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -86.888
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: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -858.644741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.644741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.644741 (E_RNA)
where:
Base-Base interactions energy: -579.083
where: short stacking energy: -257.920
Base-Backbone interact. energy: -1.270
local terms energy: -278.291272
where:
bonds (distance) C4'-P energy: -49.415
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -38.547
tors. eta vs tors. theta energy: -75.680
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: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -789.940068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.940068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.940068 (E_RNA)
where:
Base-Base interactions energy: -526.832
where: short stacking energy: -228.471
Base-Backbone interact. energy: -1.057
local terms energy: -262.050586
where:
bonds (distance) C4'-P energy: -45.450
bonds (distance) P-C4' energy: -64.103
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -53.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -710.609048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.609048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.609048 (E_RNA)
where:
Base-Base interactions energy: -462.612
where: short stacking energy: -203.731
Base-Backbone interact. energy: -1.984
local terms energy: -246.012976
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -56.180
flat angles C4'-P-C4' energy: -66.973
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -45.645
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: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -720.532142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.532142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.532142 (E_RNA)
where:
Base-Base interactions energy: -467.888
where: short stacking energy: -212.696
Base-Backbone interact. energy: -1.419
local terms energy: -251.224820
where:
bonds (distance) C4'-P energy: -51.119
bonds (distance) P-C4' energy: -48.573
flat angles C4'-P-C4' energy: -59.812
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -56.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -292.092707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.092707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.092707 (E_RNA)
where:
Base-Base interactions energy: -128.296
where: short stacking energy: -83.872
Base-Backbone interact. energy: 5.411
local terms energy: -169.208198
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -50.519
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1098.007337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.007337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.007337 (E_RNA)
where:
Base-Base interactions energy: -770.915
where: short stacking energy: -334.958
Base-Backbone interact. energy: -1.942
local terms energy: -325.150358
where:
bonds (distance) C4'-P energy: -52.583
bonds (distance) P-C4' energy: -53.488
flat angles C4'-P-C4' energy: -69.550
flat angles P-C4'-P energy: -54.011
tors. eta vs tors. theta energy: -95.519
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: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1085.079856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.079856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.079856 (E_RNA)
where:
Base-Base interactions energy: -743.187
where: short stacking energy: -331.856
Base-Backbone interact. energy: -1.226
local terms energy: -340.667528
where:
bonds (distance) C4'-P energy: -61.287
bonds (distance) P-C4' energy: -67.365
flat angles C4'-P-C4' energy: -68.101
flat angles P-C4'-P energy: -46.261
tors. eta vs tors. theta energy: -97.654
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: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1057.838751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.838751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.838751 (E_RNA)
where:
Base-Base interactions energy: -748.055
where: short stacking energy: -302.749
Base-Backbone interact. energy: 0.508
local terms energy: -310.291822
where:
bonds (distance) C4'-P energy: -59.744
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -60.452
flat angles P-C4'-P energy: -48.410
tors. eta vs tors. theta energy: -82.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1027.510724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.510724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.510724 (E_RNA)
where:
Base-Base interactions energy: -713.009
where: short stacking energy: -319.571
Base-Backbone interact. energy: -0.798
local terms energy: -313.703572
where:
bonds (distance) C4'-P energy: -62.886
bonds (distance) P-C4' energy: -58.566
flat angles C4'-P-C4' energy: -59.794
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: -97.375
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: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -926.597665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.597665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.597665 (E_RNA)
where:
Base-Base interactions energy: -631.059
where: short stacking energy: -279.668
Base-Backbone interact. energy: -0.252
local terms energy: -295.286217
where:
bonds (distance) C4'-P energy: -57.092
bonds (distance) P-C4' energy: -58.314
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -73.711
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: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -830.004570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.004570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.004570 (E_RNA)
where:
Base-Base interactions energy: -544.973
where: short stacking energy: -237.369
Base-Backbone interact. energy: -1.996
local terms energy: -283.036543
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -61.810
flat angles C4'-P-C4' energy: -64.138
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -58.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -859.070394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.070394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.070394 (E_RNA)
where:
Base-Base interactions energy: -583.918
where: short stacking energy: -261.822
Base-Backbone interact. energy: -2.028
local terms energy: -273.123748
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -57.425
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -73.875
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: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -760.793443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.793443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.793443 (E_RNA)
where:
Base-Base interactions energy: -511.858
where: short stacking energy: -216.647
Base-Backbone interact. energy: -1.455
local terms energy: -247.480975
where:
bonds (distance) C4'-P energy: -43.936
bonds (distance) P-C4' energy: -63.566
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -29.797
tors. eta vs tors. theta energy: -56.372
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: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -672.375769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.375769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.375769 (E_RNA)
where:
Base-Base interactions energy: -439.802
where: short stacking energy: -195.060
Base-Backbone interact. energy: 0.114
local terms energy: -232.687519
where:
bonds (distance) C4'-P energy: -59.023
bonds (distance) P-C4' energy: -47.136
flat angles C4'-P-C4' energy: -52.172
flat angles P-C4'-P energy: -23.351
tors. eta vs tors. theta energy: -51.006
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: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -301.175104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.175104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.175104 (E_RNA)
where:
Base-Base interactions energy: -134.419
where: short stacking energy: -86.865
Base-Backbone interact. energy: -1.132
local terms energy: -165.623135
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: 3.119
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: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1108.746024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.746024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.746024 (E_RNA)
where:
Base-Base interactions energy: -765.205
where: short stacking energy: -340.346
Base-Backbone interact. energy: 0.866
local terms energy: -344.407154
where:
bonds (distance) C4'-P energy: -65.593
bonds (distance) P-C4' energy: -62.941
flat angles C4'-P-C4' energy: -70.577
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -98.667
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: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1098.124252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.124252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.124252 (E_RNA)
where:
Base-Base interactions energy: -762.939
where: short stacking energy: -318.629
Base-Backbone interact. energy: -2.579
local terms energy: -332.606785
where:
bonds (distance) C4'-P energy: -61.809
bonds (distance) P-C4' energy: -60.387
flat angles C4'-P-C4' energy: -67.099
flat angles P-C4'-P energy: -49.830
tors. eta vs tors. theta energy: -93.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1043.856933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.856933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.856933 (E_RNA)
where:
Base-Base interactions energy: -737.131
where: short stacking energy: -303.559
Base-Backbone interact. energy: 1.407
local terms energy: -308.133188
where:
bonds (distance) C4'-P energy: -59.944
bonds (distance) P-C4' energy: -52.025
flat angles C4'-P-C4' energy: -66.061
flat angles P-C4'-P energy: -49.900
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: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -995.333591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.333591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.333591 (E_RNA)
where:
Base-Base interactions energy: -688.040
where: short stacking energy: -311.282
Base-Backbone interact. energy: -0.184
local terms energy: -307.109100
where:
bonds (distance) C4'-P energy: -62.570
bonds (distance) P-C4' energy: -54.179
flat angles C4'-P-C4' energy: -65.402
flat angles P-C4'-P energy: -42.166
tors. eta vs tors. theta energy: -82.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -896.361871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.361871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.361871 (E_RNA)
where:
Base-Base interactions energy: -595.142
where: short stacking energy: -284.664
Base-Backbone interact. energy: -1.180
local terms energy: -300.039907
where:
bonds (distance) C4'-P energy: -62.253
bonds (distance) P-C4' energy: -53.400
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -42.102
tors. eta vs tors. theta energy: -79.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -895.268106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.268106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.268106 (E_RNA)
where:
Base-Base interactions energy: -610.680
where: short stacking energy: -285.570
Base-Backbone interact. energy: 0.846
local terms energy: -285.433878
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -60.999
flat angles P-C4'-P energy: -38.456
tors. eta vs tors. theta energy: -80.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -854.119501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.119501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.119501 (E_RNA)
where:
Base-Base interactions energy: -578.494
where: short stacking energy: -251.896
Base-Backbone interact. energy: -0.719
local terms energy: -274.906339
where:
bonds (distance) C4'-P energy: -54.379
bonds (distance) P-C4' energy: -52.276
flat angles C4'-P-C4' energy: -59.464
flat angles P-C4'-P energy: -40.844
tors. eta vs tors. theta energy: -67.944
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: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -771.302658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.302658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.302658 (E_RNA)
where:
Base-Base interactions energy: -518.410
where: short stacking energy: -236.209
Base-Backbone interact. energy: 0.554
local terms energy: -253.446543
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -57.950
flat angles P-C4'-P energy: -38.289
tors. eta vs tors. theta energy: -57.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -716.180670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.180670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.180670 (E_RNA)
where:
Base-Base interactions energy: -485.984
where: short stacking energy: -207.131
Base-Backbone interact. energy: -3.054
local terms energy: -227.142823
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -52.322
flat angles P-C4'-P energy: -35.240
tors. eta vs tors. theta energy: -59.150
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: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -281.546329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.546329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.546329 (E_RNA)
where:
Base-Base interactions energy: -104.400
where: short stacking energy: -76.073
Base-Backbone interact. energy: -1.177
local terms energy: -175.969194
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -49.048
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: 2.614
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: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1104.304134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.304134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.304134 (E_RNA)
where:
Base-Base interactions energy: -776.922
where: short stacking energy: -350.142
Base-Backbone interact. energy: -2.128
local terms energy: -325.254436
where:
bonds (distance) C4'-P energy: -61.147
bonds (distance) P-C4' energy: -65.059
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -47.980
tors. eta vs tors. theta energy: -93.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1105.077874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.077874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.077874 (E_RNA)
where:
Base-Base interactions energy: -761.777
where: short stacking energy: -333.839
Base-Backbone interact. energy: -2.284
local terms energy: -341.016809
where:
bonds (distance) C4'-P energy: -54.484
bonds (distance) P-C4' energy: -67.402
flat angles C4'-P-C4' energy: -72.203
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: -102.249
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: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1049.806739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.806739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.806739 (E_RNA)
where:
Base-Base interactions energy: -744.632
where: short stacking energy: -290.575
Base-Backbone interact. energy: -1.410
local terms energy: -303.764770
where:
bonds (distance) C4'-P energy: -52.941
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -66.671
flat angles P-C4'-P energy: -50.257
tors. eta vs tors. theta energy: -78.076
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: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1005.683473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.683473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.683473 (E_RNA)
where:
Base-Base interactions energy: -684.576
where: short stacking energy: -299.612
Base-Backbone interact. energy: -0.297
local terms energy: -320.810733
where:
bonds (distance) C4'-P energy: -62.990
bonds (distance) P-C4' energy: -57.754
flat angles C4'-P-C4' energy: -66.375
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -90.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -875.515965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.515965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.515965 (E_RNA)
where:
Base-Base interactions energy: -588.323
where: short stacking energy: -272.711
Base-Backbone interact. energy: -1.402
local terms energy: -285.791467
where:
bonds (distance) C4'-P energy: -53.586
bonds (distance) P-C4' energy: -63.522
flat angles C4'-P-C4' energy: -60.278
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -66.080
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: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -904.325814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.325814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.325814 (E_RNA)
where:
Base-Base interactions energy: -609.709
where: short stacking energy: -272.671
Base-Backbone interact. energy: -1.478
local terms energy: -293.139081
where:
bonds (distance) C4'-P energy: -53.937
bonds (distance) P-C4' energy: -50.866
flat angles C4'-P-C4' energy: -73.064
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -75.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -835.921059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.921059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.921059 (E_RNA)
where:
Base-Base interactions energy: -573.886
where: short stacking energy: -241.964
Base-Backbone interact. energy: -0.428
local terms energy: -261.606646
where:
bonds (distance) C4'-P energy: -49.203
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -35.508
tors. eta vs tors. theta energy: -62.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -708.805853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.805853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.805853 (E_RNA)
where:
Base-Base interactions energy: -476.513
where: short stacking energy: -217.470
Base-Backbone interact. energy: -1.325
local terms energy: -230.967619
where:
bonds (distance) C4'-P energy: -48.498
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -34.801
tors. eta vs tors. theta energy: -50.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -714.168230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.168230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.168230 (E_RNA)
where:
Base-Base interactions energy: -483.652
where: short stacking energy: -222.465
Base-Backbone interact. energy: -0.123
local terms energy: -230.393487
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -51.873
flat angles C4'-P-C4' energy: -47.356
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: -51.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -279.306443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.306443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.306443 (E_RNA)
where:
Base-Base interactions energy: -105.124
where: short stacking energy: -80.106
Base-Backbone interact. energy: -0.437
local terms energy: -173.745347
where:
bonds (distance) C4'-P energy: -56.632
bonds (distance) P-C4' energy: -55.835
flat angles C4'-P-C4' energy: -41.535
flat angles P-C4'-P energy: -30.599
tors. eta vs tors. theta energy: 10.857
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: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1117.299033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.299033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.299033 (E_RNA)
where:
Base-Base interactions energy: -775.855
where: short stacking energy: -344.260
Base-Backbone interact. energy: 0.752
local terms energy: -342.196212
where:
bonds (distance) C4'-P energy: -61.293
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -68.130
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -104.776
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: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1076.872271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.872271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.872271 (E_RNA)
where:
Base-Base interactions energy: -756.042
where: short stacking energy: -331.185
Base-Backbone interact. energy: -1.428
local terms energy: -319.402737
where:
bonds (distance) C4'-P energy: -59.125
bonds (distance) P-C4' energy: -56.976
flat angles C4'-P-C4' energy: -70.106
flat angles P-C4'-P energy: -42.689
tors. eta vs tors. theta energy: -90.506
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: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1045.851418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.851418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.851418 (E_RNA)
where:
Base-Base interactions energy: -739.256
where: short stacking energy: -304.865
Base-Backbone interact. energy: -2.481
local terms energy: -304.114829
where:
bonds (distance) C4'-P energy: -54.834
bonds (distance) P-C4' energy: -61.050
flat angles C4'-P-C4' energy: -64.899
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -77.685
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: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1002.987714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.987714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.987714 (E_RNA)
where:
Base-Base interactions energy: -687.300
where: short stacking energy: -291.745
Base-Backbone interact. energy: -2.692
local terms energy: -312.995078
where:
bonds (distance) C4'-P energy: -54.580
bonds (distance) P-C4' energy: -62.252
flat angles C4'-P-C4' energy: -65.521
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -89.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -919.700353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.700353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.700353 (E_RNA)
where:
Base-Base interactions energy: -636.906
where: short stacking energy: -289.971
Base-Backbone interact. energy: -2.134
local terms energy: -280.660839
where:
bonds (distance) C4'-P energy: -50.918
bonds (distance) P-C4' energy: -49.411
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -82.050
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: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -847.109947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.109947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.109947 (E_RNA)
where:
Base-Base interactions energy: -582.833
where: short stacking energy: -248.366
Base-Backbone interact. energy: -1.409
local terms energy: -262.867873
where:
bonds (distance) C4'-P energy: -55.982
bonds (distance) P-C4' energy: -53.381
flat angles C4'-P-C4' energy: -59.308
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -61.807
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: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -802.684884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.684884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.684884 (E_RNA)
where:
Base-Base interactions energy: -546.578
where: short stacking energy: -246.120
Base-Backbone interact. energy: 3.164
local terms energy: -259.271447
where:
bonds (distance) C4'-P energy: -45.945
bonds (distance) P-C4' energy: -54.325
flat angles C4'-P-C4' energy: -62.561
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -58.140
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -714.959740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.959740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.959740 (E_RNA)
where:
Base-Base interactions energy: -496.110
where: short stacking energy: -204.385
Base-Backbone interact. energy: -0.546
local terms energy: -218.304370
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -53.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -734.986899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.986899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.986899 (E_RNA)
where:
Base-Base interactions energy: -485.042
where: short stacking energy: -222.271
Base-Backbone interact. energy: -1.289
local terms energy: -248.655673
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -46.323
flat angles C4'-P-C4' energy: -68.784
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -51.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -258.842347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.842347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.842347 (E_RNA)
where:
Base-Base interactions energy: -106.008
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.514
local terms energy: -152.320127
where:
bonds (distance) C4'-P energy: -52.918
bonds (distance) P-C4' energy: -54.998
flat angles C4'-P-C4' energy: -40.351
flat angles P-C4'-P energy: -30.050
tors. eta vs tors. theta energy: 25.996
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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1100.309818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.309818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.309818 (E_RNA)
where:
Base-Base interactions energy: -755.847
where: short stacking energy: -328.276
Base-Backbone interact. energy: -1.619
local terms energy: -342.843562
where:
bonds (distance) C4'-P energy: -63.754
bonds (distance) P-C4' energy: -61.704
flat angles C4'-P-C4' energy: -71.163
flat angles P-C4'-P energy: -50.469
tors. eta vs tors. theta energy: -95.754
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: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1066.723437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.723437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.723437 (E_RNA)
where:
Base-Base interactions energy: -743.796
where: short stacking energy: -324.833
Base-Backbone interact. energy: 1.260
local terms energy: -324.186983
where:
bonds (distance) C4'-P energy: -57.389
bonds (distance) P-C4' energy: -55.269
flat angles C4'-P-C4' energy: -69.264
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: -95.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1030.738790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.738790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.738790 (E_RNA)
where:
Base-Base interactions energy: -739.096
where: short stacking energy: -301.729
Base-Backbone interact. energy: -2.124
local terms energy: -289.518912
where:
bonds (distance) C4'-P energy: -53.285
bonds (distance) P-C4' energy: -57.480
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -76.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -963.515027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.515027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.515027 (E_RNA)
where:
Base-Base interactions energy: -655.088
where: short stacking energy: -284.636
Base-Backbone interact. energy: -2.675
local terms energy: -305.752015
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -60.831
flat angles C4'-P-C4' energy: -62.113
flat angles P-C4'-P energy: -47.440
tors. eta vs tors. theta energy: -79.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -981.274163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.274163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.274163 (E_RNA)
where:
Base-Base interactions energy: -674.567
where: short stacking energy: -289.436
Base-Backbone interact. energy: -1.841
local terms energy: -304.865727
where:
bonds (distance) C4'-P energy: -52.813
bonds (distance) P-C4' energy: -60.266
flat angles C4'-P-C4' energy: -64.068
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -86.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -858.778863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.778863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.778863 (E_RNA)
where:
Base-Base interactions energy: -607.658
where: short stacking energy: -246.476
Base-Backbone interact. energy: 1.692
local terms energy: -252.813212
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -60.677
flat angles C4'-P-C4' energy: -53.645
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -60.737
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: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -824.151796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.151796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.151796 (E_RNA)
where:
Base-Base interactions energy: -558.579
where: short stacking energy: -245.444
Base-Backbone interact. energy: -1.213
local terms energy: -264.359976
where:
bonds (distance) C4'-P energy: -58.389
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -60.213
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: -67.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -727.801277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.801277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.801277 (E_RNA)
where:
Base-Base interactions energy: -494.438
where: short stacking energy: -224.509
Base-Backbone interact. energy: -0.731
local terms energy: -232.631454
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -49.567
flat angles C4'-P-C4' energy: -45.733
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -54.439
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: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -666.522106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.522106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.522106 (E_RNA)
where:
Base-Base interactions energy: -456.667
where: short stacking energy: -199.979
Base-Backbone interact. energy: -0.033
local terms energy: -209.822282
where:
bonds (distance) C4'-P energy: -43.954
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -48.246
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -321.394765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.394765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.394765 (E_RNA)
where:
Base-Base interactions energy: -154.457
where: short stacking energy: -80.301
Base-Backbone interact. energy: -1.887
local terms energy: -165.050876
where:
bonds (distance) C4'-P energy: -57.169
bonds (distance) P-C4' energy: -60.459
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: 0.516
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: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1104.019400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.019400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.019400 (E_RNA)
where:
Base-Base interactions energy: -760.919
where: short stacking energy: -329.340
Base-Backbone interact. energy: -2.135
local terms energy: -340.965025
where:
bonds (distance) C4'-P energy: -58.710
bonds (distance) P-C4' energy: -73.083
flat angles C4'-P-C4' energy: -68.293
flat angles P-C4'-P energy: -46.206
tors. eta vs tors. theta energy: -94.674
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1082.432328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.432328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.432328 (E_RNA)
where:
Base-Base interactions energy: -776.311
where: short stacking energy: -347.746
Base-Backbone interact. energy: -1.177
local terms energy: -304.944325
where:
bonds (distance) C4'-P energy: -57.087
bonds (distance) P-C4' energy: -52.349
flat angles C4'-P-C4' energy: -64.888
flat angles P-C4'-P energy: -37.328
tors. eta vs tors. theta energy: -93.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1040.839408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.839408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.839408 (E_RNA)
where:
Base-Base interactions energy: -727.683
where: short stacking energy: -302.582
Base-Backbone interact. energy: -2.503
local terms energy: -310.653221
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -64.836
flat angles P-C4'-P energy: -45.069
tors. eta vs tors. theta energy: -76.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -965.751816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.751816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.751816 (E_RNA)
where:
Base-Base interactions energy: -656.818
where: short stacking energy: -292.458
Base-Backbone interact. energy: -2.645
local terms energy: -306.289100
where:
bonds (distance) C4'-P energy: -62.256
bonds (distance) P-C4' energy: -59.601
flat angles C4'-P-C4' energy: -58.431
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -83.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -971.498106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.498106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.498106 (E_RNA)
where:
Base-Base interactions energy: -660.858
where: short stacking energy: -283.083
Base-Backbone interact. energy: 0.957
local terms energy: -311.596165
where:
bonds (distance) C4'-P energy: -56.535
bonds (distance) P-C4' energy: -53.922
flat angles C4'-P-C4' energy: -67.255
flat angles P-C4'-P energy: -42.661
tors. eta vs tors. theta energy: -91.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -879.716324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.716324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.716324 (E_RNA)
where:
Base-Base interactions energy: -587.702
where: short stacking energy: -265.496
Base-Backbone interact. energy: 0.858
local terms energy: -292.873091
where:
bonds (distance) C4'-P energy: -54.936
bonds (distance) P-C4' energy: -57.027
flat angles C4'-P-C4' energy: -66.099
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -74.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -876.425339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.425339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.425339 (E_RNA)
where:
Base-Base interactions energy: -607.776
where: short stacking energy: -261.246
Base-Backbone interact. energy: -0.882
local terms energy: -267.767891
where:
bonds (distance) C4'-P energy: -54.401
bonds (distance) P-C4' energy: -47.799
flat angles C4'-P-C4' energy: -60.584
flat angles P-C4'-P energy: -38.675
tors. eta vs tors. theta energy: -66.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -743.824527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.824527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.824527 (E_RNA)
where:
Base-Base interactions energy: -495.835
where: short stacking energy: -231.042
Base-Backbone interact. energy: -1.891
local terms energy: -246.098659
where:
bonds (distance) C4'-P energy: -61.165
bonds (distance) P-C4' energy: -48.722
flat angles C4'-P-C4' energy: -48.622
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -58.754
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: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -690.354537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.354537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.354537 (E_RNA)
where:
Base-Base interactions energy: -473.216
where: short stacking energy: -208.517
Base-Backbone interact. energy: 0.769
local terms energy: -217.907959
where:
bonds (distance) C4'-P energy: -53.079
bonds (distance) P-C4' energy: -46.523
flat angles C4'-P-C4' energy: -53.496
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -37.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -314.746491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.746491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.746491 (E_RNA)
where:
Base-Base interactions energy: -151.338
where: short stacking energy: -91.046
Base-Backbone interact. energy: -0.931
local terms energy: -162.477425
where:
bonds (distance) C4'-P energy: -43.506
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -45.792
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1090.998361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.998361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.998361 (E_RNA)
where:
Base-Base interactions energy: -755.926
where: short stacking energy: -328.483
Base-Backbone interact. energy: -0.919
local terms energy: -334.153248
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -61.982
flat angles C4'-P-C4' energy: -68.281
flat angles P-C4'-P energy: -55.493
tors. eta vs tors. theta energy: -89.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1078.096469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.096469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.096469 (E_RNA)
where:
Base-Base interactions energy: -767.974
where: short stacking energy: -343.073
Base-Backbone interact. energy: 1.287
local terms energy: -311.409799
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -55.655
flat angles C4'-P-C4' energy: -68.987
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -95.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1031.883111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.883111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.883111 (E_RNA)
where:
Base-Base interactions energy: -734.986
where: short stacking energy: -294.676
Base-Backbone interact. energy: -1.195
local terms energy: -295.701760
where:
bonds (distance) C4'-P energy: -50.559
bonds (distance) P-C4' energy: -64.653
flat angles C4'-P-C4' energy: -66.066
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -75.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -968.544666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.544666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.544666 (E_RNA)
where:
Base-Base interactions energy: -665.350
where: short stacking energy: -286.540
Base-Backbone interact. energy: 1.363
local terms energy: -304.557055
where:
bonds (distance) C4'-P energy: -61.968
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -65.251
flat angles P-C4'-P energy: -49.811
tors. eta vs tors. theta energy: -71.213
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: 245
Temperature: 1.100000
Total energy: -953.554502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.554502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.554502 (E_RNA)
where:
Base-Base interactions energy: -649.451
where: short stacking energy: -296.945
Base-Backbone interact. energy: -0.900
local terms energy: -303.203820
where:
bonds (distance) C4'-P energy: -59.292
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -45.753
tors. eta vs tors. theta energy: -83.196
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: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -863.246262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.246262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.246262 (E_RNA)
where:
Base-Base interactions energy: -597.697
where: short stacking energy: -264.138
Base-Backbone interact. energy: 0.385
local terms energy: -265.934861
where:
bonds (distance) C4'-P energy: -45.510
bonds (distance) P-C4' energy: -55.581
flat angles C4'-P-C4' energy: -61.064
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -63.796
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: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -858.925893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.925893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.925893 (E_RNA)
where:
Base-Base interactions energy: -586.366
where: short stacking energy: -262.274
Base-Backbone interact. energy: -0.763
local terms energy: -271.796953
where:
bonds (distance) C4'-P energy: -59.254
bonds (distance) P-C4' energy: -51.576
flat angles C4'-P-C4' energy: -61.225
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: -65.476
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: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -728.544577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.544577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.544577 (E_RNA)
where:
Base-Base interactions energy: -482.398
where: short stacking energy: -204.754
Base-Backbone interact. energy: -1.766
local terms energy: -244.380152
where:
bonds (distance) C4'-P energy: -44.011
bonds (distance) P-C4' energy: -56.395
flat angles C4'-P-C4' energy: -54.232
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -53.290
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: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -685.815426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.815426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.815426 (E_RNA)
where:
Base-Base interactions energy: -445.645
where: short stacking energy: -190.502
Base-Backbone interact. energy: -1.132
local terms energy: -239.038331
where:
bonds (distance) C4'-P energy: -50.580
bonds (distance) P-C4' energy: -49.314
flat angles C4'-P-C4' energy: -57.531
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -49.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -321.846376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.846376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.846376 (E_RNA)
where:
Base-Base interactions energy: -156.476
where: short stacking energy: -76.390
Base-Backbone interact. energy: -1.829
local terms energy: -163.541303
where:
bonds (distance) C4'-P energy: -52.589
bonds (distance) P-C4' energy: -55.768
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -32.445
tors. eta vs tors. theta energy: 9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1099.743276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.743276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.743276 (E_RNA)
where:
Base-Base interactions energy: -767.766
where: short stacking energy: -330.070
Base-Backbone interact. energy: 0.140
local terms energy: -332.117180
where:
bonds (distance) C4'-P energy: -67.867
bonds (distance) P-C4' energy: -59.338
flat angles C4'-P-C4' energy: -66.405
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -91.181
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: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1072.563377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.563377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.563377 (E_RNA)
where:
Base-Base interactions energy: -744.361
where: short stacking energy: -314.521
Base-Backbone interact. energy: -1.192
local terms energy: -327.009635
where:
bonds (distance) C4'-P energy: -65.687
bonds (distance) P-C4' energy: -65.406
flat angles C4'-P-C4' energy: -63.992
flat angles P-C4'-P energy: -41.848
tors. eta vs tors. theta energy: -90.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1021.044404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.044404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.044404 (E_RNA)
where:
Base-Base interactions energy: -709.076
where: short stacking energy: -303.428
Base-Backbone interact. energy: -0.966
local terms energy: -311.001784
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -64.373
flat angles C4'-P-C4' energy: -71.214
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -86.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1005.529396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.529396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.529396 (E_RNA)
where:
Base-Base interactions energy: -706.155
where: short stacking energy: -284.605
Base-Backbone interact. energy: -2.499
local terms energy: -296.875710
where:
bonds (distance) C4'-P energy: -56.989
bonds (distance) P-C4' energy: -64.452
flat angles C4'-P-C4' energy: -65.902
flat angles P-C4'-P energy: -32.591
tors. eta vs tors. theta energy: -76.941
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: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -972.092732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.092732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.092732 (E_RNA)
where:
Base-Base interactions energy: -653.942
where: short stacking energy: -297.054
Base-Backbone interact. energy: -1.204
local terms energy: -316.946681
where:
bonds (distance) C4'-P energy: -65.033
bonds (distance) P-C4' energy: -57.789
flat angles C4'-P-C4' energy: -63.438
flat angles P-C4'-P energy: -40.790
tors. eta vs tors. theta energy: -89.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -883.866184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.866184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.866184 (E_RNA)
where:
Base-Base interactions energy: -600.271
where: short stacking energy: -230.525
Base-Backbone interact. energy: -0.343
local terms energy: -283.253046
where:
bonds (distance) C4'-P energy: -49.038
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -49.041
tors. eta vs tors. theta energy: -67.160
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -846.674073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.674073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.674073 (E_RNA)
where:
Base-Base interactions energy: -579.007
where: short stacking energy: -258.726
Base-Backbone interact. energy: -1.084
local terms energy: -266.582696
where:
bonds (distance) C4'-P energy: -58.450
bonds (distance) P-C4' energy: -45.292
flat angles C4'-P-C4' energy: -57.558
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -69.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -713.686626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.686626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.686626 (E_RNA)
where:
Base-Base interactions energy: -484.477
where: short stacking energy: -214.284
Base-Backbone interact. energy: -1.556
local terms energy: -227.653168
where:
bonds (distance) C4'-P energy: -52.514
bonds (distance) P-C4' energy: -46.581
flat angles C4'-P-C4' energy: -51.432
flat angles P-C4'-P energy: -31.417
tors. eta vs tors. theta energy: -45.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -700.951580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.951580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.951580 (E_RNA)
where:
Base-Base interactions energy: -465.362
where: short stacking energy: -199.706
Base-Backbone interact. energy: -1.399
local terms energy: -234.190653
where:
bonds (distance) C4'-P energy: -51.026
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -56.437
flat angles P-C4'-P energy: -33.368
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: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -279.545211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.545211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.545211 (E_RNA)
where:
Base-Base interactions energy: -98.123
where: short stacking energy: -82.366
Base-Backbone interact. energy: -0.055
local terms energy: -181.367211
where:
bonds (distance) C4'-P energy: -56.590
bonds (distance) P-C4' energy: -54.484
flat angles C4'-P-C4' energy: -48.589
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1107.984497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.984497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.984497 (E_RNA)
where:
Base-Base interactions energy: -765.236
where: short stacking energy: -335.197
Base-Backbone interact. energy: -0.754
local terms energy: -341.994085
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -62.651
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -48.105
tors. eta vs tors. theta energy: -95.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1069.768781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.768781 (E_RNA)
where:
Base-Base interactions energy: -745.922
where: short stacking energy: -337.453
Base-Backbone interact. energy: -0.826
local terms energy: -323.021616
where:
bonds (distance) C4'-P energy: -61.121
bonds (distance) P-C4' energy: -58.746
flat angles C4'-P-C4' energy: -64.805
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -93.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1009.454718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.454718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.454718 (E_RNA)
where:
Base-Base interactions energy: -687.408
where: short stacking energy: -290.661
Base-Backbone interact. energy: -1.706
local terms energy: -320.341067
where:
bonds (distance) C4'-P energy: -58.731
bonds (distance) P-C4' energy: -59.792
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -47.618
tors. eta vs tors. theta energy: -92.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1008.008559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.008559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.008559 (E_RNA)
where:
Base-Base interactions energy: -709.586
where: short stacking energy: -294.255
Base-Backbone interact. energy: -0.199
local terms energy: -298.223468
where:
bonds (distance) C4'-P energy: -56.564
bonds (distance) P-C4' energy: -57.089
flat angles C4'-P-C4' energy: -67.374
flat angles P-C4'-P energy: -38.635
tors. eta vs tors. theta energy: -78.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -949.509977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.509977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.509977 (E_RNA)
where:
Base-Base interactions energy: -653.665
where: short stacking energy: -294.931
Base-Backbone interact. energy: -1.068
local terms energy: -294.776351
where:
bonds (distance) C4'-P energy: -47.706
bonds (distance) P-C4' energy: -59.945
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -88.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -853.806509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.806509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.806509 (E_RNA)
where:
Base-Base interactions energy: -576.985
where: short stacking energy: -253.669
Base-Backbone interact. energy: -1.850
local terms energy: -274.971581
where:
bonds (distance) C4'-P energy: -55.013
bonds (distance) P-C4' energy: -51.331
flat angles C4'-P-C4' energy: -58.009
flat angles P-C4'-P energy: -39.159
tors. eta vs tors. theta energy: -71.460
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: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -866.975757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.975757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.975757 (E_RNA)
where:
Base-Base interactions energy: -591.924
where: short stacking energy: -255.945
Base-Backbone interact. energy: 0.800
local terms energy: -275.852543
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -58.983
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -69.136
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: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -690.351497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.351497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.351497 (E_RNA)
where:
Base-Base interactions energy: -461.926
where: short stacking energy: -187.459
Base-Backbone interact. energy: 0.269
local terms energy: -228.694633
where:
bonds (distance) C4'-P energy: -55.916
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -54.546
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -28.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -690.505715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.505715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.505715 (E_RNA)
where:
Base-Base interactions energy: -469.103
where: short stacking energy: -211.557
Base-Backbone interact. energy: -0.873
local terms energy: -220.529095
where:
bonds (distance) C4'-P energy: -51.963
bonds (distance) P-C4' energy: -41.403
flat angles C4'-P-C4' energy: -55.528
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -47.235
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: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -290.160868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.160868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.160868 (E_RNA)
where:
Base-Base interactions energy: -120.443
where: short stacking energy: -83.368
Base-Backbone interact. energy: 6.526
local terms energy: -176.243822
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -48.597
flat angles C4'-P-C4' energy: -60.335
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: 6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1112.735219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.735219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.735219 (E_RNA)
where:
Base-Base interactions energy: -776.677
where: short stacking energy: -321.441
Base-Backbone interact. energy: -0.335
local terms energy: -335.723929
where:
bonds (distance) C4'-P energy: -55.988
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -65.743
flat angles P-C4'-P energy: -52.067
tors. eta vs tors. theta energy: -94.721
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: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1056.198858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.198858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.198858 (E_RNA)
where:
Base-Base interactions energy: -741.949
where: short stacking energy: -328.123
Base-Backbone interact. energy: -0.671
local terms energy: -313.579201
where:
bonds (distance) C4'-P energy: -55.789
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -61.810
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: -93.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1019.672055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.672055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.672055 (E_RNA)
where:
Base-Base interactions energy: -702.676
where: short stacking energy: -311.564
Base-Backbone interact. energy: 6.158
local terms energy: -323.154578
where:
bonds (distance) C4'-P energy: -60.822
bonds (distance) P-C4' energy: -65.822
flat angles C4'-P-C4' energy: -63.754
flat angles P-C4'-P energy: -45.751
tors. eta vs tors. theta energy: -87.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -996.751628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.751628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.751628 (E_RNA)
where:
Base-Base interactions energy: -703.602
where: short stacking energy: -292.270
Base-Backbone interact. energy: 1.242
local terms energy: -294.391919
where:
bonds (distance) C4'-P energy: -57.791
bonds (distance) P-C4' energy: -50.134
flat angles C4'-P-C4' energy: -67.016
flat angles P-C4'-P energy: -48.328
tors. eta vs tors. theta energy: -71.123
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: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -939.880622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.880622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.880622 (E_RNA)
where:
Base-Base interactions energy: -633.787
where: short stacking energy: -290.888
Base-Backbone interact. energy: -0.374
local terms energy: -305.720023
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -60.833
flat angles C4'-P-C4' energy: -61.399
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -89.976
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: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -852.478386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.478386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.478386 (E_RNA)
where:
Base-Base interactions energy: -579.915
where: short stacking energy: -258.069
Base-Backbone interact. energy: -0.660
local terms energy: -271.903315
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -59.440
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -47.885
tors. eta vs tors. theta energy: -68.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -851.409547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.409547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.409547 (E_RNA)
where:
Base-Base interactions energy: -575.312
where: short stacking energy: -244.712
Base-Backbone interact. energy: 1.042
local terms energy: -277.139363
where:
bonds (distance) C4'-P energy: -64.397
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -63.297
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: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -718.950291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.950291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.950291 (E_RNA)
where:
Base-Base interactions energy: -495.984
where: short stacking energy: -221.217
Base-Backbone interact. energy: -0.721
local terms energy: -222.244495
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -50.849
flat angles C4'-P-C4' energy: -62.510
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -46.707
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: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -616.658798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.658798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.658798 (E_RNA)
where:
Base-Base interactions energy: -388.238
where: short stacking energy: -181.389
Base-Backbone interact. energy: -1.343
local terms energy: -227.077345
where:
bonds (distance) C4'-P energy: -47.246
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -59.685
flat angles P-C4'-P energy: -33.744
tors. eta vs tors. theta energy: -36.350
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: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -294.827346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.827346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.827346 (E_RNA)
where:
Base-Base interactions energy: -117.721
where: short stacking energy: -99.940
Base-Backbone interact. energy: 1.811
local terms energy: -178.917753
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -48.827
flat angles C4'-P-C4' energy: -55.705
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -3.663
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: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1119.181403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.181403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.181403 (E_RNA)
where:
Base-Base interactions energy: -789.044
where: short stacking energy: -322.336
Base-Backbone interact. energy: 0.104
local terms energy: -330.241583
where:
bonds (distance) C4'-P energy: -62.768
bonds (distance) P-C4' energy: -60.567
flat angles C4'-P-C4' energy: -67.593
flat angles P-C4'-P energy: -40.662
tors. eta vs tors. theta energy: -98.652
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: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1045.407874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.407874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.407874 (E_RNA)
where:
Base-Base interactions energy: -716.030
where: short stacking energy: -315.685
Base-Backbone interact. energy: 0.175
local terms energy: -329.553075
where:
bonds (distance) C4'-P energy: -62.619
bonds (distance) P-C4' energy: -63.646
flat angles C4'-P-C4' energy: -69.230
flat angles P-C4'-P energy: -48.001
tors. eta vs tors. theta energy: -86.057
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: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1038.831557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.831557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.831557 (E_RNA)
where:
Base-Base interactions energy: -709.966
where: short stacking energy: -315.814
Base-Backbone interact. energy: 1.895
local terms energy: -330.760634
where:
bonds (distance) C4'-P energy: -57.932
bonds (distance) P-C4' energy: -62.657
flat angles C4'-P-C4' energy: -67.269
flat angles P-C4'-P energy: -50.544
tors. eta vs tors. theta energy: -92.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -980.840355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.840355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.840355 (E_RNA)
where:
Base-Base interactions energy: -699.178
where: short stacking energy: -289.132
Base-Backbone interact. energy: -1.538
local terms energy: -280.123930
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -48.963
flat angles C4'-P-C4' energy: -68.162
flat angles P-C4'-P energy: -35.206
tors. eta vs tors. theta energy: -71.472
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: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -942.605641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.605641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.605641 (E_RNA)
where:
Base-Base interactions energy: -649.085
where: short stacking energy: -301.834
Base-Backbone interact. energy: -1.752
local terms energy: -291.768922
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -46.401
flat angles C4'-P-C4' energy: -67.195
flat angles P-C4'-P energy: -41.223
tors. eta vs tors. theta energy: -84.069
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: 249
Temperature: 1.150000
Total energy: -874.125050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.125050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.125050 (E_RNA)
where:
Base-Base interactions energy: -610.913
where: short stacking energy: -251.881
Base-Backbone interact. energy: 2.182
local terms energy: -265.393784
where:
bonds (distance) C4'-P energy: -47.979
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -54.740
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -67.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -850.972673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.972673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.972673 (E_RNA)
where:
Base-Base interactions energy: -577.259
where: short stacking energy: -259.723
Base-Backbone interact. energy: -0.758
local terms energy: -272.955248
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -53.265
flat angles C4'-P-C4' energy: -60.985
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -63.046
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: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -726.891061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.891061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.891061 (E_RNA)
where:
Base-Base interactions energy: -480.403
where: short stacking energy: -204.918
Base-Backbone interact. energy: -1.435
local terms energy: -245.053731
where:
bonds (distance) C4'-P energy: -52.371
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -47.987
flat angles P-C4'-P energy: -32.174
tors. eta vs tors. theta energy: -49.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -590.866945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.866945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.866945 (E_RNA)
where:
Base-Base interactions energy: -396.776
where: short stacking energy: -179.704
Base-Backbone interact. energy: -0.139
local terms energy: -193.951843
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -44.137
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -283.898909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.898909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.898909 (E_RNA)
where:
Base-Base interactions energy: -137.321
where: short stacking energy: -89.063
Base-Backbone interact. energy: -0.077
local terms energy: -146.501320
where:
bonds (distance) C4'-P energy: -57.650
bonds (distance) P-C4' energy: -43.190
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: 7.616
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: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1129.211076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.211076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.211076 (E_RNA)
where:
Base-Base interactions energy: -797.167
where: short stacking energy: -349.333
Base-Backbone interact. energy: -1.584
local terms energy: -330.460089
where:
bonds (distance) C4'-P energy: -60.702
bonds (distance) P-C4' energy: -65.239
flat angles C4'-P-C4' energy: -62.252
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -99.205
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: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1042.833969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.833969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.833969 (E_RNA)
where:
Base-Base interactions energy: -714.778
where: short stacking energy: -327.871
Base-Backbone interact. energy: 0.062
local terms energy: -328.118150
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -67.115
flat angles P-C4'-P energy: -51.399
tors. eta vs tors. theta energy: -92.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1064.295030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.295030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.295030 (E_RNA)
where:
Base-Base interactions energy: -750.569
where: short stacking energy: -330.503
Base-Backbone interact. energy: -1.275
local terms energy: -312.450328
where:
bonds (distance) C4'-P energy: -55.696
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -64.293
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -92.695
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: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1003.231619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.231619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.231619 (E_RNA)
where:
Base-Base interactions energy: -708.407
where: short stacking energy: -289.022
Base-Backbone interact. energy: -0.464
local terms energy: -294.361083
where:
bonds (distance) C4'-P energy: -49.275
bonds (distance) P-C4' energy: -57.590
flat angles C4'-P-C4' energy: -61.618
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -80.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -947.714017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.714017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.714017 (E_RNA)
where:
Base-Base interactions energy: -644.304
where: short stacking energy: -296.221
Base-Backbone interact. energy: -0.159
local terms energy: -303.250406
where:
bonds (distance) C4'-P energy: -50.550
bonds (distance) P-C4' energy: -56.097
flat angles C4'-P-C4' energy: -72.894
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -78.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -892.707151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.707151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.707151 (E_RNA)
where:
Base-Base interactions energy: -616.236
where: short stacking energy: -261.253
Base-Backbone interact. energy: -0.575
local terms energy: -275.896165
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -54.604
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -70.986
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: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -858.074504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.074504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.074504 (E_RNA)
where:
Base-Base interactions energy: -583.917
where: short stacking energy: -264.768
Base-Backbone interact. energy: -1.302
local terms energy: -272.854918
where:
bonds (distance) C4'-P energy: -42.988
bonds (distance) P-C4' energy: -64.469
flat angles C4'-P-C4' energy: -66.526
flat angles P-C4'-P energy: -31.979
tors. eta vs tors. theta energy: -66.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -737.561334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.561334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.561334 (E_RNA)
where:
Base-Base interactions energy: -476.716
where: short stacking energy: -210.602
Base-Backbone interact. energy: 0.810
local terms energy: -261.654772
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -57.473
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -53.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -607.852444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.852444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.852444 (E_RNA)
where:
Base-Base interactions energy: -406.100
where: short stacking energy: -187.819
Base-Backbone interact. energy: 3.980
local terms energy: -205.732266
where:
bonds (distance) C4'-P energy: -41.433
bonds (distance) P-C4' energy: -49.984
flat angles C4'-P-C4' energy: -39.933
flat angles P-C4'-P energy: -38.873
tors. eta vs tors. theta energy: -35.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -286.816035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.816035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.816035 (E_RNA)
where:
Base-Base interactions energy: -107.282
where: short stacking energy: -72.774
Base-Backbone interact. energy: -0.844
local terms energy: -178.690461
where:
bonds (distance) C4'-P energy: -56.760
bonds (distance) P-C4' energy: -65.866
flat angles C4'-P-C4' energy: -36.979
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: 7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1122.191461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.191461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.191461 (E_RNA)
where:
Base-Base interactions energy: -786.076
where: short stacking energy: -327.724
Base-Backbone interact. energy: -0.709
local terms energy: -335.405818
where:
bonds (distance) C4'-P energy: -57.509
bonds (distance) P-C4' energy: -67.719
flat angles C4'-P-C4' energy: -68.766
flat angles P-C4'-P energy: -47.041
tors. eta vs tors. theta energy: -94.371
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: 251
Temperature: 0.950000
Total energy: -1086.679013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.679013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.679013 (E_RNA)
where:
Base-Base interactions energy: -758.152
where: short stacking energy: -332.886
Base-Backbone interact. energy: 1.139
local terms energy: -329.666062
where:
bonds (distance) C4'-P energy: -62.537
bonds (distance) P-C4' energy: -67.920
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -39.976
tors. eta vs tors. theta energy: -95.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1006.746514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.746514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.746514 (E_RNA)
where:
Base-Base interactions energy: -695.436
where: short stacking energy: -316.824
Base-Backbone interact. energy: -1.218
local terms energy: -310.093309
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -55.978
flat angles C4'-P-C4' energy: -65.118
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -88.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -984.053045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.053045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.053045 (E_RNA)
where:
Base-Base interactions energy: -668.520
where: short stacking energy: -302.384
Base-Backbone interact. energy: -1.332
local terms energy: -314.201023
where:
bonds (distance) C4'-P energy: -61.194
bonds (distance) P-C4' energy: -50.605
flat angles C4'-P-C4' energy: -67.864
flat angles P-C4'-P energy: -49.856
tors. eta vs tors. theta energy: -84.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -971.413861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.413861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.413861 (E_RNA)
where:
Base-Base interactions energy: -698.641
where: short stacking energy: -284.340
Base-Backbone interact. energy: -2.947
local terms energy: -269.825688
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -54.128
flat angles C4'-P-C4' energy: -58.872
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -72.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -877.904620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.904620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.904620 (E_RNA)
where:
Base-Base interactions energy: -606.253
where: short stacking energy: -255.003
Base-Backbone interact. energy: -0.277
local terms energy: -271.374393
where:
bonds (distance) C4'-P energy: -50.202
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -63.886
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -67.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -838.824573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.824573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.824573 (E_RNA)
where:
Base-Base interactions energy: -584.289
where: short stacking energy: -264.413
Base-Backbone interact. energy: 1.375
local terms energy: -255.910613
where:
bonds (distance) C4'-P energy: -55.353
bonds (distance) P-C4' energy: -42.660
flat angles C4'-P-C4' energy: -63.217
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -66.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -727.794851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.794851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.794851 (E_RNA)
where:
Base-Base interactions energy: -494.690
where: short stacking energy: -215.276
Base-Backbone interact. energy: -0.014
local terms energy: -233.091076
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -61.302
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -50.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -613.138074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.138074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.138074 (E_RNA)
where:
Base-Base interactions energy: -398.484
where: short stacking energy: -194.920
Base-Backbone interact. energy: -1.982
local terms energy: -212.672236
where:
bonds (distance) C4'-P energy: -54.720
bonds (distance) P-C4' energy: -41.138
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -37.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -269.124181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.124181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.124181 (E_RNA)
where:
Base-Base interactions energy: -88.941
where: short stacking energy: -74.891
Base-Backbone interact. energy: -0.475
local terms energy: -179.708073
where:
bonds (distance) C4'-P energy: -43.317
bonds (distance) P-C4' energy: -60.100
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: 3.039
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: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1126.255276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.255276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.255276 (E_RNA)
where:
Base-Base interactions energy: -779.577
where: short stacking energy: -341.704
Base-Backbone interact. energy: -0.793
local terms energy: -345.885697
where:
bonds (distance) C4'-P energy: -59.579
bonds (distance) P-C4' energy: -60.674
flat angles C4'-P-C4' energy: -75.471
flat angles P-C4'-P energy: -46.744
tors. eta vs tors. theta energy: -103.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1073.208579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.208579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.208579 (E_RNA)
where:
Base-Base interactions energy: -749.456
where: short stacking energy: -329.032
Base-Backbone interact. energy: -0.223
local terms energy: -323.529473
where:
bonds (distance) C4'-P energy: -63.609
bonds (distance) P-C4' energy: -66.233
flat angles C4'-P-C4' energy: -62.694
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -90.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1021.385247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.385247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.385247 (E_RNA)
where:
Base-Base interactions energy: -718.531
where: short stacking energy: -324.153
Base-Backbone interact. energy: -0.460
local terms energy: -302.394956
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -60.327
flat angles C4'-P-C4' energy: -63.998
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -85.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -972.522465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.522465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.522465 (E_RNA)
where:
Base-Base interactions energy: -670.792
where: short stacking energy: -306.985
Base-Backbone interact. energy: -0.841
local terms energy: -300.890317
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -70.210
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -86.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1004.841518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.841518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.841518 (E_RNA)
where:
Base-Base interactions energy: -712.135
where: short stacking energy: -282.492
Base-Backbone interact. energy: -1.583
local terms energy: -291.122915
where:
bonds (distance) C4'-P energy: -58.384
bonds (distance) P-C4' energy: -55.146
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -48.387
tors. eta vs tors. theta energy: -72.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -938.573886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.573886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.573886 (E_RNA)
where:
Base-Base interactions energy: -639.159
where: short stacking energy: -280.133
Base-Backbone interact. energy: -0.194
local terms energy: -299.220947
where:
bonds (distance) C4'-P energy: -52.919
bonds (distance) P-C4' energy: -56.309
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -76.353
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: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -839.301798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.301798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.301798 (E_RNA)
where:
Base-Base interactions energy: -575.865
where: short stacking energy: -257.622
Base-Backbone interact. energy: -1.067
local terms energy: -262.369950
where:
bonds (distance) C4'-P energy: -46.031
bonds (distance) P-C4' energy: -60.163
flat angles C4'-P-C4' energy: -51.913
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -73.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -727.218363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.218363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.218363 (E_RNA)
where:
Base-Base interactions energy: -487.261
where: short stacking energy: -218.840
Base-Backbone interact. energy: -0.358
local terms energy: -239.599338
where:
bonds (distance) C4'-P energy: -49.970
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -54.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -648.988348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.988348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.988348 (E_RNA)
where:
Base-Base interactions energy: -424.816
where: short stacking energy: -195.756
Base-Backbone interact. energy: -1.115
local terms energy: -223.057737
where:
bonds (distance) C4'-P energy: -40.424
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: -41.771
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: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -276.922204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.922204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.922204 (E_RNA)
where:
Base-Base interactions energy: -100.798
where: short stacking energy: -85.806
Base-Backbone interact. energy: -1.515
local terms energy: -174.609982
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -54.408
flat angles C4'-P-C4' energy: -41.368
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -0.333
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: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1117.431908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.431908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.431908 (E_RNA)
where:
Base-Base interactions energy: -775.615
where: short stacking energy: -338.970
Base-Backbone interact. energy: -0.935
local terms energy: -340.881567
where:
bonds (distance) C4'-P energy: -66.903
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -64.370
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -99.652
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: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1027.050954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.050954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.050954 (E_RNA)
where:
Base-Base interactions energy: -692.455
where: short stacking energy: -317.701
Base-Backbone interact. energy: -2.100
local terms energy: -332.495755
where:
bonds (distance) C4'-P energy: -59.291
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -75.461
flat angles P-C4'-P energy: -49.850
tors. eta vs tors. theta energy: -95.083
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: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1037.728974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.728974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.728974 (E_RNA)
where:
Base-Base interactions energy: -719.386
where: short stacking energy: -316.312
Base-Backbone interact. energy: -0.648
local terms energy: -317.695067
where:
bonds (distance) C4'-P energy: -65.715
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -51.098
tors. eta vs tors. theta energy: -86.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1010.847585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.847585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.847585 (E_RNA)
where:
Base-Base interactions energy: -719.327
where: short stacking energy: -280.909
Base-Backbone interact. energy: 1.918
local terms energy: -293.438573
where:
bonds (distance) C4'-P energy: -59.551
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -61.515
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -76.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -964.704220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.704220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.704220 (E_RNA)
where:
Base-Base interactions energy: -649.772
where: short stacking energy: -297.197
Base-Backbone interact. energy: -0.090
local terms energy: -314.842376
where:
bonds (distance) C4'-P energy: -57.734
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -69.647
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -83.552
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: 253
Temperature: 1.150000
Total energy: -880.341319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.341319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.341319 (E_RNA)
where:
Base-Base interactions energy: -609.730
where: short stacking energy: -248.797
Base-Backbone interact. energy: -0.176
local terms energy: -270.435238
where:
bonds (distance) C4'-P energy: -45.905
bonds (distance) P-C4' energy: -52.996
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -43.223
tors. eta vs tors. theta energy: -70.785
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: 253
Temperature: 1.200000
Total energy: -841.989734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.989734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.989734 (E_RNA)
where:
Base-Base interactions energy: -563.991
where: short stacking energy: -241.303
Base-Backbone interact. energy: -2.076
local terms energy: -275.922522
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -65.238
flat angles P-C4'-P energy: -41.715
tors. eta vs tors. theta energy: -59.316
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: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -650.009233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.009233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.009233 (E_RNA)
where:
Base-Base interactions energy: -429.230
where: short stacking energy: -202.579
Base-Backbone interact. energy: -1.021
local terms energy: -219.757531
where:
bonds (distance) C4'-P energy: -39.017
bonds (distance) P-C4' energy: -59.447
flat angles C4'-P-C4' energy: -51.786
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -41.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -694.187840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.187840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.187840 (E_RNA)
where:
Base-Base interactions energy: -466.275
where: short stacking energy: -202.574
Base-Backbone interact. energy: -2.570
local terms energy: -225.343056
where:
bonds (distance) C4'-P energy: -36.699
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -53.087
flat angles P-C4'-P energy: -40.608
tors. eta vs tors. theta energy: -40.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -264.130556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.130556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.130556 (E_RNA)
where:
Base-Base interactions energy: -99.830
where: short stacking energy: -74.030
Base-Backbone interact. energy: -1.437
local terms energy: -162.863904
where:
bonds (distance) C4'-P energy: -59.114
bonds (distance) P-C4' energy: -51.800
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -27.434
tors. eta vs tors. theta energy: 8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1113.491044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.491044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.491044 (E_RNA)
where:
Base-Base interactions energy: -786.160
where: short stacking energy: -329.203
Base-Backbone interact. energy: 1.432
local terms energy: -328.763073
where:
bonds (distance) C4'-P energy: -63.886
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -68.547
flat angles P-C4'-P energy: -31.427
tors. eta vs tors. theta energy: -102.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1026.699347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.699347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.699347 (E_RNA)
where:
Base-Base interactions energy: -701.837
where: short stacking energy: -305.879
Base-Backbone interact. energy: -1.375
local terms energy: -323.487358
where:
bonds (distance) C4'-P energy: -64.443
bonds (distance) P-C4' energy: -59.675
flat angles C4'-P-C4' energy: -64.482
flat angles P-C4'-P energy: -41.888
tors. eta vs tors. theta energy: -93.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1039.360165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.360165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.360165 (E_RNA)
where:
Base-Base interactions energy: -704.416
where: short stacking energy: -311.345
Base-Backbone interact. energy: -0.892
local terms energy: -334.051335
where:
bonds (distance) C4'-P energy: -59.584
bonds (distance) P-C4' energy: -62.339
flat angles C4'-P-C4' energy: -70.676
flat angles P-C4'-P energy: -49.390
tors. eta vs tors. theta energy: -92.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -999.992274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.992274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.992274 (E_RNA)
where:
Base-Base interactions energy: -727.893
where: short stacking energy: -288.268
Base-Backbone interact. energy: 7.526
local terms energy: -279.624781
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -66.401
flat angles P-C4'-P energy: -44.272
tors. eta vs tors. theta energy: -73.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -942.702742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.702742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.702742 (E_RNA)
where:
Base-Base interactions energy: -647.730
where: short stacking energy: -283.979
Base-Backbone interact. energy: 0.502
local terms energy: -295.475586
where:
bonds (distance) C4'-P energy: -55.369
bonds (distance) P-C4' energy: -52.639
flat angles C4'-P-C4' energy: -68.108
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -81.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -870.155267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.155267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.155267 (E_RNA)
where:
Base-Base interactions energy: -615.123
where: short stacking energy: -245.853
Base-Backbone interact. energy: 0.704
local terms energy: -255.735805
where:
bonds (distance) C4'-P energy: -41.587
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -59.579
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -62.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -811.811190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.811190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.811190 (E_RNA)
where:
Base-Base interactions energy: -568.838
where: short stacking energy: -240.416
Base-Backbone interact. energy: -0.893
local terms energy: -242.080528
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -50.403
flat angles P-C4'-P energy: -38.930
tors. eta vs tors. theta energy: -57.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -654.648915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.648915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.648915 (E_RNA)
where:
Base-Base interactions energy: -433.649
where: short stacking energy: -183.706
Base-Backbone interact. energy: 0.466
local terms energy: -221.465530
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -48.408
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -32.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -676.752132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.752132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.752132 (E_RNA)
where:
Base-Base interactions energy: -438.049
where: short stacking energy: -191.895
Base-Backbone interact. energy: 1.903
local terms energy: -240.606028
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -55.685
flat angles C4'-P-C4' energy: -58.840
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -42.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -271.281292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.281292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.281292 (E_RNA)
where:
Base-Base interactions energy: -89.497
where: short stacking energy: -77.304
Base-Backbone interact. energy: -2.153
local terms energy: -179.630869
where:
bonds (distance) C4'-P energy: -58.362
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -51.329
flat angles P-C4'-P energy: -27.183
tors. eta vs tors. theta energy: 7.255
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: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1106.941927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.941927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.941927 (E_RNA)
where:
Base-Base interactions energy: -775.497
where: short stacking energy: -339.327
Base-Backbone interact. energy: -1.287
local terms energy: -330.158087
where:
bonds (distance) C4'-P energy: -63.282
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -95.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1055.377095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.377095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.377095 (E_RNA)
where:
Base-Base interactions energy: -741.809
where: short stacking energy: -329.826
Base-Backbone interact. energy: -1.487
local terms energy: -312.080671
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -58.000
flat angles C4'-P-C4' energy: -60.860
flat angles P-C4'-P energy: -42.247
tors. eta vs tors. theta energy: -93.026
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: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1012.507134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.507134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.507134 (E_RNA)
where:
Base-Base interactions energy: -696.067
where: short stacking energy: -295.816
Base-Backbone interact. energy: 0.936
local terms energy: -317.376835
where:
bonds (distance) C4'-P energy: -54.922
bonds (distance) P-C4' energy: -69.404
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -44.646
tors. eta vs tors. theta energy: -84.520
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: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1007.787347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.787347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.787347 (E_RNA)
where:
Base-Base interactions energy: -721.403
where: short stacking energy: -290.089
Base-Backbone interact. energy: 1.233
local terms energy: -287.617757
where:
bonds (distance) C4'-P energy: -51.735
bonds (distance) P-C4' energy: -57.514
flat angles C4'-P-C4' energy: -63.676
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -70.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -945.977933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.977933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.977933 (E_RNA)
where:
Base-Base interactions energy: -634.360
where: short stacking energy: -281.603
Base-Backbone interact. energy: -0.992
local terms energy: -310.626114
where:
bonds (distance) C4'-P energy: -54.016
bonds (distance) P-C4' energy: -63.779
flat angles C4'-P-C4' energy: -67.621
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -76.863
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: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -874.362031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.362031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.362031 (E_RNA)
where:
Base-Base interactions energy: -597.596
where: short stacking energy: -252.288
Base-Backbone interact. energy: 1.818
local terms energy: -278.584121
where:
bonds (distance) C4'-P energy: -56.726
bonds (distance) P-C4' energy: -60.874
flat angles C4'-P-C4' energy: -62.474
flat angles P-C4'-P energy: -38.173
tors. eta vs tors. theta energy: -60.336
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: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -899.318228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.318228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.318228 (E_RNA)
where:
Base-Base interactions energy: -624.819
where: short stacking energy: -268.607
Base-Backbone interact. energy: -0.997
local terms energy: -273.502999
where:
bonds (distance) C4'-P energy: -46.623
bonds (distance) P-C4' energy: -52.743
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -76.584
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: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -699.611632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.611632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.611632 (E_RNA)
where:
Base-Base interactions energy: -459.614
where: short stacking energy: -209.155
Base-Backbone interact. energy: -1.815
local terms energy: -238.181982
where:
bonds (distance) C4'-P energy: -43.323
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -51.038
flat angles P-C4'-P energy: -37.781
tors. eta vs tors. theta energy: -52.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -648.105029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.105029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.105029 (E_RNA)
where:
Base-Base interactions energy: -426.516
where: short stacking energy: -191.919
Base-Backbone interact. energy: -1.624
local terms energy: -219.964863
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -49.247
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -42.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -325.799922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.799922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.799922 (E_RNA)
where:
Base-Base interactions energy: -142.353
where: short stacking energy: -106.065
Base-Backbone interact. energy: -1.511
local terms energy: -181.935220
where:
bonds (distance) C4'-P energy: -54.642
bonds (distance) P-C4' energy: -50.939
flat angles C4'-P-C4' energy: -41.880
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1109.611193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.611193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.611193 (E_RNA)
where:
Base-Base interactions energy: -783.063
where: short stacking energy: -337.669
Base-Backbone interact. energy: -1.045
local terms energy: -325.503613
where:
bonds (distance) C4'-P energy: -58.836
bonds (distance) P-C4' energy: -56.541
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -99.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1046.751109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.751109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.751109 (E_RNA)
where:
Base-Base interactions energy: -731.103
where: short stacking energy: -327.455
Base-Backbone interact. energy: -1.506
local terms energy: -314.142894
where:
bonds (distance) C4'-P energy: -52.664
bonds (distance) P-C4' energy: -50.404
flat angles C4'-P-C4' energy: -73.056
flat angles P-C4'-P energy: -41.987
tors. eta vs tors. theta energy: -96.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1019.193610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.193610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.193610 (E_RNA)
where:
Base-Base interactions energy: -693.025
where: short stacking energy: -306.033
Base-Backbone interact. energy: 0.665
local terms energy: -326.833088
where:
bonds (distance) C4'-P energy: -62.493
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -44.328
tors. eta vs tors. theta energy: -93.332
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: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1004.876774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.876774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.876774 (E_RNA)
where:
Base-Base interactions energy: -712.056
where: short stacking energy: -282.212
Base-Backbone interact. energy: -2.241
local terms energy: -290.579580
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -59.830
flat angles C4'-P-C4' energy: -58.729
flat angles P-C4'-P energy: -43.698
tors. eta vs tors. theta energy: -73.527
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: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -960.831925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.831925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.831925 (E_RNA)
where:
Base-Base interactions energy: -673.000
where: short stacking energy: -300.694
Base-Backbone interact. energy: -1.267
local terms energy: -286.565370
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -59.977
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -82.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -850.530469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.530469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.530469 (E_RNA)
where:
Base-Base interactions energy: -581.078
where: short stacking energy: -249.446
Base-Backbone interact. energy: -2.222
local terms energy: -267.231281
where:
bonds (distance) C4'-P energy: -51.437
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -64.746
flat angles P-C4'-P energy: -38.212
tors. eta vs tors. theta energy: -56.792
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: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -853.573742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.573742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.573742 (E_RNA)
where:
Base-Base interactions energy: -588.871
where: short stacking energy: -256.467
Base-Backbone interact. energy: -0.542
local terms energy: -264.161063
where:
bonds (distance) C4'-P energy: -53.613
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -51.540
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -64.088
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: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -713.106714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.106714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.106714 (E_RNA)
where:
Base-Base interactions energy: -483.262
where: short stacking energy: -207.485
Base-Backbone interact. energy: 2.878
local terms energy: -232.723232
where:
bonds (distance) C4'-P energy: -50.735
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -58.269
flat angles P-C4'-P energy: -31.489
tors. eta vs tors. theta energy: -39.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -677.155089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.155089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.155089 (E_RNA)
where:
Base-Base interactions energy: -458.402
where: short stacking energy: -209.669
Base-Backbone interact. energy: -1.762
local terms energy: -216.991008
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -51.327
flat angles C4'-P-C4' energy: -47.206
flat angles P-C4'-P energy: -36.536
tors. eta vs tors. theta energy: -43.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -261.359760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.359760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.359760 (E_RNA)
where:
Base-Base interactions energy: -94.054
where: short stacking energy: -75.657
Base-Backbone interact. energy: -1.052
local terms energy: -166.253528
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -60.519
flat angles C4'-P-C4' energy: -48.432
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: 14.333
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: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1106.972022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.972022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.972022 (E_RNA)
where:
Base-Base interactions energy: -766.395
where: short stacking energy: -331.299
Base-Backbone interact. energy: -2.712
local terms energy: -337.865771
where:
bonds (distance) C4'-P energy: -68.801
bonds (distance) P-C4' energy: -67.971
flat angles C4'-P-C4' energy: -65.142
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -92.896
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: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1055.370111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.370111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.370111 (E_RNA)
where:
Base-Base interactions energy: -751.192
where: short stacking energy: -324.962
Base-Backbone interact. energy: 1.029
local terms energy: -305.207213
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -48.096
flat angles C4'-P-C4' energy: -62.852
flat angles P-C4'-P energy: -49.581
tors. eta vs tors. theta energy: -89.937
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: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1026.689229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.689229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.689229 (E_RNA)
where:
Base-Base interactions energy: -701.740
where: short stacking energy: -323.304
Base-Backbone interact. energy: -2.104
local terms energy: -322.845258
where:
bonds (distance) C4'-P energy: -57.349
bonds (distance) P-C4' energy: -65.552
flat angles C4'-P-C4' energy: -66.955
flat angles P-C4'-P energy: -42.938
tors. eta vs tors. theta energy: -90.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1010.600621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.600621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.600621 (E_RNA)
where:
Base-Base interactions energy: -714.941
where: short stacking energy: -288.705
Base-Backbone interact. energy: -1.659
local terms energy: -294.000695
where:
bonds (distance) C4'-P energy: -56.576
bonds (distance) P-C4' energy: -57.680
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -45.535
tors. eta vs tors. theta energy: -70.898
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: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -971.244556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.244556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.244556 (E_RNA)
where:
Base-Base interactions energy: -672.205
where: short stacking energy: -302.390
Base-Backbone interact. energy: -0.538
local terms energy: -298.502100
where:
bonds (distance) C4'-P energy: -56.006
bonds (distance) P-C4' energy: -62.816
flat angles C4'-P-C4' energy: -61.778
flat angles P-C4'-P energy: -31.005
tors. eta vs tors. theta energy: -86.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -861.039363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.039363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.039363 (E_RNA)
where:
Base-Base interactions energy: -609.724
where: short stacking energy: -261.770
Base-Backbone interact. energy: 0.201
local terms energy: -251.516583
where:
bonds (distance) C4'-P energy: -43.846
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -62.009
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -60.680
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: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -835.146704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.146704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.146704 (E_RNA)
where:
Base-Base interactions energy: -575.442
where: short stacking energy: -229.632
Base-Backbone interact. energy: -1.122
local terms energy: -258.582943
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -55.100
flat angles C4'-P-C4' energy: -47.741
flat angles P-C4'-P energy: -45.405
tors. eta vs tors. theta energy: -56.558
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: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -720.033208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.033208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.033208 (E_RNA)
where:
Base-Base interactions energy: -480.699
where: short stacking energy: -225.976
Base-Backbone interact. energy: 0.477
local terms energy: -239.811731
where:
bonds (distance) C4'-P energy: -57.715
bonds (distance) P-C4' energy: -46.134
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -55.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -660.111710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.111710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.111710 (E_RNA)
where:
Base-Base interactions energy: -429.004
where: short stacking energy: -193.288
Base-Backbone interact. energy: -1.524
local terms energy: -229.583082
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -54.119
flat angles C4'-P-C4' energy: -52.362
flat angles P-C4'-P energy: -30.334
tors. eta vs tors. theta energy: -41.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -292.873459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.873459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.873459 (E_RNA)
where:
Base-Base interactions energy: -126.519
where: short stacking energy: -95.851
Base-Backbone interact. energy: -1.044
local terms energy: -165.310129
where:
bonds (distance) C4'-P energy: -54.410
bonds (distance) P-C4' energy: -44.432
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: 0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1073.795094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.795094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.795094 (E_RNA)
where:
Base-Base interactions energy: -750.331
where: short stacking energy: -324.429
Base-Backbone interact. energy: 0.387
local terms energy: -323.850905
where:
bonds (distance) C4'-P energy: -56.874
bonds (distance) P-C4' energy: -59.863
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -89.364
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: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1075.610760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.610760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.610760 (E_RNA)
where:
Base-Base interactions energy: -737.358
where: short stacking energy: -322.420
Base-Backbone interact. energy: -0.366
local terms energy: -337.886467
where:
bonds (distance) C4'-P energy: -58.729
bonds (distance) P-C4' energy: -64.576
flat angles C4'-P-C4' energy: -70.685
flat angles P-C4'-P energy: -51.503
tors. eta vs tors. theta energy: -92.394
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: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1027.993793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.993793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.993793 (E_RNA)
where:
Base-Base interactions energy: -711.509
where: short stacking energy: -311.966
Base-Backbone interact. energy: -2.613
local terms energy: -313.871900
where:
bonds (distance) C4'-P energy: -54.837
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -68.505
flat angles P-C4'-P energy: -43.562
tors. eta vs tors. theta energy: -88.184
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: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1000.463656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.463656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.463656 (E_RNA)
where:
Base-Base interactions energy: -717.026
where: short stacking energy: -291.879
Base-Backbone interact. energy: 0.666
local terms energy: -284.104157
where:
bonds (distance) C4'-P energy: -50.585
bonds (distance) P-C4' energy: -60.523
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -73.202
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: 258
Temperature: 1.100000
Total energy: -995.607544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.607544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.607544 (E_RNA)
where:
Base-Base interactions energy: -687.988
where: short stacking energy: -307.680
Base-Backbone interact. energy: -1.396
local terms energy: -306.223571
where:
bonds (distance) C4'-P energy: -47.471
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -66.144
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -93.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -903.842036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.842036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.842036 (E_RNA)
where:
Base-Base interactions energy: -619.857
where: short stacking energy: -272.387
Base-Backbone interact. energy: -0.721
local terms energy: -283.263243
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -49.305
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -48.318
tors. eta vs tors. theta energy: -72.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -818.793707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.793707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.793707 (E_RNA)
where:
Base-Base interactions energy: -578.974
where: short stacking energy: -246.667
Base-Backbone interact. energy: -1.267
local terms energy: -238.553052
where:
bonds (distance) C4'-P energy: -46.894
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -58.347
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -56.463
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: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -722.787718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.787718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.787718 (E_RNA)
where:
Base-Base interactions energy: -495.933
where: short stacking energy: -213.195
Base-Backbone interact. energy: -2.072
local terms energy: -224.783098
where:
bonds (distance) C4'-P energy: -41.819
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -51.084
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -45.422
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: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -689.886116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.886116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.886116 (E_RNA)
where:
Base-Base interactions energy: -470.363
where: short stacking energy: -218.955
Base-Backbone interact. energy: 4.910
local terms energy: -224.433049
where:
bonds (distance) C4'-P energy: -48.409
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -57.212
flat angles P-C4'-P energy: -18.796
tors. eta vs tors. theta energy: -56.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -277.998624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.998624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.998624 (E_RNA)
where:
Base-Base interactions energy: -119.472
where: short stacking energy: -80.576
Base-Backbone interact. energy: 1.414
local terms energy: -159.940639
where:
bonds (distance) C4'-P energy: -40.450
bonds (distance) P-C4' energy: -43.277
flat angles C4'-P-C4' energy: -53.424
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: 2.085
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: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1094.174062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.174062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.174062 (E_RNA)
where:
Base-Base interactions energy: -765.476
where: short stacking energy: -328.276
Base-Backbone interact. energy: -1.928
local terms energy: -326.769711
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -58.884
flat angles C4'-P-C4' energy: -68.264
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -97.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1050.367070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.367070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.367070 (E_RNA)
where:
Base-Base interactions energy: -727.000
where: short stacking energy: -312.314
Base-Backbone interact. energy: -2.477
local terms energy: -320.889490
where:
bonds (distance) C4'-P energy: -56.502
bonds (distance) P-C4' energy: -65.398
flat angles C4'-P-C4' energy: -63.186
flat angles P-C4'-P energy: -47.305
tors. eta vs tors. theta energy: -88.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1052.581914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.581914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.581914 (E_RNA)
where:
Base-Base interactions energy: -733.990
where: short stacking energy: -310.407
Base-Backbone interact. energy: -2.328
local terms energy: -316.264456
where:
bonds (distance) C4'-P energy: -56.196
bonds (distance) P-C4' energy: -57.984
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -95.093
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: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -998.440547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.440547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.440547 (E_RNA)
where:
Base-Base interactions energy: -689.621
where: short stacking energy: -304.990
Base-Backbone interact. energy: 0.445
local terms energy: -309.264183
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -68.051
flat angles P-C4'-P energy: -43.639
tors. eta vs tors. theta energy: -85.828
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: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -973.083809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.083809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.083809 (E_RNA)
where:
Base-Base interactions energy: -695.187
where: short stacking energy: -272.109
Base-Backbone interact. energy: -1.844
local terms energy: -276.052862
where:
bonds (distance) C4'-P energy: -51.478
bonds (distance) P-C4' energy: -55.662
flat angles C4'-P-C4' energy: -66.161
flat angles P-C4'-P energy: -38.188
tors. eta vs tors. theta energy: -64.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -872.231055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.231055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.231055 (E_RNA)
where:
Base-Base interactions energy: -600.172
where: short stacking energy: -252.540
Base-Backbone interact. energy: -2.278
local terms energy: -269.781416
where:
bonds (distance) C4'-P energy: -47.395
bonds (distance) P-C4' energy: -61.979
flat angles C4'-P-C4' energy: -57.088
flat angles P-C4'-P energy: -41.142
tors. eta vs tors. theta energy: -62.177
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: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -837.345005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.345005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.345005 (E_RNA)
where:
Base-Base interactions energy: -596.575
where: short stacking energy: -254.814
Base-Backbone interact. energy: -2.829
local terms energy: -237.941297
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -62.357
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -68.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -702.981496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.981496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.981496 (E_RNA)
where:
Base-Base interactions energy: -461.348
where: short stacking energy: -214.405
Base-Backbone interact. energy: -0.659
local terms energy: -240.973821
where:
bonds (distance) C4'-P energy: -52.593
bonds (distance) P-C4' energy: -52.815
flat angles C4'-P-C4' energy: -53.013
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: -46.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -707.776502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.776502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.776502 (E_RNA)
where:
Base-Base interactions energy: -479.898
where: short stacking energy: -212.550
Base-Backbone interact. energy: -1.383
local terms energy: -226.495641
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -50.276
flat angles C4'-P-C4' energy: -56.137
flat angles P-C4'-P energy: -38.498
tors. eta vs tors. theta energy: -41.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -336.478625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.478625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.478625 (E_RNA)
where:
Base-Base interactions energy: -182.155
where: short stacking energy: -103.769
Base-Backbone interact. energy: -0.743
local terms energy: -153.580693
where:
bonds (distance) C4'-P energy: -46.432
bonds (distance) P-C4' energy: -51.199
flat angles C4'-P-C4' energy: -44.131
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: 11.453
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: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1089.002981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.002981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.002981 (E_RNA)
where:
Base-Base interactions energy: -753.982
where: short stacking energy: -339.852
Base-Backbone interact. energy: -1.687
local terms energy: -333.333797
where:
bonds (distance) C4'-P energy: -58.836
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -71.910
flat angles P-C4'-P energy: -44.418
tors. eta vs tors. theta energy: -95.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1046.931238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.931238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.931238 (E_RNA)
where:
Base-Base interactions energy: -724.291
where: short stacking energy: -318.603
Base-Backbone interact. energy: -3.827
local terms energy: -318.813428
where:
bonds (distance) C4'-P energy: -54.806
bonds (distance) P-C4' energy: -57.115
flat angles C4'-P-C4' energy: -67.592
flat angles P-C4'-P energy: -46.605
tors. eta vs tors. theta energy: -92.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1073.372627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.372627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.372627 (E_RNA)
where:
Base-Base interactions energy: -735.898
where: short stacking energy: -311.775
Base-Backbone interact. energy: 0.555
local terms energy: -338.028979
where:
bonds (distance) C4'-P energy: -59.524
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -67.961
flat angles P-C4'-P energy: -47.966
tors. eta vs tors. theta energy: -97.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1000.732585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.732585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.732585 (E_RNA)
where:
Base-Base interactions energy: -717.558
where: short stacking energy: -310.252
Base-Backbone interact. energy: -0.018
local terms energy: -283.156851
where:
bonds (distance) C4'-P energy: -43.520
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -37.800
tors. eta vs tors. theta energy: -83.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -985.119926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.119926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.119926 (E_RNA)
where:
Base-Base interactions energy: -700.321
where: short stacking energy: -283.324
Base-Backbone interact. energy: -1.044
local terms energy: -283.755040
where:
bonds (distance) C4'-P energy: -53.016
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -48.729
tors. eta vs tors. theta energy: -65.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -905.007091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.007091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.007091 (E_RNA)
where:
Base-Base interactions energy: -623.700
where: short stacking energy: -271.286
Base-Backbone interact. energy: 1.989
local terms energy: -283.295683
where:
bonds (distance) C4'-P energy: -51.544
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -66.250
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -69.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -738.842509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.842509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.842509 (E_RNA)
where:
Base-Base interactions energy: -488.855
where: short stacking energy: -231.423
Base-Backbone interact. energy: -0.381
local terms energy: -249.606219
where:
bonds (distance) C4'-P energy: -52.456
bonds (distance) P-C4' energy: -41.003
flat angles C4'-P-C4' energy: -62.808
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -47.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -797.033980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.033980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.033980 (E_RNA)
where:
Base-Base interactions energy: -573.620
where: short stacking energy: -221.802
Base-Backbone interact. energy: -1.675
local terms energy: -221.739259
where:
bonds (distance) C4'-P energy: -41.609
bonds (distance) P-C4' energy: -49.773
flat angles C4'-P-C4' energy: -46.447
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -53.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -748.173606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.173606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.173606 (E_RNA)
where:
Base-Base interactions energy: -505.481
where: short stacking energy: -226.454
Base-Backbone interact. energy: -0.093
local terms energy: -242.599812
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -49.896
flat angles P-C4'-P energy: -42.802
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: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -292.904353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.904353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.904353 (E_RNA)
where:
Base-Base interactions energy: -129.461
where: short stacking energy: -74.872
Base-Backbone interact. energy: 3.343
local terms energy: -166.786185
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -58.196
flat angles C4'-P-C4' energy: -45.974
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: 3.873
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: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1096.940163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.940163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.940163 (E_RNA)
where:
Base-Base interactions energy: -775.731
where: short stacking energy: -356.383
Base-Backbone interact. energy: 0.079
local terms energy: -321.288058
where:
bonds (distance) C4'-P energy: -48.885
bonds (distance) P-C4' energy: -57.691
flat angles C4'-P-C4' energy: -69.113
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -98.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1097.125465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.125465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.125465 (E_RNA)
where:
Base-Base interactions energy: -773.145
where: short stacking energy: -327.197
Base-Backbone interact. energy: -0.989
local terms energy: -322.991679
where:
bonds (distance) C4'-P energy: -59.443
bonds (distance) P-C4' energy: -65.418
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -92.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1033.056712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.056712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.056712 (E_RNA)
where:
Base-Base interactions energy: -722.724
where: short stacking energy: -302.314
Base-Backbone interact. energy: -0.666
local terms energy: -309.667225
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -63.680
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -35.177
tors. eta vs tors. theta energy: -86.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -980.143861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.143861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.143861 (E_RNA)
where:
Base-Base interactions energy: -672.510
where: short stacking energy: -297.924
Base-Backbone interact. energy: -0.313
local terms energy: -307.320780
where:
bonds (distance) C4'-P energy: -59.159
bonds (distance) P-C4' energy: -62.602
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -43.693
tors. eta vs tors. theta energy: -79.924
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: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -994.780196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.780196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.780196 (E_RNA)
where:
Base-Base interactions energy: -721.658
where: short stacking energy: -275.483
Base-Backbone interact. energy: -0.221
local terms energy: -272.900693
where:
bonds (distance) C4'-P energy: -38.404
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -69.520
flat angles P-C4'-P energy: -36.801
tors. eta vs tors. theta energy: -71.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -877.531849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.531849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.531849 (E_RNA)
where:
Base-Base interactions energy: -594.774
where: short stacking energy: -261.232
Base-Backbone interact. energy: -3.673
local terms energy: -279.084621
where:
bonds (distance) C4'-P energy: -48.709
bonds (distance) P-C4' energy: -52.780
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -53.026
tors. eta vs tors. theta energy: -64.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -741.158524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.158524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.158524 (E_RNA)
where:
Base-Base interactions energy: -489.440
where: short stacking energy: -228.279
Base-Backbone interact. energy: 1.081
local terms energy: -252.799372
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -43.313
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -69.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -801.325103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.325103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.325103 (E_RNA)
where:
Base-Base interactions energy: -555.929
where: short stacking energy: -214.000
Base-Backbone interact. energy: 0.727
local terms energy: -246.122731
where:
bonds (distance) C4'-P energy: -48.092
bonds (distance) P-C4' energy: -58.892
flat angles C4'-P-C4' energy: -54.746
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -52.348
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: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -683.811930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.811930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.811930 (E_RNA)
where:
Base-Base interactions energy: -434.246
where: short stacking energy: -187.203
Base-Backbone interact. energy: -1.266
local terms energy: -248.300116
where:
bonds (distance) C4'-P energy: -51.948
bonds (distance) P-C4' energy: -54.479
flat angles C4'-P-C4' energy: -51.607
flat angles P-C4'-P energy: -40.152
tors. eta vs tors. theta energy: -50.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -337.694963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.694963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.694963 (E_RNA)
where:
Base-Base interactions energy: -152.605
where: short stacking energy: -103.371
Base-Backbone interact. energy: 0.402
local terms energy: -185.492085
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -54.812
flat angles C4'-P-C4' energy: -43.288
flat angles P-C4'-P energy: -28.659
tors. eta vs tors. theta energy: -7.883
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: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1113.381539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.381539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.381539 (E_RNA)
where:
Base-Base interactions energy: -775.725
where: short stacking energy: -335.817
Base-Backbone interact. energy: -0.679
local terms energy: -336.976819
where:
bonds (distance) C4'-P energy: -58.637
bonds (distance) P-C4' energy: -65.340
flat angles C4'-P-C4' energy: -66.543
flat angles P-C4'-P energy: -51.342
tors. eta vs tors. theta energy: -95.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1054.737519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.737519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.737519 (E_RNA)
where:
Base-Base interactions energy: -733.129
where: short stacking energy: -328.843
Base-Backbone interact. energy: -2.305
local terms energy: -319.303127
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -62.145
flat angles C4'-P-C4' energy: -64.570
flat angles P-C4'-P energy: -47.723
tors. eta vs tors. theta energy: -93.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -994.934698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.934698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.934698 (E_RNA)
where:
Base-Base interactions energy: -704.022
where: short stacking energy: -309.180
Base-Backbone interact. energy: -1.296
local terms energy: -289.615947
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -47.203
flat angles C4'-P-C4' energy: -61.833
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -84.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -997.298194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.298194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.298194 (E_RNA)
where:
Base-Base interactions energy: -686.735
where: short stacking energy: -305.070
Base-Backbone interact. energy: -1.699
local terms energy: -308.864406
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -58.387
flat angles C4'-P-C4' energy: -64.043
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -80.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -981.740055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.740055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.740055 (E_RNA)
where:
Base-Base interactions energy: -719.658
where: short stacking energy: -276.489
Base-Backbone interact. energy: -0.630
local terms energy: -261.451489
where:
bonds (distance) C4'-P energy: -44.099
bonds (distance) P-C4' energy: -57.219
flat angles C4'-P-C4' energy: -57.573
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -70.755
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: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -840.059782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.059782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.059782 (E_RNA)
where:
Base-Base interactions energy: -571.361
where: short stacking energy: -248.136
Base-Backbone interact. energy: -0.447
local terms energy: -268.251657
where:
bonds (distance) C4'-P energy: -62.107
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -53.459
flat angles P-C4'-P energy: -32.002
tors. eta vs tors. theta energy: -62.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -866.125903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.125903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.125903 (E_RNA)
where:
Base-Base interactions energy: -597.781
where: short stacking energy: -257.215
Base-Backbone interact. energy: -0.486
local terms energy: -267.859149
where:
bonds (distance) C4'-P energy: -54.259
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -59.419
flat angles P-C4'-P energy: -33.050
tors. eta vs tors. theta energy: -68.125
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: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -692.273523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.273523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.273523 (E_RNA)
where:
Base-Base interactions energy: -463.506
where: short stacking energy: -201.496
Base-Backbone interact. energy: 0.105
local terms energy: -228.872890
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -55.089
flat angles C4'-P-C4' energy: -51.962
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -43.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -671.723980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.723980 (E_RNA)
where:
Base-Base interactions energy: -466.255
where: short stacking energy: -208.823
Base-Backbone interact. energy: 0.837
local terms energy: -206.305352
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -43.160
flat angles P-C4'-P energy: -34.616
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: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -332.987222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.987222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.987222 (E_RNA)
where:
Base-Base interactions energy: -168.843
where: short stacking energy: -115.356
Base-Backbone interact. energy: -1.799
local terms energy: -162.344823
where:
bonds (distance) C4'-P energy: -45.200
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -43.592
flat angles P-C4'-P energy: -25.896
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1099.878391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.878391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.878391 (E_RNA)
where:
Base-Base interactions energy: -771.291
where: short stacking energy: -327.904
Base-Backbone interact. energy: -1.194
local terms energy: -327.393252
where:
bonds (distance) C4'-P energy: -59.827
bonds (distance) P-C4' energy: -64.563
flat angles C4'-P-C4' energy: -58.814
flat angles P-C4'-P energy: -51.263
tors. eta vs tors. theta energy: -92.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1066.825905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.825905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.825905 (E_RNA)
where:
Base-Base interactions energy: -742.065
where: short stacking energy: -332.299
Base-Backbone interact. energy: 0.607
local terms energy: -325.367233
where:
bonds (distance) C4'-P energy: -61.068
bonds (distance) P-C4' energy: -58.503
flat angles C4'-P-C4' energy: -67.272
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -94.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -996.853595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.853595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.853595 (E_RNA)
where:
Base-Base interactions energy: -667.100
where: short stacking energy: -309.242
Base-Backbone interact. energy: -1.496
local terms energy: -328.258055
where:
bonds (distance) C4'-P energy: -64.342
bonds (distance) P-C4' energy: -68.345
flat angles C4'-P-C4' energy: -65.570
flat angles P-C4'-P energy: -44.702
tors. eta vs tors. theta energy: -85.298
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: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -991.318450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.318450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.318450 (E_RNA)
where:
Base-Base interactions energy: -701.222
where: short stacking energy: -286.436
Base-Backbone interact. energy: -1.495
local terms energy: -288.601594
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -66.869
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: -75.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -978.376850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.376850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.376850 (E_RNA)
where:
Base-Base interactions energy: -658.525
where: short stacking energy: -284.773
Base-Backbone interact. energy: -0.922
local terms energy: -318.930147
where:
bonds (distance) C4'-P energy: -51.721
bonds (distance) P-C4' energy: -66.719
flat angles C4'-P-C4' energy: -67.261
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -90.332
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: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -869.849773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.849773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.849773 (E_RNA)
where:
Base-Base interactions energy: -598.066
where: short stacking energy: -270.265
Base-Backbone interact. energy: -1.864
local terms energy: -269.920284
where:
bonds (distance) C4'-P energy: -39.993
bonds (distance) P-C4' energy: -56.889
flat angles C4'-P-C4' energy: -55.691
flat angles P-C4'-P energy: -46.350
tors. eta vs tors. theta energy: -70.999
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: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -831.376660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.376660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.376660 (E_RNA)
where:
Base-Base interactions energy: -566.392
where: short stacking energy: -241.187
Base-Backbone interact. energy: -0.439
local terms energy: -264.545639
where:
bonds (distance) C4'-P energy: -54.018
bonds (distance) P-C4' energy: -61.746
flat angles C4'-P-C4' energy: -50.584
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -56.220
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: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -703.841018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.841018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.841018 (E_RNA)
where:
Base-Base interactions energy: -476.658
where: short stacking energy: -191.510
Base-Backbone interact. energy: -2.283
local terms energy: -224.899407
where:
bonds (distance) C4'-P energy: -53.656
bonds (distance) P-C4' energy: -41.934
flat angles C4'-P-C4' energy: -50.377
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -39.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -714.443683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.443683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.443683 (E_RNA)
where:
Base-Base interactions energy: -486.885
where: short stacking energy: -213.800
Base-Backbone interact. energy: -1.598
local terms energy: -225.961115
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -53.302
flat angles C4'-P-C4' energy: -48.170
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: -48.620
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: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -268.057817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.057817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.057817 (E_RNA)
where:
Base-Base interactions energy: -95.978
where: short stacking energy: -85.719
Base-Backbone interact. energy: 1.701
local terms energy: -173.780644
where:
bonds (distance) C4'-P energy: -55.168
bonds (distance) P-C4' energy: -45.228
flat angles C4'-P-C4' energy: -40.583
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: 3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1089.060243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.060243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.060243 (E_RNA)
where:
Base-Base interactions energy: -750.856
where: short stacking energy: -331.186
Base-Backbone interact. energy: -1.438
local terms energy: -336.765968
where:
bonds (distance) C4'-P energy: -63.448
bonds (distance) P-C4' energy: -65.344
flat angles C4'-P-C4' energy: -71.862
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -97.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1088.367507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.367507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.367507 (E_RNA)
where:
Base-Base interactions energy: -764.704
where: short stacking energy: -341.332
Base-Backbone interact. energy: 3.268
local terms energy: -326.931180
where:
bonds (distance) C4'-P energy: -61.568
bonds (distance) P-C4' energy: -58.290
flat angles C4'-P-C4' energy: -66.988
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -95.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1000.265073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.265073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.265073 (E_RNA)
where:
Base-Base interactions energy: -687.721
where: short stacking energy: -310.484
Base-Backbone interact. energy: -1.706
local terms energy: -310.838271
where:
bonds (distance) C4'-P energy: -54.544
bonds (distance) P-C4' energy: -57.229
flat angles C4'-P-C4' energy: -67.025
flat angles P-C4'-P energy: -46.352
tors. eta vs tors. theta energy: -85.688
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: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -998.505720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.505720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.505720 (E_RNA)
where:
Base-Base interactions energy: -712.718
where: short stacking energy: -289.810
Base-Backbone interact. energy: 1.118
local terms energy: -286.905139
where:
bonds (distance) C4'-P energy: -57.285
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -61.731
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -75.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -941.278291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.278291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.278291 (E_RNA)
where:
Base-Base interactions energy: -631.695
where: short stacking energy: -272.192
Base-Backbone interact. energy: -0.037
local terms energy: -309.546414
where:
bonds (distance) C4'-P energy: -61.390
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -71.243
flat angles P-C4'-P energy: -41.297
tors. eta vs tors. theta energy: -81.398
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: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -880.436163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.436163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.436163 (E_RNA)
where:
Base-Base interactions energy: -620.973
where: short stacking energy: -262.560
Base-Backbone interact. energy: -0.360
local terms energy: -259.102943
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -56.681
flat angles P-C4'-P energy: -34.470
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: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -820.680320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.680320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.680320 (E_RNA)
where:
Base-Base interactions energy: -553.638
where: short stacking energy: -230.142
Base-Backbone interact. energy: 1.963
local terms energy: -269.004882
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -61.056
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -54.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -735.959424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.959424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.959424 (E_RNA)
where:
Base-Base interactions energy: -476.699
where: short stacking energy: -220.335
Base-Backbone interact. energy: -1.364
local terms energy: -257.896177
where:
bonds (distance) C4'-P energy: -57.085
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -57.469
flat angles P-C4'-P energy: -39.624
tors. eta vs tors. theta energy: -51.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -686.788178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.788178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.788178 (E_RNA)
where:
Base-Base interactions energy: -485.699
where: short stacking energy: -221.211
Base-Backbone interact. energy: -0.411
local terms energy: -200.678337
where:
bonds (distance) C4'-P energy: -37.415
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -60.801
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -39.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -265.780955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.780955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.780955 (E_RNA)
where:
Base-Base interactions energy: -121.132
where: short stacking energy: -69.755
Base-Backbone interact. energy: 2.145
local terms energy: -146.794070
where:
bonds (distance) C4'-P energy: -51.728
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: 18.955
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: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1100.355205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.355205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.355205 (E_RNA)
where:
Base-Base interactions energy: -765.009
where: short stacking energy: -325.235
Base-Backbone interact. energy: 0.408
local terms energy: -335.755108
where:
bonds (distance) C4'-P energy: -60.171
bonds (distance) P-C4' energy: -64.849
flat angles C4'-P-C4' energy: -71.906
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -95.608
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: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1075.779164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.779164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.779164 (E_RNA)
where:
Base-Base interactions energy: -737.489
where: short stacking energy: -329.374
Base-Backbone interact. energy: -1.417
local terms energy: -336.873576
where:
bonds (distance) C4'-P energy: -52.943
bonds (distance) P-C4' energy: -66.609
flat angles C4'-P-C4' energy: -74.167
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: -96.481
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: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1020.448051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.448051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.448051 (E_RNA)
where:
Base-Base interactions energy: -687.011
where: short stacking energy: -304.756
Base-Backbone interact. energy: -0.403
local terms energy: -333.033617
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -64.227
flat angles C4'-P-C4' energy: -73.397
flat angles P-C4'-P energy: -53.132
tors. eta vs tors. theta energy: -87.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -978.043456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.043456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.043456 (E_RNA)
where:
Base-Base interactions energy: -686.885
where: short stacking energy: -289.250
Base-Backbone interact. energy: -1.551
local terms energy: -289.607619
where:
bonds (distance) C4'-P energy: -54.630
bonds (distance) P-C4' energy: -65.474
flat angles C4'-P-C4' energy: -60.197
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: -72.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -921.554439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.554439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.554439 (E_RNA)
where:
Base-Base interactions energy: -643.411
where: short stacking energy: -281.560
Base-Backbone interact. energy: -1.970
local terms energy: -276.172888
where:
bonds (distance) C4'-P energy: -48.299
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -56.217
flat angles P-C4'-P energy: -38.720
tors. eta vs tors. theta energy: -75.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -861.980279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.980279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.980279 (E_RNA)
where:
Base-Base interactions energy: -590.481
where: short stacking energy: -250.488
Base-Backbone interact. energy: -1.476
local terms energy: -270.022893
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -43.597
flat angles C4'-P-C4' energy: -60.219
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -75.759
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: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -835.005004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.005004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.005004 (E_RNA)
where:
Base-Base interactions energy: -579.842
where: short stacking energy: -257.442
Base-Backbone interact. energy: -1.228
local terms energy: -253.935930
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -54.280
flat angles C4'-P-C4' energy: -65.994
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -63.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -744.584031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.584031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.584031 (E_RNA)
where:
Base-Base interactions energy: -507.997
where: short stacking energy: -222.130
Base-Backbone interact. energy: 0.010
local terms energy: -236.596927
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -66.238
flat angles C4'-P-C4' energy: -51.119
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -54.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -692.639204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.639204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.639204 (E_RNA)
where:
Base-Base interactions energy: -469.743
where: short stacking energy: -214.535
Base-Backbone interact. energy: -1.774
local terms energy: -221.122337
where:
bonds (distance) C4'-P energy: -38.016
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -57.466
flat angles P-C4'-P energy: -35.679
tors. eta vs tors. theta energy: -49.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -265.437923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.437923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.437923 (E_RNA)
where:
Base-Base interactions energy: -103.349
where: short stacking energy: -78.871
Base-Backbone interact. energy: -0.169
local terms energy: -161.920087
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -33.565
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: 1.542
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: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1094.489648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.489648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.489648 (E_RNA)
where:
Base-Base interactions energy: -753.061
where: short stacking energy: -323.077
Base-Backbone interact. energy: -1.261
local terms energy: -340.167653
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -61.573
flat angles C4'-P-C4' energy: -71.846
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -98.450
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: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1066.303165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.303165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.303165 (E_RNA)
where:
Base-Base interactions energy: -751.585
where: short stacking energy: -327.879
Base-Backbone interact. energy: 0.460
local terms energy: -315.177827
where:
bonds (distance) C4'-P energy: -61.613
bonds (distance) P-C4' energy: -63.004
flat angles C4'-P-C4' energy: -67.638
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -90.637
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: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1018.057293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.057293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.057293 (E_RNA)
where:
Base-Base interactions energy: -698.089
where: short stacking energy: -304.862
Base-Backbone interact. energy: -2.093
local terms energy: -317.876039
where:
bonds (distance) C4'-P energy: -59.415
bonds (distance) P-C4' energy: -60.213
flat angles C4'-P-C4' energy: -64.816
flat angles P-C4'-P energy: -45.132
tors. eta vs tors. theta energy: -88.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -999.688683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.688683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.688683 (E_RNA)
where:
Base-Base interactions energy: -728.830
where: short stacking energy: -295.897
Base-Backbone interact. energy: -0.638
local terms energy: -270.220040
where:
bonds (distance) C4'-P energy: -48.413
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -51.522
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -73.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -947.884939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.884939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.884939 (E_RNA)
where:
Base-Base interactions energy: -652.779
where: short stacking energy: -307.095
Base-Backbone interact. energy: -1.645
local terms energy: -293.460548
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -56.287
flat angles C4'-P-C4' energy: -65.378
flat angles P-C4'-P energy: -44.030
tors. eta vs tors. theta energy: -77.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -916.665618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.665618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.665618 (E_RNA)
where:
Base-Base interactions energy: -628.472
where: short stacking energy: -285.827
Base-Backbone interact. energy: -0.145
local terms energy: -288.048243
where:
bonds (distance) C4'-P energy: -55.227
bonds (distance) P-C4' energy: -58.674
flat angles C4'-P-C4' energy: -56.611
flat angles P-C4'-P energy: -40.701
tors. eta vs tors. theta energy: -76.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -861.653165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.653165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.653165 (E_RNA)
where:
Base-Base interactions energy: -573.985
where: short stacking energy: -256.631
Base-Backbone interact. energy: -0.323
local terms energy: -287.345178
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -55.906
flat angles C4'-P-C4' energy: -64.254
flat angles P-C4'-P energy: -41.134
tors. eta vs tors. theta energy: -75.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -694.923720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.923720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.923720 (E_RNA)
where:
Base-Base interactions energy: -460.324
where: short stacking energy: -195.446
Base-Backbone interact. energy: 0.158
local terms energy: -234.758150
where:
bonds (distance) C4'-P energy: -54.070
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -51.197
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -38.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -674.227541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.227541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.227541 (E_RNA)
where:
Base-Base interactions energy: -458.838
where: short stacking energy: -204.169
Base-Backbone interact. energy: -1.407
local terms energy: -213.981909
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: -43.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -273.342836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.342836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.342836 (E_RNA)
where:
Base-Base interactions energy: -100.396
where: short stacking energy: -82.826
Base-Backbone interact. energy: -2.778
local terms energy: -170.168598
where:
bonds (distance) C4'-P energy: -48.001
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1106.090772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.090772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.090772 (E_RNA)
where:
Base-Base interactions energy: -758.863
where: short stacking energy: -317.331
Base-Backbone interact. energy: 0.832
local terms energy: -348.059551
where:
bonds (distance) C4'-P energy: -59.936
bonds (distance) P-C4' energy: -61.492
flat angles C4'-P-C4' energy: -73.343
flat angles P-C4'-P energy: -53.684
tors. eta vs tors. theta energy: -99.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1074.865903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.865903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.865903 (E_RNA)
where:
Base-Base interactions energy: -748.220
where: short stacking energy: -328.954
Base-Backbone interact. energy: 2.423
local terms energy: -329.068507
where:
bonds (distance) C4'-P energy: -62.801
bonds (distance) P-C4' energy: -60.776
flat angles C4'-P-C4' energy: -65.308
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -98.741
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: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1030.449575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.449575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.449575 (E_RNA)
where:
Base-Base interactions energy: -709.416
where: short stacking energy: -312.343
Base-Backbone interact. energy: -0.057
local terms energy: -320.976792
where:
bonds (distance) C4'-P energy: -59.481
bonds (distance) P-C4' energy: -67.771
flat angles C4'-P-C4' energy: -62.051
flat angles P-C4'-P energy: -43.619
tors. eta vs tors. theta energy: -88.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1015.137496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.137496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.137496 (E_RNA)
where:
Base-Base interactions energy: -714.212
where: short stacking energy: -294.366
Base-Backbone interact. energy: -1.289
local terms energy: -299.635964
where:
bonds (distance) C4'-P energy: -51.925
bonds (distance) P-C4' energy: -59.389
flat angles C4'-P-C4' energy: -67.993
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -75.226
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: 267
Temperature: 1.100000
Total energy: -936.259340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.259340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.259340 (E_RNA)
where:
Base-Base interactions energy: -659.403
where: short stacking energy: -286.679
Base-Backbone interact. energy: -1.424
local terms energy: -275.432458
where:
bonds (distance) C4'-P energy: -46.315
bonds (distance) P-C4' energy: -59.000
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -32.173
tors. eta vs tors. theta energy: -81.984
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: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -848.487924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.487924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.487924 (E_RNA)
where:
Base-Base interactions energy: -583.031
where: short stacking energy: -255.217
Base-Backbone interact. energy: 0.899
local terms energy: -266.355523
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -48.233
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -63.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -832.679830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.679830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.679830 (E_RNA)
where:
Base-Base interactions energy: -562.718
where: short stacking energy: -267.118
Base-Backbone interact. energy: -1.174
local terms energy: -268.788748
where:
bonds (distance) C4'-P energy: -52.011
bonds (distance) P-C4' energy: -58.225
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -32.945
tors. eta vs tors. theta energy: -74.890
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: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -680.781699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.781699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.781699 (E_RNA)
where:
Base-Base interactions energy: -441.513
where: short stacking energy: -198.343
Base-Backbone interact. energy: -1.343
local terms energy: -237.925622
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -63.044
flat angles C4'-P-C4' energy: -55.270
flat angles P-C4'-P energy: -31.560
tors. eta vs tors. theta energy: -39.254
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: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -686.664167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.664167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.664167 (E_RNA)
where:
Base-Base interactions energy: -460.755
where: short stacking energy: -199.109
Base-Backbone interact. energy: -1.196
local terms energy: -224.712325
where:
bonds (distance) C4'-P energy: -59.761
bonds (distance) P-C4' energy: -49.321
flat angles C4'-P-C4' energy: -55.621
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -38.756
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: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -281.969148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.969148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.969148 (E_RNA)
where:
Base-Base interactions energy: -116.939
where: short stacking energy: -82.683
Base-Backbone interact. energy: 1.658
local terms energy: -166.688764
where:
bonds (distance) C4'-P energy: -47.300
bonds (distance) P-C4' energy: -58.370
flat angles C4'-P-C4' energy: -40.327
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: 2.318
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: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1109.273602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.273602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.273602 (E_RNA)
where:
Base-Base interactions energy: -766.799
where: short stacking energy: -328.477
Base-Backbone interact. energy: -0.521
local terms energy: -341.954044
where:
bonds (distance) C4'-P energy: -58.641
bonds (distance) P-C4' energy: -61.747
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -49.219
tors. eta vs tors. theta energy: -99.659
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: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1074.106747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.106747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.106747 (E_RNA)
where:
Base-Base interactions energy: -767.088
where: short stacking energy: -353.045
Base-Backbone interact. energy: 0.878
local terms energy: -307.895830
where:
bonds (distance) C4'-P energy: -57.353
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -66.257
flat angles P-C4'-P energy: -35.980
tors. eta vs tors. theta energy: -98.700
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: 268
Temperature: 1.000000
Total energy: -1006.449546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.449546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.449546 (E_RNA)
where:
Base-Base interactions energy: -719.264
where: short stacking energy: -288.805
Base-Backbone interact. energy: -1.226
local terms energy: -285.959361
where:
bonds (distance) C4'-P energy: -50.953
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -66.344
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -74.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1002.404191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.404191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.404191 (E_RNA)
where:
Base-Base interactions energy: -694.357
where: short stacking energy: -312.091
Base-Backbone interact. energy: -2.009
local terms energy: -306.038113
where:
bonds (distance) C4'-P energy: -54.874
bonds (distance) P-C4' energy: -47.621
flat angles C4'-P-C4' energy: -71.399
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -89.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -951.142425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.142425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.142425 (E_RNA)
where:
Base-Base interactions energy: -660.937
where: short stacking energy: -291.021
Base-Backbone interact. energy: -2.925
local terms energy: -287.280616
where:
bonds (distance) C4'-P energy: -53.912
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -79.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -876.661955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.661955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.661955 (E_RNA)
where:
Base-Base interactions energy: -585.505
where: short stacking energy: -256.293
Base-Backbone interact. energy: -2.367
local terms energy: -288.790685
where:
bonds (distance) C4'-P energy: -63.078
bonds (distance) P-C4' energy: -61.870
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -70.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -842.163479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.163479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.163479 (E_RNA)
where:
Base-Base interactions energy: -572.429
where: short stacking energy: -251.552
Base-Backbone interact. energy: -2.699
local terms energy: -267.035223
where:
bonds (distance) C4'-P energy: -40.044
bonds (distance) P-C4' energy: -69.241
flat angles C4'-P-C4' energy: -51.863
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -69.151
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: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -686.523571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.523571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.523571 (E_RNA)
where:
Base-Base interactions energy: -460.461
where: short stacking energy: -214.556
Base-Backbone interact. energy: 0.561
local terms energy: -226.624113
where:
bonds (distance) C4'-P energy: -40.109
bonds (distance) P-C4' energy: -57.664
flat angles C4'-P-C4' energy: -43.443
flat angles P-C4'-P energy: -44.129
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -689.311048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.311048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.311048 (E_RNA)
where:
Base-Base interactions energy: -458.810
where: short stacking energy: -195.785
Base-Backbone interact. energy: 1.807
local terms energy: -232.308015
where:
bonds (distance) C4'-P energy: -51.595
bonds (distance) P-C4' energy: -52.451
flat angles C4'-P-C4' energy: -51.651
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -41.245
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: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -282.429601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.429601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.429601 (E_RNA)
where:
Base-Base interactions energy: -110.434
where: short stacking energy: -95.971
Base-Backbone interact. energy: -0.303
local terms energy: -171.692734
where:
bonds (distance) C4'-P energy: -52.180
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -45.153
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -6.300
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: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1100.698080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.698080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.698080 (E_RNA)
where:
Base-Base interactions energy: -780.990
where: short stacking energy: -332.490
Base-Backbone interact. energy: 0.319
local terms energy: -320.027721
where:
bonds (distance) C4'-P energy: -52.084
bonds (distance) P-C4' energy: -62.459
flat angles C4'-P-C4' energy: -63.264
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: -97.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1072.436650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.436650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.436650 (E_RNA)
where:
Base-Base interactions energy: -775.058
where: short stacking energy: -351.152
Base-Backbone interact. energy: -2.552
local terms energy: -294.826636
where:
bonds (distance) C4'-P energy: -52.181
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -35.396
tors. eta vs tors. theta energy: -90.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1045.598607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.598607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.598607 (E_RNA)
where:
Base-Base interactions energy: -745.516
where: short stacking energy: -306.803
Base-Backbone interact. energy: -0.169
local terms energy: -299.914035
where:
bonds (distance) C4'-P energy: -53.803
bonds (distance) P-C4' energy: -62.356
flat angles C4'-P-C4' energy: -67.489
flat angles P-C4'-P energy: -44.234
tors. eta vs tors. theta energy: -72.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -980.044713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.044713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.044713 (E_RNA)
where:
Base-Base interactions energy: -675.797
where: short stacking energy: -316.527
Base-Backbone interact. energy: 2.121
local terms energy: -306.369427
where:
bonds (distance) C4'-P energy: -53.135
bonds (distance) P-C4' energy: -51.548
flat angles C4'-P-C4' energy: -65.718
flat angles P-C4'-P energy: -47.945
tors. eta vs tors. theta energy: -88.023
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: 269
Temperature: 1.100000
Total energy: -931.490965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.490965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.490965 (E_RNA)
where:
Base-Base interactions energy: -656.836
where: short stacking energy: -271.566
Base-Backbone interact. energy: -0.422
local terms energy: -274.233315
where:
bonds (distance) C4'-P energy: -48.528
bonds (distance) P-C4' energy: -53.126
flat angles C4'-P-C4' energy: -66.013
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -60.701
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: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -870.647053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.647053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.647053 (E_RNA)
where:
Base-Base interactions energy: -579.546
where: short stacking energy: -255.467
Base-Backbone interact. energy: -1.198
local terms energy: -289.902766
where:
bonds (distance) C4'-P energy: -56.292
bonds (distance) P-C4' energy: -52.159
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -49.226
tors. eta vs tors. theta energy: -70.146
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: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -838.960759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.960759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.960759 (E_RNA)
where:
Base-Base interactions energy: -564.454
where: short stacking energy: -279.591
Base-Backbone interact. energy: -0.880
local terms energy: -273.626050
where:
bonds (distance) C4'-P energy: -56.940
bonds (distance) P-C4' energy: -43.736
flat angles C4'-P-C4' energy: -66.874
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -72.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -728.873445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.873445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.873445 (E_RNA)
where:
Base-Base interactions energy: -493.199
where: short stacking energy: -227.043
Base-Backbone interact. energy: -0.720
local terms energy: -234.954320
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -54.533
flat angles P-C4'-P energy: -30.937
tors. eta vs tors. theta energy: -51.728
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: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -694.041634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.041634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.041634 (E_RNA)
where:
Base-Base interactions energy: -460.597
where: short stacking energy: -199.100
Base-Backbone interact. energy: -0.055
local terms energy: -233.389082
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -61.156
flat angles C4'-P-C4' energy: -62.330
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -37.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -265.217341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.217341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.217341 (E_RNA)
where:
Base-Base interactions energy: -98.892
where: short stacking energy: -85.299
Base-Backbone interact. energy: 1.338
local terms energy: -167.663079
where:
bonds (distance) C4'-P energy: -41.218
bonds (distance) P-C4' energy: -63.941
flat angles C4'-P-C4' energy: -46.573
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: 10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1103.730109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.730109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.730109 (E_RNA)
where:
Base-Base interactions energy: -768.810
where: short stacking energy: -339.868
Base-Backbone interact. energy: -1.051
local terms energy: -333.869435
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -61.048
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -50.917
tors. eta vs tors. theta energy: -97.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1070.776500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.776500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.776500 (E_RNA)
where:
Base-Base interactions energy: -747.355
where: short stacking energy: -329.224
Base-Backbone interact. energy: -1.098
local terms energy: -322.323243
where:
bonds (distance) C4'-P energy: -60.194
bonds (distance) P-C4' energy: -53.641
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -92.877
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: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1044.647779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.647779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.647779 (E_RNA)
where:
Base-Base interactions energy: -744.592
where: short stacking energy: -309.714
Base-Backbone interact. energy: 1.213
local terms energy: -301.268424
where:
bonds (distance) C4'-P energy: -45.496
bonds (distance) P-C4' energy: -64.376
flat angles C4'-P-C4' energy: -65.837
flat angles P-C4'-P energy: -50.983
tors. eta vs tors. theta energy: -74.577
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: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1012.395776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.395776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.395776 (E_RNA)
where:
Base-Base interactions energy: -698.008
where: short stacking energy: -303.233
Base-Backbone interact. energy: -0.522
local terms energy: -313.865396
where:
bonds (distance) C4'-P energy: -56.096
bonds (distance) P-C4' energy: -59.446
flat angles C4'-P-C4' energy: -66.894
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -90.736
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: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -925.394562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.394562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.394562 (E_RNA)
where:
Base-Base interactions energy: -625.709
where: short stacking energy: -241.561
Base-Backbone interact. energy: -0.686
local terms energy: -298.999498
where:
bonds (distance) C4'-P energy: -57.261
bonds (distance) P-C4' energy: -66.363
flat angles C4'-P-C4' energy: -64.415
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -65.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -897.485294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.485294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.485294 (E_RNA)
where:
Base-Base interactions energy: -624.895
where: short stacking energy: -272.924
Base-Backbone interact. energy: -2.628
local terms energy: -269.962316
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -53.366
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -67.947
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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -832.112273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.112273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.112273 (E_RNA)
where:
Base-Base interactions energy: -555.336
where: short stacking energy: -259.502
Base-Backbone interact. energy: -1.279
local terms energy: -275.497796
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -50.565
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -71.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -757.666414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.666414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.666414 (E_RNA)
where:
Base-Base interactions energy: -512.250
where: short stacking energy: -219.230
Base-Backbone interact. energy: 2.415
local terms energy: -247.831766
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -55.679
flat angles C4'-P-C4' energy: -49.598
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -59.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -694.408499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.408499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.408499 (E_RNA)
where:
Base-Base interactions energy: -462.365
where: short stacking energy: -195.113
Base-Backbone interact. energy: 1.222
local terms energy: -233.265919
where:
bonds (distance) C4'-P energy: -36.294
bonds (distance) P-C4' energy: -56.285
flat angles C4'-P-C4' energy: -58.328
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -38.136
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: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -266.077442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.077442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.077442 (E_RNA)
where:
Base-Base interactions energy: -93.961
where: short stacking energy: -82.050
Base-Backbone interact. energy: 0.540
local terms energy: -172.656259
where:
bonds (distance) C4'-P energy: -45.502
bonds (distance) P-C4' energy: -47.449
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -31.843
tors. eta vs tors. theta energy: 0.469
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: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1104.508367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.508367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.508367 (E_RNA)
where:
Base-Base interactions energy: -789.517
where: short stacking energy: -342.159
Base-Backbone interact. energy: 0.614
local terms energy: -315.605646
where:
bonds (distance) C4'-P energy: -57.314
bonds (distance) P-C4' energy: -54.524
flat angles C4'-P-C4' energy: -69.727
flat angles P-C4'-P energy: -41.077
tors. eta vs tors. theta energy: -92.964
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: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1078.970754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.970754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.970754 (E_RNA)
where:
Base-Base interactions energy: -766.375
where: short stacking energy: -309.602
Base-Backbone interact. energy: 7.171
local terms energy: -319.767058
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -68.356
flat angles C4'-P-C4' energy: -67.653
flat angles P-C4'-P energy: -44.353
tors. eta vs tors. theta energy: -85.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1024.814463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.814463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.814463 (E_RNA)
where:
Base-Base interactions energy: -713.310
where: short stacking energy: -307.564
Base-Backbone interact. energy: 0.988
local terms energy: -312.492385
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -59.569
flat angles C4'-P-C4' energy: -62.750
flat angles P-C4'-P energy: -42.089
tors. eta vs tors. theta energy: -90.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -965.687643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.687643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.687643 (E_RNA)
where:
Base-Base interactions energy: -654.870
where: short stacking energy: -268.003
Base-Backbone interact. energy: -1.579
local terms energy: -309.238836
where:
bonds (distance) C4'-P energy: -55.166
bonds (distance) P-C4' energy: -58.212
flat angles C4'-P-C4' energy: -65.449
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -85.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -981.720218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.720218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.720218 (E_RNA)
where:
Base-Base interactions energy: -687.999
where: short stacking energy: -284.607
Base-Backbone interact. energy: -1.332
local terms energy: -292.389020
where:
bonds (distance) C4'-P energy: -57.986
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -63.085
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -92.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -865.018299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.018299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.018299 (E_RNA)
where:
Base-Base interactions energy: -584.214
where: short stacking energy: -267.044
Base-Backbone interact. energy: -0.393
local terms energy: -280.411124
where:
bonds (distance) C4'-P energy: -45.402
bonds (distance) P-C4' energy: -55.792
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -44.105
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: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -858.292360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.292360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.292360 (E_RNA)
where:
Base-Base interactions energy: -602.250
where: short stacking energy: -261.162
Base-Backbone interact. energy: -0.395
local terms energy: -255.648078
where:
bonds (distance) C4'-P energy: -57.237
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -59.415
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -63.073
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -712.716418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.716418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.716418 (E_RNA)
where:
Base-Base interactions energy: -484.475
where: short stacking energy: -203.786
Base-Backbone interact. energy: 0.855
local terms energy: -229.095975
where:
bonds (distance) C4'-P energy: -38.341
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -34.140
tors. eta vs tors. theta energy: -50.810
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: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -680.842225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.842225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.842225 (E_RNA)
where:
Base-Base interactions energy: -435.773
where: short stacking energy: -190.324
Base-Backbone interact. energy: -1.171
local terms energy: -243.897811
where:
bonds (distance) C4'-P energy: -56.712
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -56.121
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -39.356
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: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -326.611204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.611204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.611204 (E_RNA)
where:
Base-Base interactions energy: -138.114
where: short stacking energy: -91.544
Base-Backbone interact. energy: -2.309
local terms energy: -186.188349
where:
bonds (distance) C4'-P energy: -56.687
bonds (distance) P-C4' energy: -60.026
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1098.224186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.224186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.224186 (E_RNA)
where:
Base-Base interactions energy: -769.339
where: short stacking energy: -330.021
Base-Backbone interact. energy: 0.403
local terms energy: -329.287818
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -65.725
flat angles P-C4'-P energy: -45.171
tors. eta vs tors. theta energy: -97.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1065.736246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.736246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.736246 (E_RNA)
where:
Base-Base interactions energy: -746.849
where: short stacking energy: -301.101
Base-Backbone interact. energy: -0.764
local terms energy: -318.122901
where:
bonds (distance) C4'-P energy: -64.672
bonds (distance) P-C4' energy: -60.148
flat angles C4'-P-C4' energy: -66.537
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -81.381
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: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1031.837062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.837062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.837062 (E_RNA)
where:
Base-Base interactions energy: -711.157
where: short stacking energy: -316.163
Base-Backbone interact. energy: -0.378
local terms energy: -320.301748
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -60.926
flat angles C4'-P-C4' energy: -60.941
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -97.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -971.636403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.636403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.636403 (E_RNA)
where:
Base-Base interactions energy: -662.450
where: short stacking energy: -287.741
Base-Backbone interact. energy: -0.599
local terms energy: -308.587616
where:
bonds (distance) C4'-P energy: -59.181
bonds (distance) P-C4' energy: -56.591
flat angles C4'-P-C4' energy: -68.170
flat angles P-C4'-P energy: -42.286
tors. eta vs tors. theta energy: -82.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -957.685208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.685208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.685208 (E_RNA)
where:
Base-Base interactions energy: -639.207
where: short stacking energy: -289.698
Base-Backbone interact. energy: -0.482
local terms energy: -317.996697
where:
bonds (distance) C4'-P energy: -59.627
bonds (distance) P-C4' energy: -62.568
flat angles C4'-P-C4' energy: -65.106
flat angles P-C4'-P energy: -47.333
tors. eta vs tors. theta energy: -83.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -861.955855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.955855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.955855 (E_RNA)
where:
Base-Base interactions energy: -588.260
where: short stacking energy: -269.637
Base-Backbone interact. energy: -1.618
local terms energy: -272.078694
where:
bonds (distance) C4'-P energy: -51.480
bonds (distance) P-C4' energy: -52.619
flat angles C4'-P-C4' energy: -60.530
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -68.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -849.782075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.782075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.782075 (E_RNA)
where:
Base-Base interactions energy: -571.387
where: short stacking energy: -251.433
Base-Backbone interact. energy: -0.730
local terms energy: -277.665186
where:
bonds (distance) C4'-P energy: -60.049
bonds (distance) P-C4' energy: -44.635
flat angles C4'-P-C4' energy: -66.693
flat angles P-C4'-P energy: -44.929
tors. eta vs tors. theta energy: -61.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -689.917356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.917356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.917356 (E_RNA)
where:
Base-Base interactions energy: -472.311
where: short stacking energy: -210.710
Base-Backbone interact. energy: 4.849
local terms energy: -222.455451
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -60.505
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -35.087
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: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -689.394478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.394478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.394478 (E_RNA)
where:
Base-Base interactions energy: -446.906
where: short stacking energy: -208.967
Base-Backbone interact. energy: -0.747
local terms energy: -241.741079
where:
bonds (distance) C4'-P energy: -56.592
bonds (distance) P-C4' energy: -48.532
flat angles C4'-P-C4' energy: -47.093
flat angles P-C4'-P energy: -46.390
tors. eta vs tors. theta energy: -43.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -328.912867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.912867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.912867 (E_RNA)
where:
Base-Base interactions energy: -171.888
where: short stacking energy: -80.839
Base-Backbone interact. energy: -0.062
local terms energy: -156.963040
where:
bonds (distance) C4'-P energy: -44.617
bonds (distance) P-C4' energy: -52.158
flat angles C4'-P-C4' energy: -47.916
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: 15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1107.425035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.425035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.425035 (E_RNA)
where:
Base-Base interactions energy: -793.585
where: short stacking energy: -334.606
Base-Backbone interact. energy: -0.841
local terms energy: -312.999303
where:
bonds (distance) C4'-P energy: -53.698
bonds (distance) P-C4' energy: -63.212
flat angles C4'-P-C4' energy: -60.489
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -95.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1070.052775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.052775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.052775 (E_RNA)
where:
Base-Base interactions energy: -753.356
where: short stacking energy: -305.232
Base-Backbone interact. energy: -0.562
local terms energy: -316.134842
where:
bonds (distance) C4'-P energy: -54.334
bonds (distance) P-C4' energy: -55.545
flat angles C4'-P-C4' energy: -73.157
flat angles P-C4'-P energy: -51.197
tors. eta vs tors. theta energy: -81.901
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: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1025.343928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.343928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.343928 (E_RNA)
where:
Base-Base interactions energy: -713.042
where: short stacking energy: -317.480
Base-Backbone interact. energy: -0.668
local terms energy: -311.634543
where:
bonds (distance) C4'-P energy: -58.061
bonds (distance) P-C4' energy: -52.659
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -40.475
tors. eta vs tors. theta energy: -93.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -993.175413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.175413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.175413 (E_RNA)
where:
Base-Base interactions energy: -683.274
where: short stacking energy: -303.620
Base-Backbone interact. energy: -1.452
local terms energy: -308.449074
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -53.976
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -41.222
tors. eta vs tors. theta energy: -87.442
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -966.531599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.531599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.531599 (E_RNA)
where:
Base-Base interactions energy: -672.585
where: short stacking energy: -303.007
Base-Backbone interact. energy: 1.000
local terms energy: -294.946549
where:
bonds (distance) C4'-P energy: -51.752
bonds (distance) P-C4' energy: -54.354
flat angles C4'-P-C4' energy: -52.511
flat angles P-C4'-P energy: -48.387
tors. eta vs tors. theta energy: -87.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -861.630097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.630097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.630097 (E_RNA)
where:
Base-Base interactions energy: -586.791
where: short stacking energy: -260.136
Base-Backbone interact. energy: -1.338
local terms energy: -273.500678
where:
bonds (distance) C4'-P energy: -54.109
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -42.536
tors. eta vs tors. theta energy: -65.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -854.788033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.788033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.788033 (E_RNA)
where:
Base-Base interactions energy: -577.582
where: short stacking energy: -249.755
Base-Backbone interact. energy: -0.658
local terms energy: -276.547911
where:
bonds (distance) C4'-P energy: -61.957
bonds (distance) P-C4' energy: -56.316
flat angles C4'-P-C4' energy: -59.211
flat angles P-C4'-P energy: -33.600
tors. eta vs tors. theta energy: -65.464
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: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -680.130820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.130820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.130820 (E_RNA)
where:
Base-Base interactions energy: -436.805
where: short stacking energy: -191.128
Base-Backbone interact. energy: 1.527
local terms energy: -244.852786
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -45.103
flat angles C4'-P-C4' energy: -51.407
flat angles P-C4'-P energy: -49.444
tors. eta vs tors. theta energy: -47.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -621.741298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.741298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.741298 (E_RNA)
where:
Base-Base interactions energy: -416.543
where: short stacking energy: -171.060
Base-Backbone interact. energy: -1.005
local terms energy: -204.192761
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: -29.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -350.389061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.389061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.389061 (E_RNA)
where:
Base-Base interactions energy: -163.270
where: short stacking energy: -88.815
Base-Backbone interact. energy: -0.177
local terms energy: -186.941122
where:
bonds (distance) C4'-P energy: -53.945
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -41.688
flat angles P-C4'-P energy: -35.633
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1124.054016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.054016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.054016 (E_RNA)
where:
Base-Base interactions energy: -782.639
where: short stacking energy: -351.477
Base-Backbone interact. energy: -0.818
local terms energy: -340.597010
where:
bonds (distance) C4'-P energy: -62.918
bonds (distance) P-C4' energy: -67.732
flat angles C4'-P-C4' energy: -68.420
flat angles P-C4'-P energy: -47.176
tors. eta vs tors. theta energy: -94.351
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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1062.663541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.663541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.663541 (E_RNA)
where:
Base-Base interactions energy: -749.840
where: short stacking energy: -314.513
Base-Backbone interact. energy: -0.149
local terms energy: -312.674445
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -64.438
flat angles C4'-P-C4' energy: -69.862
flat angles P-C4'-P energy: -37.883
tors. eta vs tors. theta energy: -80.121
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: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1051.729829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.729829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.729829 (E_RNA)
where:
Base-Base interactions energy: -745.511
where: short stacking energy: -331.061
Base-Backbone interact. energy: 4.978
local terms energy: -311.197368
where:
bonds (distance) C4'-P energy: -48.370
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -64.790
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: -98.443
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: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -991.066717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.066717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.066717 (E_RNA)
where:
Base-Base interactions energy: -688.443
where: short stacking energy: -322.566
Base-Backbone interact. energy: -0.600
local terms energy: -302.024249
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -71.168
flat angles P-C4'-P energy: -39.970
tors. eta vs tors. theta energy: -86.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -957.991617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.991617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.991617 (E_RNA)
where:
Base-Base interactions energy: -658.024
where: short stacking energy: -273.221
Base-Backbone interact. energy: 0.901
local terms energy: -300.868190
where:
bonds (distance) C4'-P energy: -54.258
bonds (distance) P-C4' energy: -54.534
flat angles C4'-P-C4' energy: -62.472
flat angles P-C4'-P energy: -50.512
tors. eta vs tors. theta energy: -79.093
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: 274
Temperature: 1.150000
Total energy: -878.304283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.304283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.304283 (E_RNA)
where:
Base-Base interactions energy: -590.489
where: short stacking energy: -272.646
Base-Backbone interact. energy: -0.882
local terms energy: -286.932668
where:
bonds (distance) C4'-P energy: -54.666
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -57.303
flat angles P-C4'-P energy: -51.568
tors. eta vs tors. theta energy: -74.874
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: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -857.526937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.526937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.526937 (E_RNA)
where:
Base-Base interactions energy: -583.935
where: short stacking energy: -252.947
Base-Backbone interact. energy: -0.370
local terms energy: -273.222568
where:
bonds (distance) C4'-P energy: -53.030
bonds (distance) P-C4' energy: -53.587
flat angles C4'-P-C4' energy: -62.580
flat angles P-C4'-P energy: -38.075
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: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -713.104950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.104950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.104950 (E_RNA)
where:
Base-Base interactions energy: -473.883
where: short stacking energy: -203.734
Base-Backbone interact. energy: -0.658
local terms energy: -238.564276
where:
bonds (distance) C4'-P energy: -54.928
bonds (distance) P-C4' energy: -54.934
flat angles C4'-P-C4' energy: -49.771
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -44.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -674.844948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.844948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.844948 (E_RNA)
where:
Base-Base interactions energy: -427.222
where: short stacking energy: -206.547
Base-Backbone interact. energy: 1.013
local terms energy: -248.636425
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -55.906
flat angles C4'-P-C4' energy: -53.288
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -45.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -379.822174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.822174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.822174 (E_RNA)
where:
Base-Base interactions energy: -208.254
where: short stacking energy: -114.907
Base-Backbone interact. energy: 0.183
local terms energy: -171.750943
where:
bonds (distance) C4'-P energy: -44.428
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -51.415
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1113.254645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.254645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.254645 (E_RNA)
where:
Base-Base interactions energy: -775.972
where: short stacking energy: -331.805
Base-Backbone interact. energy: -1.457
local terms energy: -335.825729
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -64.064
flat angles C4'-P-C4' energy: -69.244
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -102.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1069.900295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.900295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.900295 (E_RNA)
where:
Base-Base interactions energy: -752.708
where: short stacking energy: -301.339
Base-Backbone interact. energy: -1.638
local terms energy: -315.553597
where:
bonds (distance) C4'-P energy: -64.304
bonds (distance) P-C4' energy: -55.656
flat angles C4'-P-C4' energy: -71.315
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -76.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1042.037269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.037269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.037269 (E_RNA)
where:
Base-Base interactions energy: -723.640
where: short stacking energy: -326.071
Base-Backbone interact. energy: 1.539
local terms energy: -319.936038
where:
bonds (distance) C4'-P energy: -52.904
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -67.146
flat angles P-C4'-P energy: -52.018
tors. eta vs tors. theta energy: -95.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -987.356615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.356615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.356615 (E_RNA)
where:
Base-Base interactions energy: -680.465
where: short stacking energy: -306.216
Base-Backbone interact. energy: -1.498
local terms energy: -305.394232
where:
bonds (distance) C4'-P energy: -59.915
bonds (distance) P-C4' energy: -59.292
flat angles C4'-P-C4' energy: -63.650
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -84.633
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: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -948.755766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.755766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.755766 (E_RNA)
where:
Base-Base interactions energy: -653.507
where: short stacking energy: -270.390
Base-Backbone interact. energy: -0.917
local terms energy: -294.331039
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -53.595
flat angles C4'-P-C4' energy: -58.965
flat angles P-C4'-P energy: -48.727
tors. eta vs tors. theta energy: -82.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -901.462182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.462182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.462182 (E_RNA)
where:
Base-Base interactions energy: -598.949
where: short stacking energy: -261.690
Base-Backbone interact. energy: -0.649
local terms energy: -301.863933
where:
bonds (distance) C4'-P energy: -51.041
bonds (distance) P-C4' energy: -63.879
flat angles C4'-P-C4' energy: -58.173
flat angles P-C4'-P energy: -48.546
tors. eta vs tors. theta energy: -80.225
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: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -847.010780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.010780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.010780 (E_RNA)
where:
Base-Base interactions energy: -593.795
where: short stacking energy: -259.284
Base-Backbone interact. energy: 1.945
local terms energy: -255.160782
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -42.305
flat angles C4'-P-C4' energy: -57.684
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -64.965
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: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -733.406175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.406175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.406175 (E_RNA)
where:
Base-Base interactions energy: -502.143
where: short stacking energy: -225.944
Base-Backbone interact. energy: -0.882
local terms energy: -230.381721
where:
bonds (distance) C4'-P energy: -36.535
bonds (distance) P-C4' energy: -60.625
flat angles C4'-P-C4' energy: -47.896
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -56.047
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: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -618.324553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.324553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.324553 (E_RNA)
where:
Base-Base interactions energy: -406.254
where: short stacking energy: -183.632
Base-Backbone interact. energy: -1.624
local terms energy: -210.447065
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -53.948
flat angles C4'-P-C4' energy: -50.512
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -36.007
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: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -394.716708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.716708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.716708 (E_RNA)
where:
Base-Base interactions energy: -222.083
where: short stacking energy: -116.216
Base-Backbone interact. energy: -1.905
local terms energy: -170.728625
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -56.047
flat angles C4'-P-C4' energy: -44.885
flat angles P-C4'-P energy: -27.978
tors. eta vs tors. theta energy: -3.773
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: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1101.929747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.929747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.929747 (E_RNA)
where:
Base-Base interactions energy: -748.925
where: short stacking energy: -327.845
Base-Backbone interact. energy: -0.666
local terms energy: -352.338160
where:
bonds (distance) C4'-P energy: -67.925
bonds (distance) P-C4' energy: -67.700
flat angles C4'-P-C4' energy: -67.818
flat angles P-C4'-P energy: -46.584
tors. eta vs tors. theta energy: -102.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1054.603397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.603397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.603397 (E_RNA)
where:
Base-Base interactions energy: -738.491
where: short stacking energy: -319.425
Base-Backbone interact. energy: -2.063
local terms energy: -314.048478
where:
bonds (distance) C4'-P energy: -48.990
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -87.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1064.893259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.893259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.893259 (E_RNA)
where:
Base-Base interactions energy: -745.559
where: short stacking energy: -328.570
Base-Backbone interact. energy: -1.803
local terms energy: -317.531261
where:
bonds (distance) C4'-P energy: -55.811
bonds (distance) P-C4' energy: -59.435
flat angles C4'-P-C4' energy: -60.481
flat angles P-C4'-P energy: -46.475
tors. eta vs tors. theta energy: -95.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -996.292094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.292094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.292094 (E_RNA)
where:
Base-Base interactions energy: -697.233
where: short stacking energy: -303.346
Base-Backbone interact. energy: 2.919
local terms energy: -301.977693
where:
bonds (distance) C4'-P energy: -55.790
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -44.335
tors. eta vs tors. theta energy: -84.849
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: 276
Temperature: 1.100000
Total energy: -949.359872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.359872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.359872 (E_RNA)
where:
Base-Base interactions energy: -675.501
where: short stacking energy: -294.235
Base-Backbone interact. energy: 0.959
local terms energy: -274.818224
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -50.718
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -82.569
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: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -861.702217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.702217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.702217 (E_RNA)
where:
Base-Base interactions energy: -586.914
where: short stacking energy: -277.178
Base-Backbone interact. energy: -1.764
local terms energy: -273.024235
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -62.520
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -76.458
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: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -840.612289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.612289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.612289 (E_RNA)
where:
Base-Base interactions energy: -558.388
where: short stacking energy: -242.192
Base-Backbone interact. energy: 0.014
local terms energy: -282.237770
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -68.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -699.865306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.865306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.865306 (E_RNA)
where:
Base-Base interactions energy: -477.430
where: short stacking energy: -213.359
Base-Backbone interact. energy: -0.673
local terms energy: -221.763090
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -684.520931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.520931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.520931 (E_RNA)
where:
Base-Base interactions energy: -445.590
where: short stacking energy: -209.524
Base-Backbone interact. energy: -2.279
local terms energy: -236.652137
where:
bonds (distance) C4'-P energy: -52.522
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -62.178
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -35.817
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: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -390.597387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.597387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.597387 (E_RNA)
where:
Base-Base interactions energy: -218.474
where: short stacking energy: -116.373
Base-Backbone interact. energy: 0.775
local terms energy: -172.899000
where:
bonds (distance) C4'-P energy: -47.227
bonds (distance) P-C4' energy: -58.109
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -11.696
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: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1105.368609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.368609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.368609 (E_RNA)
where:
Base-Base interactions energy: -770.591
where: short stacking energy: -341.696
Base-Backbone interact. energy: -1.067
local terms energy: -333.710421
where:
bonds (distance) C4'-P energy: -56.330
bonds (distance) P-C4' energy: -61.798
flat angles C4'-P-C4' energy: -74.054
flat angles P-C4'-P energy: -40.644
tors. eta vs tors. theta energy: -100.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1057.748987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.748987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.748987 (E_RNA)
where:
Base-Base interactions energy: -749.863
where: short stacking energy: -306.060
Base-Backbone interact. energy: -0.209
local terms energy: -307.676024
where:
bonds (distance) C4'-P energy: -62.841
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -86.311
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1028.980511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.980511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.980511 (E_RNA)
where:
Base-Base interactions energy: -720.311
where: short stacking energy: -329.662
Base-Backbone interact. energy: 0.521
local terms energy: -309.190520
where:
bonds (distance) C4'-P energy: -50.036
bonds (distance) P-C4' energy: -60.815
flat angles C4'-P-C4' energy: -66.532
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -86.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -996.145400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.145400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.145400 (E_RNA)
where:
Base-Base interactions energy: -662.340
where: short stacking energy: -300.009
Base-Backbone interact. energy: 0.157
local terms energy: -333.961873
where:
bonds (distance) C4'-P energy: -65.471
bonds (distance) P-C4' energy: -60.564
flat angles C4'-P-C4' energy: -65.225
flat angles P-C4'-P energy: -51.743
tors. eta vs tors. theta energy: -90.959
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: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -968.260473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.260473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.260473 (E_RNA)
where:
Base-Base interactions energy: -681.254
where: short stacking energy: -297.428
Base-Backbone interact. energy: 1.986
local terms energy: -288.992339
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -56.064
flat angles C4'-P-C4' energy: -67.177
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -80.460
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: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -903.957488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.957488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.957488 (E_RNA)
where:
Base-Base interactions energy: -613.136
where: short stacking energy: -264.078
Base-Backbone interact. energy: -1.458
local terms energy: -289.363090
where:
bonds (distance) C4'-P energy: -49.701
bonds (distance) P-C4' energy: -53.905
flat angles C4'-P-C4' energy: -66.576
flat angles P-C4'-P energy: -40.901
tors. eta vs tors. theta energy: -78.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -845.459615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.459615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.459615 (E_RNA)
where:
Base-Base interactions energy: -563.635
where: short stacking energy: -250.806
Base-Backbone interact. energy: -1.726
local terms energy: -280.098407
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -57.176
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -71.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -726.125757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.125757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.125757 (E_RNA)
where:
Base-Base interactions energy: -469.646
where: short stacking energy: -208.510
Base-Backbone interact. energy: -1.171
local terms energy: -255.308259
where:
bonds (distance) C4'-P energy: -49.641
bonds (distance) P-C4' energy: -62.418
flat angles C4'-P-C4' energy: -52.534
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: -53.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -609.844848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.844848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.844848 (E_RNA)
where:
Base-Base interactions energy: -396.453
where: short stacking energy: -178.969
Base-Backbone interact. energy: -0.693
local terms energy: -212.698672
where:
bonds (distance) C4'-P energy: -44.445
bonds (distance) P-C4' energy: -46.220
flat angles C4'-P-C4' energy: -50.080
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -39.553
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: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -399.124149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.124149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.124149 (E_RNA)
where:
Base-Base interactions energy: -223.866
where: short stacking energy: -117.957
Base-Backbone interact. energy: 2.336
local terms energy: -177.594195
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -56.933
flat angles C4'-P-C4' energy: -41.685
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1125.988495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.988495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.988495 (E_RNA)
where:
Base-Base interactions energy: -790.555
where: short stacking energy: -332.601
Base-Backbone interact. energy: -1.419
local terms energy: -334.013830
where:
bonds (distance) C4'-P energy: -60.393
bonds (distance) P-C4' energy: -63.599
flat angles C4'-P-C4' energy: -72.608
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -98.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1059.521917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.521917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.521917 (E_RNA)
where:
Base-Base interactions energy: -746.536
where: short stacking energy: -315.294
Base-Backbone interact. energy: -0.564
local terms energy: -312.421711
where:
bonds (distance) C4'-P energy: -62.632
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -80.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1048.077722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.077722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.077722 (E_RNA)
where:
Base-Base interactions energy: -723.230
where: short stacking energy: -321.880
Base-Backbone interact. energy: -1.770
local terms energy: -323.077520
where:
bonds (distance) C4'-P energy: -56.428
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -69.912
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: -96.298
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: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -965.401508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.401508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.401508 (E_RNA)
where:
Base-Base interactions energy: -663.180
where: short stacking energy: -304.603
Base-Backbone interact. energy: -1.428
local terms energy: -300.793607
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -86.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -953.626885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.626885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.626885 (E_RNA)
where:
Base-Base interactions energy: -658.573
where: short stacking energy: -290.053
Base-Backbone interact. energy: -1.257
local terms energy: -293.796871
where:
bonds (distance) C4'-P energy: -38.833
bonds (distance) P-C4' energy: -59.913
flat angles C4'-P-C4' energy: -64.876
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -87.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -901.037246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.037246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.037246 (E_RNA)
where:
Base-Base interactions energy: -618.816
where: short stacking energy: -275.042
Base-Backbone interact. energy: -0.710
local terms energy: -281.511237
where:
bonds (distance) C4'-P energy: -51.992
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -61.759
flat angles P-C4'-P energy: -46.901
tors. eta vs tors. theta energy: -73.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -849.467353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.467353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.467353 (E_RNA)
where:
Base-Base interactions energy: -572.018
where: short stacking energy: -247.684
Base-Backbone interact. energy: -1.006
local terms energy: -276.443233
where:
bonds (distance) C4'-P energy: -51.357
bonds (distance) P-C4' energy: -64.390
flat angles C4'-P-C4' energy: -59.132
flat angles P-C4'-P energy: -42.176
tors. eta vs tors. theta energy: -59.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -736.733722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.733722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.733722 (E_RNA)
where:
Base-Base interactions energy: -475.279
where: short stacking energy: -215.686
Base-Backbone interact. energy: -0.363
local terms energy: -261.091737
where:
bonds (distance) C4'-P energy: -50.364
bonds (distance) P-C4' energy: -62.537
flat angles C4'-P-C4' energy: -60.940
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -56.464
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: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -620.877346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.877346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.877346 (E_RNA)
where:
Base-Base interactions energy: -400.759
where: short stacking energy: -187.355
Base-Backbone interact. energy: 0.729
local terms energy: -220.847800
where:
bonds (distance) C4'-P energy: -50.006
bonds (distance) P-C4' energy: -49.347
flat angles C4'-P-C4' energy: -58.636
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -45.076
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: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -431.437290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.437290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.437290 (E_RNA)
where:
Base-Base interactions energy: -232.770
where: short stacking energy: -123.729
Base-Backbone interact. energy: -1.192
local terms energy: -197.475589
where:
bonds (distance) C4'-P energy: -51.503
bonds (distance) P-C4' energy: -60.109
flat angles C4'-P-C4' energy: -44.199
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -21.696
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: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1136.222634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.222634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.222634 (E_RNA)
where:
Base-Base interactions energy: -798.839
where: short stacking energy: -340.647
Base-Backbone interact. energy: -1.985
local terms energy: -335.398407
where:
bonds (distance) C4'-P energy: -58.381
bonds (distance) P-C4' energy: -65.931
flat angles C4'-P-C4' energy: -69.911
flat angles P-C4'-P energy: -37.752
tors. eta vs tors. theta energy: -103.424
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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1073.806731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.806731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.806731 (E_RNA)
where:
Base-Base interactions energy: -759.024
where: short stacking energy: -316.739
Base-Backbone interact. energy: -1.608
local terms energy: -313.175013
where:
bonds (distance) C4'-P energy: -63.612
bonds (distance) P-C4' energy: -50.164
flat angles C4'-P-C4' energy: -70.890
flat angles P-C4'-P energy: -44.882
tors. eta vs tors. theta energy: -83.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1070.496864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.496864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.496864 (E_RNA)
where:
Base-Base interactions energy: -746.152
where: short stacking energy: -339.425
Base-Backbone interact. energy: -0.233
local terms energy: -324.111268
where:
bonds (distance) C4'-P energy: -57.394
bonds (distance) P-C4' energy: -62.887
flat angles C4'-P-C4' energy: -64.689
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -96.739
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1008.756305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.756305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.756305 (E_RNA)
where:
Base-Base interactions energy: -699.061
where: short stacking energy: -306.747
Base-Backbone interact. energy: 0.358
local terms energy: -310.052645
where:
bonds (distance) C4'-P energy: -58.573
bonds (distance) P-C4' energy: -51.835
flat angles C4'-P-C4' energy: -62.049
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -91.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -950.706580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.706580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.706580 (E_RNA)
where:
Base-Base interactions energy: -663.578
where: short stacking energy: -293.824
Base-Backbone interact. energy: -1.922
local terms energy: -285.206633
where:
bonds (distance) C4'-P energy: -46.666
bonds (distance) P-C4' energy: -50.041
flat angles C4'-P-C4' energy: -63.547
flat angles P-C4'-P energy: -46.305
tors. eta vs tors. theta energy: -78.647
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: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -864.612296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.612296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.612296 (E_RNA)
where:
Base-Base interactions energy: -587.890
where: short stacking energy: -256.945
Base-Backbone interact. energy: 0.219
local terms energy: -276.941618
where:
bonds (distance) C4'-P energy: -53.899
bonds (distance) P-C4' energy: -55.565
flat angles C4'-P-C4' energy: -62.078
flat angles P-C4'-P energy: -35.156
tors. eta vs tors. theta energy: -70.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -869.947829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.947829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.947829 (E_RNA)
where:
Base-Base interactions energy: -585.480
where: short stacking energy: -260.959
Base-Backbone interact. energy: -1.773
local terms energy: -282.695022
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -55.694
flat angles C4'-P-C4' energy: -60.753
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -79.119
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: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -691.187958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.187958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.187958 (E_RNA)
where:
Base-Base interactions energy: -449.290
where: short stacking energy: -202.457
Base-Backbone interact. energy: 0.382
local terms energy: -242.280293
where:
bonds (distance) C4'-P energy: -53.351
bonds (distance) P-C4' energy: -43.048
flat angles C4'-P-C4' energy: -60.992
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -50.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -633.916746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.916746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.916746 (E_RNA)
where:
Base-Base interactions energy: -413.068
where: short stacking energy: -196.564
Base-Backbone interact. energy: -1.007
local terms energy: -219.841684
where:
bonds (distance) C4'-P energy: -54.157
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -36.002
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: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -398.860110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.860110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.860110 (E_RNA)
where:
Base-Base interactions energy: -214.845
where: short stacking energy: -131.670
Base-Backbone interact. energy: -1.320
local terms energy: -182.695386
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -49.033
flat angles C4'-P-C4' energy: -44.929
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1122.452292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.452292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.452292 (E_RNA)
where:
Base-Base interactions energy: -771.151
where: short stacking energy: -330.288
Base-Backbone interact. energy: 0.000
local terms energy: -351.300933
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -66.271
flat angles C4'-P-C4' energy: -67.860
flat angles P-C4'-P energy: -49.865
tors. eta vs tors. theta energy: -102.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1075.755400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.755400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.755400 (E_RNA)
where:
Base-Base interactions energy: -765.017
where: short stacking energy: -309.448
Base-Backbone interact. energy: -1.414
local terms energy: -309.324275
where:
bonds (distance) C4'-P energy: -59.606
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -65.707
flat angles P-C4'-P energy: -44.862
tors. eta vs tors. theta energy: -78.459
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: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1015.988353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.988353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.988353 (E_RNA)
where:
Base-Base interactions energy: -710.003
where: short stacking energy: -304.733
Base-Backbone interact. energy: -0.443
local terms energy: -305.543117
where:
bonds (distance) C4'-P energy: -51.228
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -70.224
flat angles P-C4'-P energy: -47.774
tors. eta vs tors. theta energy: -84.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1041.184992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.184992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.184992 (E_RNA)
where:
Base-Base interactions energy: -706.218
where: short stacking energy: -321.337
Base-Backbone interact. energy: -0.982
local terms energy: -333.985413
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -65.203
flat angles P-C4'-P energy: -46.239
tors. eta vs tors. theta energy: -100.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -966.306989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.306989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.306989 (E_RNA)
where:
Base-Base interactions energy: -684.355
where: short stacking energy: -312.685
Base-Backbone interact. energy: -0.275
local terms energy: -281.676589
where:
bonds (distance) C4'-P energy: -43.233
bonds (distance) P-C4' energy: -46.965
flat angles C4'-P-C4' energy: -60.297
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -91.307
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: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -873.565391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.565391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.565391 (E_RNA)
where:
Base-Base interactions energy: -585.445
where: short stacking energy: -248.447
Base-Backbone interact. energy: -1.464
local terms energy: -286.656009
where:
bonds (distance) C4'-P energy: -63.118
bonds (distance) P-C4' energy: -60.194
flat angles C4'-P-C4' energy: -57.690
flat angles P-C4'-P energy: -39.723
tors. eta vs tors. theta energy: -65.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -834.434683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.434683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.434683 (E_RNA)
where:
Base-Base interactions energy: -583.908
where: short stacking energy: -278.895
Base-Backbone interact. energy: -2.454
local terms energy: -248.073565
where:
bonds (distance) C4'-P energy: -46.058
bonds (distance) P-C4' energy: -47.146
flat angles C4'-P-C4' energy: -44.764
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -70.488
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: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -723.804460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.804460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.804460 (E_RNA)
where:
Base-Base interactions energy: -486.268
where: short stacking energy: -209.268
Base-Backbone interact. energy: -1.009
local terms energy: -236.527446
where:
bonds (distance) C4'-P energy: -50.352
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -46.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -640.987581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.987581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.987581 (E_RNA)
where:
Base-Base interactions energy: -409.347
where: short stacking energy: -177.571
Base-Backbone interact. energy: 1.066
local terms energy: -232.707197
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -62.725
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -32.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -425.932597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.932597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.932597 (E_RNA)
where:
Base-Base interactions energy: -239.087
where: short stacking energy: -126.206
Base-Backbone interact. energy: 1.690
local terms energy: -188.535102
where:
bonds (distance) C4'-P energy: -58.642
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -41.323
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -16.039
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: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1131.879527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.879527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.879527 (E_RNA)
where:
Base-Base interactions energy: -779.973
where: short stacking energy: -341.097
Base-Backbone interact. energy: -0.249
local terms energy: -351.658018
where:
bonds (distance) C4'-P energy: -66.148
bonds (distance) P-C4' energy: -66.236
flat angles C4'-P-C4' energy: -71.647
flat angles P-C4'-P energy: -45.777
tors. eta vs tors. theta energy: -101.850
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: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1069.560169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.560169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.560169 (E_RNA)
where:
Base-Base interactions energy: -767.953
where: short stacking energy: -295.816
Base-Backbone interact. energy: 1.213
local terms energy: -302.820029
where:
bonds (distance) C4'-P energy: -55.530
bonds (distance) P-C4' energy: -65.796
flat angles C4'-P-C4' energy: -57.860
flat angles P-C4'-P energy: -47.029
tors. eta vs tors. theta energy: -76.605
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: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -990.892274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.892274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.892274 (E_RNA)
where:
Base-Base interactions energy: -681.999
where: short stacking energy: -296.098
Base-Backbone interact. energy: -0.696
local terms energy: -308.197719
where:
bonds (distance) C4'-P energy: -59.047
bonds (distance) P-C4' energy: -64.650
flat angles C4'-P-C4' energy: -54.159
flat angles P-C4'-P energy: -41.591
tors. eta vs tors. theta energy: -88.751
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: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1002.543146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.543146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.543146 (E_RNA)
where:
Base-Base interactions energy: -694.344
where: short stacking energy: -305.196
Base-Backbone interact. energy: -1.168
local terms energy: -307.031226
where:
bonds (distance) C4'-P energy: -53.529
bonds (distance) P-C4' energy: -58.124
flat angles C4'-P-C4' energy: -65.041
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: -90.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -949.968107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.968107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.968107 (E_RNA)
where:
Base-Base interactions energy: -673.453
where: short stacking energy: -283.802
Base-Backbone interact. energy: 0.825
local terms energy: -277.340518
where:
bonds (distance) C4'-P energy: -56.245
bonds (distance) P-C4' energy: -43.126
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -78.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -894.493609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.493609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.493609 (E_RNA)
where:
Base-Base interactions energy: -617.760
where: short stacking energy: -280.705
Base-Backbone interact. energy: -1.356
local terms energy: -275.377244
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -57.719
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -73.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -815.784497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.784497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.784497 (E_RNA)
where:
Base-Base interactions energy: -569.862
where: short stacking energy: -240.458
Base-Backbone interact. energy: 1.364
local terms energy: -247.286510
where:
bonds (distance) C4'-P energy: -56.739
bonds (distance) P-C4' energy: -49.549
flat angles C4'-P-C4' energy: -46.015
flat angles P-C4'-P energy: -33.294
tors. eta vs tors. theta energy: -61.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -693.315631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.315631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.315631 (E_RNA)
where:
Base-Base interactions energy: -452.414
where: short stacking energy: -210.095
Base-Backbone interact. energy: 1.335
local terms energy: -242.237321
where:
bonds (distance) C4'-P energy: -61.965
bonds (distance) P-C4' energy: -55.964
flat angles C4'-P-C4' energy: -53.012
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -40.115
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -644.829373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.829373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.829373 (E_RNA)
where:
Base-Base interactions energy: -431.003
where: short stacking energy: -198.742
Base-Backbone interact. energy: -0.791
local terms energy: -213.034559
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -46.503
flat angles C4'-P-C4' energy: -57.416
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -40.966
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -443.194958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.194958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.194958 (E_RNA)
where:
Base-Base interactions energy: -265.032
where: short stacking energy: -143.815
Base-Backbone interact. energy: 0.673
local terms energy: -178.836760
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -55.581
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1126.934700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.934700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.934700 (E_RNA)
where:
Base-Base interactions energy: -801.301
where: short stacking energy: -353.358
Base-Backbone interact. energy: -1.233
local terms energy: -324.400245
where:
bonds (distance) C4'-P energy: -55.845
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -99.422
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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1082.965708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.965708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.965708 (E_RNA)
where:
Base-Base interactions energy: -785.912
where: short stacking energy: -317.415
Base-Backbone interact. energy: -2.424
local terms energy: -294.629564
where:
bonds (distance) C4'-P energy: -44.814
bonds (distance) P-C4' energy: -52.956
flat angles C4'-P-C4' energy: -70.210
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -75.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1038.185193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.185193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.185193 (E_RNA)
where:
Base-Base interactions energy: -698.132
where: short stacking energy: -328.343
Base-Backbone interact. energy: -1.855
local terms energy: -338.198610
where:
bonds (distance) C4'-P energy: -65.762
bonds (distance) P-C4' energy: -66.529
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -90.921
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: 282
Temperature: 1.050000
Total energy: -994.862140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.862140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.862140 (E_RNA)
where:
Base-Base interactions energy: -688.589
where: short stacking energy: -311.452
Base-Backbone interact. energy: -0.591
local terms energy: -305.682262
where:
bonds (distance) C4'-P energy: -54.140
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -66.710
flat angles P-C4'-P energy: -50.870
tors. eta vs tors. theta energy: -86.502
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: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -943.137622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.137622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.137622 (E_RNA)
where:
Base-Base interactions energy: -648.443
where: short stacking energy: -286.103
Base-Backbone interact. energy: 0.985
local terms energy: -295.678852
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -64.892
flat angles C4'-P-C4' energy: -66.764
flat angles P-C4'-P energy: -37.453
tors. eta vs tors. theta energy: -75.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -896.994482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.994482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.994482 (E_RNA)
where:
Base-Base interactions energy: -619.332
where: short stacking energy: -279.641
Base-Backbone interact. energy: -1.631
local terms energy: -276.031724
where:
bonds (distance) C4'-P energy: -50.382
bonds (distance) P-C4' energy: -50.354
flat angles C4'-P-C4' energy: -69.140
flat angles P-C4'-P energy: -29.250
tors. eta vs tors. theta energy: -76.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -810.724567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.724567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.724567 (E_RNA)
where:
Base-Base interactions energy: -557.665
where: short stacking energy: -250.395
Base-Backbone interact. energy: -1.308
local terms energy: -251.751088
where:
bonds (distance) C4'-P energy: -55.851
bonds (distance) P-C4' energy: -53.852
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -57.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -704.966684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.966684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.966684 (E_RNA)
where:
Base-Base interactions energy: -476.684
where: short stacking energy: -205.916
Base-Backbone interact. energy: -1.948
local terms energy: -226.334410
where:
bonds (distance) C4'-P energy: -43.136
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -46.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -661.331925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.331925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.331925 (E_RNA)
where:
Base-Base interactions energy: -429.058
where: short stacking energy: -193.729
Base-Backbone interact. energy: 1.842
local terms energy: -234.116429
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -62.440
flat angles C4'-P-C4' energy: -55.897
flat angles P-C4'-P energy: -35.861
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -405.261245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.261245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.261245 (E_RNA)
where:
Base-Base interactions energy: -201.617
where: short stacking energy: -96.929
Base-Backbone interact. energy: -1.186
local terms energy: -202.457804
where:
bonds (distance) C4'-P energy: -49.465
bonds (distance) P-C4' energy: -52.182
flat angles C4'-P-C4' energy: -61.345
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -1.682
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: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1127.835286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.835286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.835286 (E_RNA)
where:
Base-Base interactions energy: -792.384
where: short stacking energy: -339.009
Base-Backbone interact. energy: 0.386
local terms energy: -335.836697
where:
bonds (distance) C4'-P energy: -62.442
bonds (distance) P-C4' energy: -58.945
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: -99.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1053.210587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.210587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.210587 (E_RNA)
where:
Base-Base interactions energy: -749.301
where: short stacking energy: -317.940
Base-Backbone interact. energy: -0.293
local terms energy: -303.616389
where:
bonds (distance) C4'-P energy: -52.354
bonds (distance) P-C4' energy: -64.622
flat angles C4'-P-C4' energy: -62.312
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -82.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1038.128803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.128803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.128803 (E_RNA)
where:
Base-Base interactions energy: -746.368
where: short stacking energy: -315.012
Base-Backbone interact. energy: 0.783
local terms energy: -292.543383
where:
bonds (distance) C4'-P energy: -55.285
bonds (distance) P-C4' energy: -47.349
flat angles C4'-P-C4' energy: -62.455
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -86.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -976.093227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.093227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.093227 (E_RNA)
where:
Base-Base interactions energy: -665.443
where: short stacking energy: -286.425
Base-Backbone interact. energy: -1.117
local terms energy: -309.533491
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -65.976
flat angles P-C4'-P energy: -47.604
tors. eta vs tors. theta energy: -85.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -972.627019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.627019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.627019 (E_RNA)
where:
Base-Base interactions energy: -656.801
where: short stacking energy: -305.692
Base-Backbone interact. energy: -0.615
local terms energy: -315.210210
where:
bonds (distance) C4'-P energy: -56.370
bonds (distance) P-C4' energy: -60.798
flat angles C4'-P-C4' energy: -65.720
flat angles P-C4'-P energy: -41.589
tors. eta vs tors. theta energy: -90.733
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: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -866.559609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.559609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.559609 (E_RNA)
where:
Base-Base interactions energy: -588.611
where: short stacking energy: -253.288
Base-Backbone interact. energy: 0.247
local terms energy: -278.196005
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -62.806
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: -62.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -854.254836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.254836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.254836 (E_RNA)
where:
Base-Base interactions energy: -585.971
where: short stacking energy: -270.088
Base-Backbone interact. energy: -0.523
local terms energy: -267.760121
where:
bonds (distance) C4'-P energy: -36.905
bonds (distance) P-C4' energy: -50.118
flat angles C4'-P-C4' energy: -65.588
flat angles P-C4'-P energy: -39.541
tors. eta vs tors. theta energy: -75.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -659.138876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.138876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.138876 (E_RNA)
where:
Base-Base interactions energy: -427.745
where: short stacking energy: -205.607
Base-Backbone interact. energy: -0.459
local terms energy: -230.935179
where:
bonds (distance) C4'-P energy: -56.660
bonds (distance) P-C4' energy: -55.872
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -39.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -685.231161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.231161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.231161 (E_RNA)
where:
Base-Base interactions energy: -453.096
where: short stacking energy: -196.402
Base-Backbone interact. energy: -1.136
local terms energy: -230.999502
where:
bonds (distance) C4'-P energy: -54.915
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -44.895
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -412.379764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.379764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.379764 (E_RNA)
where:
Base-Base interactions energy: -208.339
where: short stacking energy: -112.917
Base-Backbone interact. energy: -1.452
local terms energy: -202.589382
where:
bonds (distance) C4'-P energy: -58.197
bonds (distance) P-C4' energy: -59.480
flat angles C4'-P-C4' energy: -41.510
flat angles P-C4'-P energy: -41.670
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1133.396981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.396981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.396981 (E_RNA)
where:
Base-Base interactions energy: -789.145
where: short stacking energy: -338.559
Base-Backbone interact. energy: -1.523
local terms energy: -342.728389
where:
bonds (distance) C4'-P energy: -67.193
bonds (distance) P-C4' energy: -64.662
flat angles C4'-P-C4' energy: -72.119
flat angles P-C4'-P energy: -45.267
tors. eta vs tors. theta energy: -93.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1050.710124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.710124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.710124 (E_RNA)
where:
Base-Base interactions energy: -740.102
where: short stacking energy: -303.282
Base-Backbone interact. energy: -1.800
local terms energy: -308.808082
where:
bonds (distance) C4'-P energy: -64.557
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -64.842
flat angles P-C4'-P energy: -49.855
tors. eta vs tors. theta energy: -76.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1070.921775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.921775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.921775 (E_RNA)
where:
Base-Base interactions energy: -744.461
where: short stacking energy: -335.490
Base-Backbone interact. energy: -0.770
local terms energy: -325.691760
where:
bonds (distance) C4'-P energy: -56.124
bonds (distance) P-C4' energy: -58.712
flat angles C4'-P-C4' energy: -65.084
flat angles P-C4'-P energy: -44.944
tors. eta vs tors. theta energy: -100.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -965.907471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.907471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.907471 (E_RNA)
where:
Base-Base interactions energy: -668.586
where: short stacking energy: -275.895
Base-Backbone interact. energy: 0.056
local terms energy: -297.377513
where:
bonds (distance) C4'-P energy: -46.460
bonds (distance) P-C4' energy: -59.285
flat angles C4'-P-C4' energy: -61.103
flat angles P-C4'-P energy: -52.064
tors. eta vs tors. theta energy: -78.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -952.288240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.288240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.288240 (E_RNA)
where:
Base-Base interactions energy: -672.837
where: short stacking energy: -288.387
Base-Backbone interact. energy: 2.658
local terms energy: -282.109275
where:
bonds (distance) C4'-P energy: -40.217
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -62.236
flat angles P-C4'-P energy: -48.206
tors. eta vs tors. theta energy: -78.119
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: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -884.250113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.250113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.250113 (E_RNA)
where:
Base-Base interactions energy: -595.245
where: short stacking energy: -261.121
Base-Backbone interact. energy: 0.031
local terms energy: -289.036348
where:
bonds (distance) C4'-P energy: -57.662
bonds (distance) P-C4' energy: -53.666
flat angles C4'-P-C4' energy: -51.761
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -77.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -889.869897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.869897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.869897 (E_RNA)
where:
Base-Base interactions energy: -607.219
where: short stacking energy: -263.621
Base-Backbone interact. energy: 2.525
local terms energy: -285.176255
where:
bonds (distance) C4'-P energy: -52.188
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -59.693
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -82.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -687.954527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.954527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.954527 (E_RNA)
where:
Base-Base interactions energy: -449.708
where: short stacking energy: -222.268
Base-Backbone interact. energy: 2.250
local terms energy: -240.495930
where:
bonds (distance) C4'-P energy: -44.025
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -53.201
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -54.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -691.165693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.165693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.165693 (E_RNA)
where:
Base-Base interactions energy: -469.741
where: short stacking energy: -205.129
Base-Backbone interact. energy: -0.959
local terms energy: -220.465551
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -49.468
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -45.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -404.805367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.805367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.805367 (E_RNA)
where:
Base-Base interactions energy: -220.331
where: short stacking energy: -129.205
Base-Backbone interact. energy: -0.445
local terms energy: -184.030193
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -40.138
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -13.223
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: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1119.790231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.790231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.790231 (E_RNA)
where:
Base-Base interactions energy: -785.666
where: short stacking energy: -337.251
Base-Backbone interact. energy: -1.537
local terms energy: -332.587258
where:
bonds (distance) C4'-P energy: -57.164
bonds (distance) P-C4' energy: -66.308
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -50.634
tors. eta vs tors. theta energy: -95.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1066.603548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.603548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.603548 (E_RNA)
where:
Base-Base interactions energy: -762.255
where: short stacking energy: -317.778
Base-Backbone interact. energy: -2.103
local terms energy: -302.245256
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -58.419
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -47.434
tors. eta vs tors. theta energy: -78.159
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: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1043.470314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.470314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.470314 (E_RNA)
where:
Base-Base interactions energy: -719.927
where: short stacking energy: -336.610
Base-Backbone interact. energy: 3.489
local terms energy: -327.031570
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -54.968
flat angles C4'-P-C4' energy: -65.496
flat angles P-C4'-P energy: -47.610
tors. eta vs tors. theta energy: -98.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -973.540724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.540724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.540724 (E_RNA)
where:
Base-Base interactions energy: -671.395
where: short stacking energy: -307.657
Base-Backbone interact. energy: -2.639
local terms energy: -299.506857
where:
bonds (distance) C4'-P energy: -51.888
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -65.641
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -84.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -962.332165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.332165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.332165 (E_RNA)
where:
Base-Base interactions energy: -654.111
where: short stacking energy: -288.751
Base-Backbone interact. energy: -1.379
local terms energy: -306.842158
where:
bonds (distance) C4'-P energy: -59.256
bonds (distance) P-C4' energy: -62.148
flat angles C4'-P-C4' energy: -65.193
flat angles P-C4'-P energy: -37.876
tors. eta vs tors. theta energy: -82.368
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: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -868.162050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.162050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.162050 (E_RNA)
where:
Base-Base interactions energy: -592.023
where: short stacking energy: -254.264
Base-Backbone interact. energy: -0.402
local terms energy: -275.736670
where:
bonds (distance) C4'-P energy: -50.790
bonds (distance) P-C4' energy: -55.803
flat angles C4'-P-C4' energy: -60.902
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -66.141
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: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -819.840123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.840123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.840123 (E_RNA)
where:
Base-Base interactions energy: -539.053
where: short stacking energy: -218.203
Base-Backbone interact. energy: 0.537
local terms energy: -281.324322
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -58.919
flat angles C4'-P-C4' energy: -59.917
flat angles P-C4'-P energy: -42.650
tors. eta vs tors. theta energy: -72.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -681.422789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.422789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.422789 (E_RNA)
where:
Base-Base interactions energy: -456.965
where: short stacking energy: -212.652
Base-Backbone interact. energy: -1.112
local terms energy: -223.345716
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -43.084
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -32.253
tors. eta vs tors. theta energy: -44.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -678.018164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.018164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.018164 (E_RNA)
where:
Base-Base interactions energy: -453.050
where: short stacking energy: -205.637
Base-Backbone interact. energy: 0.858
local terms energy: -225.826072
where:
bonds (distance) C4'-P energy: -43.040
bonds (distance) P-C4' energy: -46.364
flat angles C4'-P-C4' energy: -61.024
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: -47.174
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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -415.527681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.527681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.527681 (E_RNA)
where:
Base-Base interactions energy: -245.497
where: short stacking energy: -115.323
Base-Backbone interact. energy: -0.831
local terms energy: -169.199810
where:
bonds (distance) C4'-P energy: -41.348
bonds (distance) P-C4' energy: -53.412
flat angles C4'-P-C4' energy: -51.914
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: 1.182
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: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1111.244875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.244875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.244875 (E_RNA)
where:
Base-Base interactions energy: -770.162
where: short stacking energy: -335.990
Base-Backbone interact. energy: -1.113
local terms energy: -339.970396
where:
bonds (distance) C4'-P energy: -55.619
bonds (distance) P-C4' energy: -70.815
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -44.039
tors. eta vs tors. theta energy: -99.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1050.462516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.462516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.462516 (E_RNA)
where:
Base-Base interactions energy: -757.281
where: short stacking energy: -290.357
Base-Backbone interact. energy: -0.818
local terms energy: -292.363192
where:
bonds (distance) C4'-P energy: -58.464
bonds (distance) P-C4' energy: -57.424
flat angles C4'-P-C4' energy: -64.806
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -74.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1062.806994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.806994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.806994 (E_RNA)
where:
Base-Base interactions energy: -743.162
where: short stacking energy: -340.565
Base-Backbone interact. energy: 1.428
local terms energy: -321.073829
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -49.020
flat angles C4'-P-C4' energy: -67.836
flat angles P-C4'-P energy: -49.522
tors. eta vs tors. theta energy: -100.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -957.987096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.987096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.987096 (E_RNA)
where:
Base-Base interactions energy: -670.201
where: short stacking energy: -282.872
Base-Backbone interact. energy: -3.940
local terms energy: -283.846076
where:
bonds (distance) C4'-P energy: -52.873
bonds (distance) P-C4' energy: -44.614
flat angles C4'-P-C4' energy: -59.094
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -82.255
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: 286
Temperature: 1.100000
Total energy: -943.971619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.971619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.971619 (E_RNA)
where:
Base-Base interactions energy: -649.378
where: short stacking energy: -291.164
Base-Backbone interact. energy: -0.896
local terms energy: -293.697612
where:
bonds (distance) C4'-P energy: -56.412
bonds (distance) P-C4' energy: -55.806
flat angles C4'-P-C4' energy: -61.361
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -77.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -870.394972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.394972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.394972 (E_RNA)
where:
Base-Base interactions energy: -588.206
where: short stacking energy: -264.406
Base-Backbone interact. energy: -0.350
local terms energy: -281.838731
where:
bonds (distance) C4'-P energy: -57.043
bonds (distance) P-C4' energy: -61.152
flat angles C4'-P-C4' energy: -56.142
flat angles P-C4'-P energy: -42.147
tors. eta vs tors. theta energy: -65.355
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: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -823.813937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.813937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.813937 (E_RNA)
where:
Base-Base interactions energy: -547.837
where: short stacking energy: -235.034
Base-Backbone interact. energy: -1.016
local terms energy: -274.961471
where:
bonds (distance) C4'-P energy: -54.405
bonds (distance) P-C4' energy: -50.093
flat angles C4'-P-C4' energy: -71.245
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -65.073
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: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -704.820604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.820604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.820604 (E_RNA)
where:
Base-Base interactions energy: -474.835
where: short stacking energy: -227.343
Base-Backbone interact. energy: 3.278
local terms energy: -233.263137
where:
bonds (distance) C4'-P energy: -49.074
bonds (distance) P-C4' energy: -52.035
flat angles C4'-P-C4' energy: -62.858
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -45.937
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: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -705.457075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.457075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.457075 (E_RNA)
where:
Base-Base interactions energy: -470.705
where: short stacking energy: -211.658
Base-Backbone interact. energy: -0.502
local terms energy: -234.250663
where:
bonds (distance) C4'-P energy: -50.604
bonds (distance) P-C4' energy: -53.397
flat angles C4'-P-C4' energy: -51.250
flat angles P-C4'-P energy: -27.434
tors. eta vs tors. theta energy: -51.565
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: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -438.876047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.876047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.876047 (E_RNA)
where:
Base-Base interactions energy: -244.307
where: short stacking energy: -110.879
Base-Backbone interact. energy: 0.764
local terms energy: -195.332915
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -46.808
flat angles C4'-P-C4' energy: -56.675
flat angles P-C4'-P energy: -28.710
tors. eta vs tors. theta energy: -7.494
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: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1127.600571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.600571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.600571 (E_RNA)
where:
Base-Base interactions energy: -797.226
where: short stacking energy: -334.419
Base-Backbone interact. energy: -0.035
local terms energy: -330.340107
where:
bonds (distance) C4'-P energy: -60.280
bonds (distance) P-C4' energy: -64.897
flat angles C4'-P-C4' energy: -61.725
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -99.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1067.202834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.202834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.202834 (E_RNA)
where:
Base-Base interactions energy: -752.410
where: short stacking energy: -325.987
Base-Backbone interact. energy: -1.436
local terms energy: -313.356665
where:
bonds (distance) C4'-P energy: -52.728
bonds (distance) P-C4' energy: -62.381
flat angles C4'-P-C4' energy: -65.133
flat angles P-C4'-P energy: -43.930
tors. eta vs tors. theta energy: -89.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1037.625398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.625398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.625398 (E_RNA)
where:
Base-Base interactions energy: -748.550
where: short stacking energy: -296.948
Base-Backbone interact. energy: 0.041
local terms energy: -289.116290
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -60.940
flat angles C4'-P-C4' energy: -65.728
flat angles P-C4'-P energy: -44.918
tors. eta vs tors. theta energy: -75.184
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: 287
Temperature: 1.050000
Total energy: -970.724507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.724507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.724507 (E_RNA)
where:
Base-Base interactions energy: -669.805
where: short stacking energy: -295.330
Base-Backbone interact. energy: -0.835
local terms energy: -300.084120
where:
bonds (distance) C4'-P energy: -52.183
bonds (distance) P-C4' energy: -57.654
flat angles C4'-P-C4' energy: -66.269
flat angles P-C4'-P energy: -47.667
tors. eta vs tors. theta energy: -76.311
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: 287
Temperature: 1.100000
Total energy: -964.475976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.475976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.475976 (E_RNA)
where:
Base-Base interactions energy: -683.168
where: short stacking energy: -292.774
Base-Backbone interact. energy: -0.586
local terms energy: -280.721639
where:
bonds (distance) C4'-P energy: -51.477
bonds (distance) P-C4' energy: -49.748
flat angles C4'-P-C4' energy: -60.604
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -84.915
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: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -852.562475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.562475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.562475 (E_RNA)
where:
Base-Base interactions energy: -593.684
where: short stacking energy: -251.436
Base-Backbone interact. energy: -1.804
local terms energy: -257.074623
where:
bonds (distance) C4'-P energy: -53.233
bonds (distance) P-C4' energy: -52.006
flat angles C4'-P-C4' energy: -53.790
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -60.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -905.270964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.270964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.270964 (E_RNA)
where:
Base-Base interactions energy: -617.072
where: short stacking energy: -260.215
Base-Backbone interact. energy: -1.575
local terms energy: -286.623597
where:
bonds (distance) C4'-P energy: -55.069
bonds (distance) P-C4' energy: -56.480
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -81.021
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: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -681.862748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.862748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.862748 (E_RNA)
where:
Base-Base interactions energy: -442.796
where: short stacking energy: -196.768
Base-Backbone interact. energy: 2.974
local terms energy: -242.040247
where:
bonds (distance) C4'-P energy: -41.363
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -34.154
tors. eta vs tors. theta energy: -47.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -668.552780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.552780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.552780 (E_RNA)
where:
Base-Base interactions energy: -440.532
where: short stacking energy: -209.030
Base-Backbone interact. energy: 0.954
local terms energy: -228.975316
where:
bonds (distance) C4'-P energy: -41.995
bonds (distance) P-C4' energy: -49.915
flat angles C4'-P-C4' energy: -54.287
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -46.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -423.082398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.082398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.082398 (E_RNA)
where:
Base-Base interactions energy: -242.183
where: short stacking energy: -127.382
Base-Backbone interact. energy: 0.516
local terms energy: -181.415522
where:
bonds (distance) C4'-P energy: -40.498
bonds (distance) P-C4' energy: -50.105
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1135.564093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.564093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.564093 (E_RNA)
where:
Base-Base interactions energy: -799.423
where: short stacking energy: -360.246
Base-Backbone interact. energy: -0.317
local terms energy: -335.824012
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -68.078
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: -101.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1066.290746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.290746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.290746 (E_RNA)
where:
Base-Base interactions energy: -741.055
where: short stacking energy: -334.850
Base-Backbone interact. energy: -1.496
local terms energy: -323.739481
where:
bonds (distance) C4'-P energy: -57.450
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -68.280
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -100.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1016.807301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.807301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.807301 (E_RNA)
where:
Base-Base interactions energy: -707.291
where: short stacking energy: -315.916
Base-Backbone interact. energy: -1.509
local terms energy: -308.007496
where:
bonds (distance) C4'-P energy: -52.851
bonds (distance) P-C4' energy: -59.573
flat angles C4'-P-C4' energy: -63.196
flat angles P-C4'-P energy: -40.484
tors. eta vs tors. theta energy: -91.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -991.881286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.881286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.881286 (E_RNA)
where:
Base-Base interactions energy: -715.759
where: short stacking energy: -287.348
Base-Backbone interact. energy: -0.615
local terms energy: -275.507245
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -65.827
flat angles C4'-P-C4' energy: -66.207
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: -72.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -949.241313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.241313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.241313 (E_RNA)
where:
Base-Base interactions energy: -665.742
where: short stacking energy: -297.898
Base-Backbone interact. energy: -1.235
local terms energy: -282.263937
where:
bonds (distance) C4'-P energy: -41.514
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -63.586
flat angles P-C4'-P energy: -48.325
tors. eta vs tors. theta energy: -89.252
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: 288
Temperature: 1.150000
Total energy: -876.941304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.941304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.941304 (E_RNA)
where:
Base-Base interactions energy: -628.551
where: short stacking energy: -273.319
Base-Backbone interact. energy: 1.069
local terms energy: -249.459100
where:
bonds (distance) C4'-P energy: -47.258
bonds (distance) P-C4' energy: -54.287
flat angles C4'-P-C4' energy: -52.464
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -70.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -868.268211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.268211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.268211 (E_RNA)
where:
Base-Base interactions energy: -599.408
where: short stacking energy: -258.180
Base-Backbone interact. energy: 0.070
local terms energy: -268.930315
where:
bonds (distance) C4'-P energy: -64.140
bonds (distance) P-C4' energy: -62.801
flat angles C4'-P-C4' energy: -46.731
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -74.544
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -685.891967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.891967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.891967 (E_RNA)
where:
Base-Base interactions energy: -448.852
where: short stacking energy: -207.944
Base-Backbone interact. energy: -1.745
local terms energy: -235.295016
where:
bonds (distance) C4'-P energy: -63.718
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -30.745
tors. eta vs tors. theta energy: -44.997
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: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -639.804393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.804393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.804393 (E_RNA)
where:
Base-Base interactions energy: -404.655
where: short stacking energy: -177.376
Base-Backbone interact. energy: -1.296
local terms energy: -233.853662
where:
bonds (distance) C4'-P energy: -59.554
bonds (distance) P-C4' energy: -42.628
flat angles C4'-P-C4' energy: -55.753
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -40.152
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: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -409.814329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.814329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.814329 (E_RNA)
where:
Base-Base interactions energy: -206.087
where: short stacking energy: -114.171
Base-Backbone interact. energy: 0.491
local terms energy: -204.217901
where:
bonds (distance) C4'-P energy: -58.340
bonds (distance) P-C4' energy: -59.786
flat angles C4'-P-C4' energy: -43.541
flat angles P-C4'-P energy: -32.869
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1131.128282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.128282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.128282 (E_RNA)
where:
Base-Base interactions energy: -794.598
where: short stacking energy: -347.906
Base-Backbone interact. energy: -0.724
local terms energy: -335.805662
where:
bonds (distance) C4'-P energy: -65.626
bonds (distance) P-C4' energy: -70.027
flat angles C4'-P-C4' energy: -68.680
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -97.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1081.736795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.736795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.736795 (E_RNA)
where:
Base-Base interactions energy: -732.270
where: short stacking energy: -327.561
Base-Backbone interact. energy: -2.026
local terms energy: -347.440621
where:
bonds (distance) C4'-P energy: -66.869
bonds (distance) P-C4' energy: -66.288
flat angles C4'-P-C4' energy: -67.823
flat angles P-C4'-P energy: -48.799
tors. eta vs tors. theta energy: -97.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -994.906678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.906678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.906678 (E_RNA)
where:
Base-Base interactions energy: -690.634
where: short stacking energy: -295.577
Base-Backbone interact. energy: -0.867
local terms energy: -303.405698
where:
bonds (distance) C4'-P energy: -57.860
bonds (distance) P-C4' energy: -57.367
flat angles C4'-P-C4' energy: -63.016
flat angles P-C4'-P energy: -46.720
tors. eta vs tors. theta energy: -78.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -983.554056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.554056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.554056 (E_RNA)
where:
Base-Base interactions energy: -672.041
where: short stacking energy: -299.525
Base-Backbone interact. energy: -1.256
local terms energy: -310.256786
where:
bonds (distance) C4'-P energy: -51.972
bonds (distance) P-C4' energy: -56.276
flat angles C4'-P-C4' energy: -68.190
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -93.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -979.999324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.999324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.999324 (E_RNA)
where:
Base-Base interactions energy: -709.768
where: short stacking energy: -282.613
Base-Backbone interact. energy: 0.232
local terms energy: -270.463151
where:
bonds (distance) C4'-P energy: -55.089
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -66.122
flat angles P-C4'-P energy: -34.386
tors. eta vs tors. theta energy: -67.810
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: 289
Temperature: 1.150000
Total energy: -916.411746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.411746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.411746 (E_RNA)
where:
Base-Base interactions energy: -627.092
where: short stacking energy: -274.248
Base-Backbone interact. energy: 2.037
local terms energy: -291.357265
where:
bonds (distance) C4'-P energy: -51.876
bonds (distance) P-C4' energy: -51.405
flat angles C4'-P-C4' energy: -63.835
flat angles P-C4'-P energy: -47.621
tors. eta vs tors. theta energy: -76.620
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: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -839.494983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.494983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.494983 (E_RNA)
where:
Base-Base interactions energy: -578.148
where: short stacking energy: -254.287
Base-Backbone interact. energy: -2.100
local terms energy: -259.247017
where:
bonds (distance) C4'-P energy: -53.153
bonds (distance) P-C4' energy: -41.500
flat angles C4'-P-C4' energy: -52.796
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -74.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -729.593822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.593822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.593822 (E_RNA)
where:
Base-Base interactions energy: -473.099
where: short stacking energy: -216.551
Base-Backbone interact. energy: -0.407
local terms energy: -256.087933
where:
bonds (distance) C4'-P energy: -54.837
bonds (distance) P-C4' energy: -48.763
flat angles C4'-P-C4' energy: -59.520
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -56.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -635.824795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.824795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.824795 (E_RNA)
where:
Base-Base interactions energy: -434.468
where: short stacking energy: -187.772
Base-Backbone interact. energy: -0.345
local terms energy: -201.012016
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: -27.572
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: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -390.891881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.891881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.891881 (E_RNA)
where:
Base-Base interactions energy: -216.330
where: short stacking energy: -126.464
Base-Backbone interact. energy: 5.428
local terms energy: -179.989556
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -54.419
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -11.214
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: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1121.653936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.653936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.653936 (E_RNA)
where:
Base-Base interactions energy: -774.939
where: short stacking energy: -333.994
Base-Backbone interact. energy: -0.039
local terms energy: -346.675782
where:
bonds (distance) C4'-P energy: -63.658
bonds (distance) P-C4' energy: -57.326
flat angles C4'-P-C4' energy: -76.647
flat angles P-C4'-P energy: -48.225
tors. eta vs tors. theta energy: -100.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1069.717902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.717902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.717902 (E_RNA)
where:
Base-Base interactions energy: -743.211
where: short stacking energy: -331.383
Base-Backbone interact. energy: -1.022
local terms energy: -325.484197
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -62.551
flat angles C4'-P-C4' energy: -65.046
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -93.022
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: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1011.262907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.262907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.262907 (E_RNA)
where:
Base-Base interactions energy: -690.397
where: short stacking energy: -305.951
Base-Backbone interact. energy: -2.824
local terms energy: -318.042406
where:
bonds (distance) C4'-P energy: -64.982
bonds (distance) P-C4' energy: -59.227
flat angles C4'-P-C4' energy: -66.192
flat angles P-C4'-P energy: -45.494
tors. eta vs tors. theta energy: -82.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -977.153726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.153726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.153726 (E_RNA)
where:
Base-Base interactions energy: -693.319
where: short stacking energy: -301.974
Base-Backbone interact. energy: -0.388
local terms energy: -283.447309
where:
bonds (distance) C4'-P energy: -43.156
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -66.394
flat angles P-C4'-P energy: -41.363
tors. eta vs tors. theta energy: -81.132
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: 290
Temperature: 1.100000
Total energy: -991.521865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.521865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.521865 (E_RNA)
where:
Base-Base interactions energy: -704.578
where: short stacking energy: -279.397
Base-Backbone interact. energy: -0.526
local terms energy: -286.417743
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -58.233
flat angles C4'-P-C4' energy: -58.864
flat angles P-C4'-P energy: -44.794
tors. eta vs tors. theta energy: -69.496
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: 290
Temperature: 1.150000
Total energy: -868.489561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.489561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.489561 (E_RNA)
where:
Base-Base interactions energy: -601.911
where: short stacking energy: -243.546
Base-Backbone interact. energy: -1.414
local terms energy: -265.164564
where:
bonds (distance) C4'-P energy: -57.826
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -48.857
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -71.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -830.834233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.834233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.834233 (E_RNA)
where:
Base-Base interactions energy: -587.478
where: short stacking energy: -255.678
Base-Backbone interact. energy: 0.879
local terms energy: -244.235241
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -51.194
flat angles P-C4'-P energy: -32.250
tors. eta vs tors. theta energy: -62.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -737.021496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.021496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.021496 (E_RNA)
where:
Base-Base interactions energy: -492.391
where: short stacking energy: -212.152
Base-Backbone interact. energy: -4.326
local terms energy: -240.304539
where:
bonds (distance) C4'-P energy: -54.546
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -58.460
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -49.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -601.334195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.334195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.334195 (E_RNA)
where:
Base-Base interactions energy: -375.487
where: short stacking energy: -187.623
Base-Backbone interact. energy: -0.770
local terms energy: -225.076492
where:
bonds (distance) C4'-P energy: -51.062
bonds (distance) P-C4' energy: -65.145
flat angles C4'-P-C4' energy: -38.604
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -39.024
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: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -434.890659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.890659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.890659 (E_RNA)
where:
Base-Base interactions energy: -234.046
where: short stacking energy: -118.329
Base-Backbone interact. energy: 1.687
local terms energy: -202.531248
where:
bonds (distance) C4'-P energy: -49.380
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -53.606
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -15.057
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: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1112.034295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.034295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.034295 (E_RNA)
where:
Base-Base interactions energy: -782.056
where: short stacking energy: -335.450
Base-Backbone interact. energy: -0.902
local terms energy: -329.075422
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -60.751
flat angles C4'-P-C4' energy: -63.661
flat angles P-C4'-P energy: -56.273
tors. eta vs tors. theta energy: -94.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1059.160518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.160518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.160518 (E_RNA)
where:
Base-Base interactions energy: -734.442
where: short stacking energy: -309.459
Base-Backbone interact. energy: 1.127
local terms energy: -325.845166
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -60.726
flat angles P-C4'-P energy: -51.132
tors. eta vs tors. theta energy: -91.534
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: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -983.715380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.715380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.715380 (E_RNA)
where:
Base-Base interactions energy: -690.611
where: short stacking energy: -308.809
Base-Backbone interact. energy: -2.441
local terms energy: -290.662809
where:
bonds (distance) C4'-P energy: -57.460
bonds (distance) P-C4' energy: -59.666
flat angles C4'-P-C4' energy: -45.908
flat angles P-C4'-P energy: -39.539
tors. eta vs tors. theta energy: -88.090
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: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1012.392789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.392789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.392789 (E_RNA)
where:
Base-Base interactions energy: -730.678
where: short stacking energy: -299.845
Base-Backbone interact. energy: -1.490
local terms energy: -280.224553
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -51.787
flat angles P-C4'-P energy: -43.200
tors. eta vs tors. theta energy: -75.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -937.951264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.951264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.951264 (E_RNA)
where:
Base-Base interactions energy: -660.677
where: short stacking energy: -282.335
Base-Backbone interact. energy: -1.729
local terms energy: -275.545180
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -53.552
flat angles C4'-P-C4' energy: -62.487
flat angles P-C4'-P energy: -41.573
tors. eta vs tors. theta energy: -71.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -903.757529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.757529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.757529 (E_RNA)
where:
Base-Base interactions energy: -620.489
where: short stacking energy: -274.472
Base-Backbone interact. energy: -1.164
local terms energy: -282.104276
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -58.687
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -81.086
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -833.921190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.921190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.921190 (E_RNA)
where:
Base-Base interactions energy: -561.973
where: short stacking energy: -244.140
Base-Backbone interact. energy: 1.039
local terms energy: -272.986551
where:
bonds (distance) C4'-P energy: -52.222
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -57.755
flat angles P-C4'-P energy: -45.092
tors. eta vs tors. theta energy: -66.998
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: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -675.674030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.674030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.674030 (E_RNA)
where:
Base-Base interactions energy: -439.809
where: short stacking energy: -207.887
Base-Backbone interact. energy: -1.652
local terms energy: -234.213116
where:
bonds (distance) C4'-P energy: -55.903
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -40.792
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: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -560.168468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.168468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.168468 (E_RNA)
where:
Base-Base interactions energy: -362.955
where: short stacking energy: -173.875
Base-Backbone interact. energy: 6.595
local terms energy: -203.808003
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -50.087
flat angles C4'-P-C4' energy: -53.877
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -426.643792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.643792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.643792 (E_RNA)
where:
Base-Base interactions energy: -257.174
where: short stacking energy: -139.612
Base-Backbone interact. energy: -1.445
local terms energy: -168.025411
where:
bonds (distance) C4'-P energy: -45.113
bonds (distance) P-C4' energy: -52.990
flat angles C4'-P-C4' energy: -41.805
flat angles P-C4'-P energy: -27.004
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1118.231826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.231826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.231826 (E_RNA)
where:
Base-Base interactions energy: -784.432
where: short stacking energy: -326.463
Base-Backbone interact. energy: -1.088
local terms energy: -332.711061
where:
bonds (distance) C4'-P energy: -65.022
bonds (distance) P-C4' energy: -67.506
flat angles C4'-P-C4' energy: -69.053
flat angles P-C4'-P energy: -42.539
tors. eta vs tors. theta energy: -88.591
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: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1060.301636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.301636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.301636 (E_RNA)
where:
Base-Base interactions energy: -743.748
where: short stacking energy: -331.784
Base-Backbone interact. energy: 0.640
local terms energy: -317.193363
where:
bonds (distance) C4'-P energy: -57.886
bonds (distance) P-C4' energy: -59.197
flat angles C4'-P-C4' energy: -60.046
flat angles P-C4'-P energy: -43.974
tors. eta vs tors. theta energy: -96.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1013.110745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.110745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.110745 (E_RNA)
where:
Base-Base interactions energy: -712.717
where: short stacking energy: -277.417
Base-Backbone interact. energy: 0.348
local terms energy: -300.742356
where:
bonds (distance) C4'-P energy: -54.975
bonds (distance) P-C4' energy: -56.015
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -50.705
tors. eta vs tors. theta energy: -77.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -979.702438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.702438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.702438 (E_RNA)
where:
Base-Base interactions energy: -669.049
where: short stacking energy: -300.921
Base-Backbone interact. energy: -0.646
local terms energy: -310.007807
where:
bonds (distance) C4'-P energy: -56.729
bonds (distance) P-C4' energy: -54.897
flat angles C4'-P-C4' energy: -66.932
flat angles P-C4'-P energy: -48.079
tors. eta vs tors. theta energy: -83.372
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: 292
Temperature: 1.100000
Total energy: -954.911359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.911359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.911359 (E_RNA)
where:
Base-Base interactions energy: -663.929
where: short stacking energy: -286.357
Base-Backbone interact. energy: -0.880
local terms energy: -290.102423
where:
bonds (distance) C4'-P energy: -54.260
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -63.207
flat angles P-C4'-P energy: -39.125
tors. eta vs tors. theta energy: -78.667
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: 292
Temperature: 1.150000
Total energy: -946.900859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.900859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.900859 (E_RNA)
where:
Base-Base interactions energy: -651.258
where: short stacking energy: -286.124
Base-Backbone interact. energy: -1.804
local terms energy: -293.839202
where:
bonds (distance) C4'-P energy: -50.255
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -54.107
flat angles P-C4'-P energy: -48.351
tors. eta vs tors. theta energy: -90.156
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: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -854.543250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.543250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.543250 (E_RNA)
where:
Base-Base interactions energy: -614.017
where: short stacking energy: -281.201
Base-Backbone interact. energy: -1.759
local terms energy: -238.767187
where:
bonds (distance) C4'-P energy: -44.036
bonds (distance) P-C4' energy: -46.326
flat angles C4'-P-C4' energy: -47.495
flat angles P-C4'-P energy: -34.087
tors. eta vs tors. theta energy: -66.822
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: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -700.319021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.319021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.319021 (E_RNA)
where:
Base-Base interactions energy: -461.556
where: short stacking energy: -213.367
Base-Backbone interact. energy: 4.489
local terms energy: -243.251441
where:
bonds (distance) C4'-P energy: -46.289
bonds (distance) P-C4' energy: -59.868
flat angles C4'-P-C4' energy: -45.682
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -55.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -557.990695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.990695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.990695 (E_RNA)
where:
Base-Base interactions energy: -366.187
where: short stacking energy: -155.773
Base-Backbone interact. energy: 1.425
local terms energy: -193.228897
where:
bonds (distance) C4'-P energy: -48.169
bonds (distance) P-C4' energy: -48.469
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -32.907
tors. eta vs tors. theta energy: -21.912
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: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -423.734863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.734863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.734863 (E_RNA)
where:
Base-Base interactions energy: -247.322
where: short stacking energy: -139.073
Base-Backbone interact. energy: -1.415
local terms energy: -174.998438
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -45.259
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1122.311490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.311490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.311490 (E_RNA)
where:
Base-Base interactions energy: -793.772
where: short stacking energy: -335.815
Base-Backbone interact. energy: -0.495
local terms energy: -328.044047
where:
bonds (distance) C4'-P energy: -63.173
bonds (distance) P-C4' energy: -55.768
flat angles C4'-P-C4' energy: -67.451
flat angles P-C4'-P energy: -46.762
tors. eta vs tors. theta energy: -94.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1085.531230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.531230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.531230 (E_RNA)
where:
Base-Base interactions energy: -766.646
where: short stacking energy: -345.138
Base-Backbone interact. energy: -0.439
local terms energy: -318.446017
where:
bonds (distance) C4'-P energy: -51.304
bonds (distance) P-C4' energy: -63.127
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -95.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1028.756170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.756170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.756170 (E_RNA)
where:
Base-Base interactions energy: -718.573
where: short stacking energy: -301.032
Base-Backbone interact. energy: -2.478
local terms energy: -307.705399
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -65.363
flat angles P-C4'-P energy: -45.842
tors. eta vs tors. theta energy: -77.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -996.107961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.107961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.107961 (E_RNA)
where:
Base-Base interactions energy: -689.056
where: short stacking energy: -304.910
Base-Backbone interact. energy: -0.194
local terms energy: -306.857384
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -58.570
flat angles C4'-P-C4' energy: -67.836
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -84.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -961.845156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.845156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.845156 (E_RNA)
where:
Base-Base interactions energy: -664.337
where: short stacking energy: -266.109
Base-Backbone interact. energy: -0.574
local terms energy: -296.933865
where:
bonds (distance) C4'-P energy: -60.159
bonds (distance) P-C4' energy: -64.907
flat angles C4'-P-C4' energy: -64.950
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -71.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -949.305269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.305269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.305269 (E_RNA)
where:
Base-Base interactions energy: -654.721
where: short stacking energy: -290.724
Base-Backbone interact. energy: -0.568
local terms energy: -294.016135
where:
bonds (distance) C4'-P energy: -53.103
bonds (distance) P-C4' energy: -50.483
flat angles C4'-P-C4' energy: -63.052
flat angles P-C4'-P energy: -39.520
tors. eta vs tors. theta energy: -87.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -841.452613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.452613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.452613 (E_RNA)
where:
Base-Base interactions energy: -572.658
where: short stacking energy: -244.751
Base-Backbone interact. energy: -1.621
local terms energy: -267.173887
where:
bonds (distance) C4'-P energy: -61.669
bonds (distance) P-C4' energy: -52.430
flat angles C4'-P-C4' energy: -55.349
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -64.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -686.802459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.802459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.802459 (E_RNA)
where:
Base-Base interactions energy: -455.355
where: short stacking energy: -218.024
Base-Backbone interact. energy: -0.981
local terms energy: -230.467121
where:
bonds (distance) C4'-P energy: -40.936
bonds (distance) P-C4' energy: -51.830
flat angles C4'-P-C4' energy: -51.833
flat angles P-C4'-P energy: -34.383
tors. eta vs tors. theta energy: -51.485
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: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -581.482330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.482330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.482330 (E_RNA)
where:
Base-Base interactions energy: -373.179
where: short stacking energy: -166.372
Base-Backbone interact. energy: -0.860
local terms energy: -207.442966
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -47.749
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -32.887
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: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -410.794977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.794977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.794977 (E_RNA)
where:
Base-Base interactions energy: -226.674
where: short stacking energy: -129.440
Base-Backbone interact. energy: 3.340
local terms energy: -187.460368
where:
bonds (distance) C4'-P energy: -56.456
bonds (distance) P-C4' energy: -49.554
flat angles C4'-P-C4' energy: -42.649
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1093.219585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.219585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.219585 (E_RNA)
where:
Base-Base interactions energy: -765.189
where: short stacking energy: -340.868
Base-Backbone interact. energy: 2.243
local terms energy: -330.273620
where:
bonds (distance) C4'-P energy: -58.715
bonds (distance) P-C4' energy: -66.463
flat angles C4'-P-C4' energy: -65.831
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -95.532
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: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1093.922015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.922015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.922015 (E_RNA)
where:
Base-Base interactions energy: -759.342
where: short stacking energy: -329.362
Base-Backbone interact. energy: -1.444
local terms energy: -333.135791
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -59.016
flat angles C4'-P-C4' energy: -72.456
flat angles P-C4'-P energy: -48.983
tors. eta vs tors. theta energy: -98.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1038.814120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.814120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.814120 (E_RNA)
where:
Base-Base interactions energy: -695.542
where: short stacking energy: -320.741
Base-Backbone interact. energy: 0.369
local terms energy: -343.641306
where:
bonds (distance) C4'-P energy: -67.814
bonds (distance) P-C4' energy: -60.185
flat angles C4'-P-C4' energy: -66.891
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -97.868
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: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1023.256057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.256057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.256057 (E_RNA)
where:
Base-Base interactions energy: -710.522
where: short stacking energy: -283.584
Base-Backbone interact. energy: -1.140
local terms energy: -311.594783
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -57.727
flat angles C4'-P-C4' energy: -64.975
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -82.093
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: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -954.126577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.126577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.126577 (E_RNA)
where:
Base-Base interactions energy: -662.998
where: short stacking energy: -265.166
Base-Backbone interact. energy: -1.959
local terms energy: -289.169993
where:
bonds (distance) C4'-P energy: -56.849
bonds (distance) P-C4' energy: -58.078
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -29.404
tors. eta vs tors. theta energy: -79.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -936.537812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.537812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.537812 (E_RNA)
where:
Base-Base interactions energy: -670.910
where: short stacking energy: -269.167
Base-Backbone interact. energy: -2.734
local terms energy: -262.893521
where:
bonds (distance) C4'-P energy: -56.414
bonds (distance) P-C4' energy: -40.004
flat angles C4'-P-C4' energy: -62.080
flat angles P-C4'-P energy: -35.161
tors. eta vs tors. theta energy: -69.235
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: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -857.683125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.683125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.683125 (E_RNA)
where:
Base-Base interactions energy: -567.718
where: short stacking energy: -255.554
Base-Backbone interact. energy: -1.067
local terms energy: -288.897798
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -64.149
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -34.529
tors. eta vs tors. theta energy: -69.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -703.379197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.379197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.379197 (E_RNA)
where:
Base-Base interactions energy: -471.841
where: short stacking energy: -205.421
Base-Backbone interact. energy: -1.003
local terms energy: -230.535322
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -48.783
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -23.024
tors. eta vs tors. theta energy: -52.709
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: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -602.119022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.119022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.119022 (E_RNA)
where:
Base-Base interactions energy: -394.148
where: short stacking energy: -191.860
Base-Backbone interact. energy: -0.323
local terms energy: -207.647924
where:
bonds (distance) C4'-P energy: -53.998
bonds (distance) P-C4' energy: -51.056
flat angles C4'-P-C4' energy: -41.550
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -409.538895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.538895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.538895 (E_RNA)
where:
Base-Base interactions energy: -232.250
where: short stacking energy: -126.893
Base-Backbone interact. energy: -1.225
local terms energy: -176.063652
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -48.865
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -11.173
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: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1087.101316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.101316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.101316 (E_RNA)
where:
Base-Base interactions energy: -747.627
where: short stacking energy: -332.657
Base-Backbone interact. energy: -1.309
local terms energy: -338.166070
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -72.927
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -94.034
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: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1102.099584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.099584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.099584 (E_RNA)
where:
Base-Base interactions energy: -779.974
where: short stacking energy: -336.961
Base-Backbone interact. energy: 1.365
local terms energy: -323.490461
where:
bonds (distance) C4'-P energy: -57.796
bonds (distance) P-C4' energy: -55.250
flat angles C4'-P-C4' energy: -66.448
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: -101.006
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: 295
Temperature: 1.000000
Total energy: -1034.550224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.550224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.550224 (E_RNA)
where:
Base-Base interactions energy: -695.379
where: short stacking energy: -317.653
Base-Backbone interact. energy: -0.828
local terms energy: -338.343907
where:
bonds (distance) C4'-P energy: -59.815
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -72.598
flat angles P-C4'-P energy: -50.456
tors. eta vs tors. theta energy: -96.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1008.457975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.457975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.457975 (E_RNA)
where:
Base-Base interactions energy: -705.376
where: short stacking energy: -282.153
Base-Backbone interact. energy: -2.408
local terms energy: -300.673788
where:
bonds (distance) C4'-P energy: -59.314
bonds (distance) P-C4' energy: -65.004
flat angles C4'-P-C4' energy: -64.563
flat angles P-C4'-P energy: -39.257
tors. eta vs tors. theta energy: -72.536
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: 295
Temperature: 1.100000
Total energy: -973.524479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.524479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.524479 (E_RNA)
where:
Base-Base interactions energy: -673.221
where: short stacking energy: -286.090
Base-Backbone interact. energy: -1.442
local terms energy: -298.861615
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -56.840
flat angles C4'-P-C4' energy: -60.256
flat angles P-C4'-P energy: -40.238
tors. eta vs tors. theta energy: -87.303
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: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -923.154300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.154300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.154300 (E_RNA)
where:
Base-Base interactions energy: -658.046
where: short stacking energy: -265.730
Base-Backbone interact. energy: 5.744
local terms energy: -270.851755
where:
bonds (distance) C4'-P energy: -58.182
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -59.494
flat angles P-C4'-P energy: -33.383
tors. eta vs tors. theta energy: -67.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -850.211391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.211391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.211391 (E_RNA)
where:
Base-Base interactions energy: -581.498
where: short stacking energy: -263.589
Base-Backbone interact. energy: -0.606
local terms energy: -268.107462
where:
bonds (distance) C4'-P energy: -46.286
bonds (distance) P-C4' energy: -56.051
flat angles C4'-P-C4' energy: -63.272
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -71.148
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: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -728.248676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.248676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.248676 (E_RNA)
where:
Base-Base interactions energy: -492.461
where: short stacking energy: -220.515
Base-Backbone interact. energy: 1.197
local terms energy: -236.984231
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -50.284
flat angles C4'-P-C4' energy: -46.687
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -47.712
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: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -592.171181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.171181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.171181 (E_RNA)
where:
Base-Base interactions energy: -376.572
where: short stacking energy: -187.221
Base-Backbone interact. energy: 4.520
local terms energy: -220.119249
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -63.195
flat angles C4'-P-C4' energy: -52.384
flat angles P-C4'-P energy: -35.096
tors. eta vs tors. theta energy: -30.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -414.291187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.291187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.291187 (E_RNA)
where:
Base-Base interactions energy: -233.934
where: short stacking energy: -127.195
Base-Backbone interact. energy: -0.516
local terms energy: -179.841851
where:
bonds (distance) C4'-P energy: -44.606
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -49.848
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -14.640
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: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1113.734076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.734076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.734076 (E_RNA)
where:
Base-Base interactions energy: -777.514
where: short stacking energy: -347.877
Base-Backbone interact. energy: 1.435
local terms energy: -337.655159
where:
bonds (distance) C4'-P energy: -56.398
bonds (distance) P-C4' energy: -64.876
flat angles C4'-P-C4' energy: -69.619
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -100.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1074.037059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.037059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.037059 (E_RNA)
where:
Base-Base interactions energy: -744.811
where: short stacking energy: -334.133
Base-Backbone interact. energy: -0.633
local terms energy: -328.593385
where:
bonds (distance) C4'-P energy: -55.640
bonds (distance) P-C4' energy: -62.087
flat angles C4'-P-C4' energy: -60.531
flat angles P-C4'-P energy: -52.287
tors. eta vs tors. theta energy: -98.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1055.549613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.549613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.549613 (E_RNA)
where:
Base-Base interactions energy: -750.739
where: short stacking energy: -303.987
Base-Backbone interact. energy: -0.878
local terms energy: -303.932039
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -64.218
flat angles C4'-P-C4' energy: -60.689
flat angles P-C4'-P energy: -40.734
tors. eta vs tors. theta energy: -76.458
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: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1003.115775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.115775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.115775 (E_RNA)
where:
Base-Base interactions energy: -688.071
where: short stacking energy: -308.861
Base-Backbone interact. energy: -1.048
local terms energy: -313.997129
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -68.895
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -94.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -985.674787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.674787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.674787 (E_RNA)
where:
Base-Base interactions energy: -691.783
where: short stacking energy: -297.868
Base-Backbone interact. energy: -1.470
local terms energy: -292.422024
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -61.687
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -36.555
tors. eta vs tors. theta energy: -90.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -924.800420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.800420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.800420 (E_RNA)
where:
Base-Base interactions energy: -657.741
where: short stacking energy: -280.690
Base-Backbone interact. energy: -0.198
local terms energy: -266.861148
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -44.175
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: -71.706
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: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -868.906739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.906739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.906739 (E_RNA)
where:
Base-Base interactions energy: -567.764
where: short stacking energy: -253.161
Base-Backbone interact. energy: -1.174
local terms energy: -299.968120
where:
bonds (distance) C4'-P energy: -62.090
bonds (distance) P-C4' energy: -65.616
flat angles C4'-P-C4' energy: -63.848
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -65.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -736.194946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.194946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.194946 (E_RNA)
where:
Base-Base interactions energy: -495.025
where: short stacking energy: -217.601
Base-Backbone interact. energy: -0.368
local terms energy: -240.801726
where:
bonds (distance) C4'-P energy: -48.407
bonds (distance) P-C4' energy: -56.856
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -48.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -591.511509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.511509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.511509 (E_RNA)
where:
Base-Base interactions energy: -365.726
where: short stacking energy: -174.012
Base-Backbone interact. energy: -0.575
local terms energy: -225.210388
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -34.689
tors. eta vs tors. theta energy: -37.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -410.065863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.065863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.065863 (E_RNA)
where:
Base-Base interactions energy: -236.620
where: short stacking energy: -122.396
Base-Backbone interact. energy: -1.182
local terms energy: -172.264184
where:
bonds (distance) C4'-P energy: -60.354
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -39.326
flat angles P-C4'-P energy: -32.207
tors. eta vs tors. theta energy: -3.744
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: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1117.430522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.430522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.430522 (E_RNA)
where:
Base-Base interactions energy: -762.612
where: short stacking energy: -335.653
Base-Backbone interact. energy: -1.558
local terms energy: -353.260035
where:
bonds (distance) C4'-P energy: -60.050
bonds (distance) P-C4' energy: -63.050
flat angles C4'-P-C4' energy: -71.966
flat angles P-C4'-P energy: -56.387
tors. eta vs tors. theta energy: -101.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1045.741905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.741905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.741905 (E_RNA)
where:
Base-Base interactions energy: -732.871
where: short stacking energy: -334.282
Base-Backbone interact. energy: 0.531
local terms energy: -313.401689
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -67.584
flat angles P-C4'-P energy: -43.449
tors. eta vs tors. theta energy: -90.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1067.695740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.695740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.695740 (E_RNA)
where:
Base-Base interactions energy: -755.291
where: short stacking energy: -318.753
Base-Backbone interact. energy: -1.586
local terms energy: -310.818573
where:
bonds (distance) C4'-P energy: -65.656
bonds (distance) P-C4' energy: -59.052
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -41.585
tors. eta vs tors. theta energy: -83.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -979.748180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.748180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.748180 (E_RNA)
where:
Base-Base interactions energy: -685.789
where: short stacking energy: -306.736
Base-Backbone interact. energy: -0.555
local terms energy: -293.403677
where:
bonds (distance) C4'-P energy: -56.741
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -59.275
flat angles P-C4'-P energy: -45.305
tors. eta vs tors. theta energy: -88.111
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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -979.263447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.263447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.263447 (E_RNA)
where:
Base-Base interactions energy: -669.334
where: short stacking energy: -273.240
Base-Backbone interact. energy: -1.761
local terms energy: -308.168831
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -56.585
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -85.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -935.391279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.391279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.391279 (E_RNA)
where:
Base-Base interactions energy: -648.935
where: short stacking energy: -276.466
Base-Backbone interact. energy: -0.395
local terms energy: -286.061490
where:
bonds (distance) C4'-P energy: -55.312
bonds (distance) P-C4' energy: -63.232
flat angles C4'-P-C4' energy: -61.052
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -68.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -865.022022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.022022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.022022 (E_RNA)
where:
Base-Base interactions energy: -579.703
where: short stacking energy: -272.058
Base-Backbone interact. energy: -0.628
local terms energy: -284.690995
where:
bonds (distance) C4'-P energy: -59.089
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -60.124
flat angles P-C4'-P energy: -33.909
tors. eta vs tors. theta energy: -77.711
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: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -731.074886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.074886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.074886 (E_RNA)
where:
Base-Base interactions energy: -484.622
where: short stacking energy: -220.287
Base-Backbone interact. energy: 1.011
local terms energy: -247.463336
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -49.519
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -52.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -634.247377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.247377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.247377 (E_RNA)
where:
Base-Base interactions energy: -418.918
where: short stacking energy: -184.228
Base-Backbone interact. energy: 0.788
local terms energy: -216.117120
where:
bonds (distance) C4'-P energy: -53.723
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -24.843
tors. eta vs tors. theta energy: -45.811
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: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -442.991851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.991851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.991851 (E_RNA)
where:
Base-Base interactions energy: -239.642
where: short stacking energy: -121.575
Base-Backbone interact. energy: 3.367
local terms energy: -206.717160
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -58.114
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1077.515309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.515309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.515309 (E_RNA)
where:
Base-Base interactions energy: -746.437
where: short stacking energy: -336.135
Base-Backbone interact. energy: 0.510
local terms energy: -331.588675
where:
bonds (distance) C4'-P energy: -57.878
bonds (distance) P-C4' energy: -58.603
flat angles C4'-P-C4' energy: -73.317
flat angles P-C4'-P energy: -45.426
tors. eta vs tors. theta energy: -96.364
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: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1084.563936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.563936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.563936 (E_RNA)
where:
Base-Base interactions energy: -764.564
where: short stacking energy: -327.096
Base-Backbone interact. energy: -1.503
local terms energy: -318.496646
where:
bonds (distance) C4'-P energy: -47.619
bonds (distance) P-C4' energy: -62.762
flat angles C4'-P-C4' energy: -71.235
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: -99.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1066.452686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.452686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.452686 (E_RNA)
where:
Base-Base interactions energy: -752.172
where: short stacking energy: -309.906
Base-Backbone interact. energy: -3.135
local terms energy: -311.145951
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -67.294
flat angles P-C4'-P energy: -48.605
tors. eta vs tors. theta energy: -78.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -993.675781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.675781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.675781 (E_RNA)
where:
Base-Base interactions energy: -670.613
where: short stacking energy: -300.763
Base-Backbone interact. energy: -0.859
local terms energy: -322.203150
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -65.111
flat angles P-C4'-P energy: -47.331
tors. eta vs tors. theta energy: -92.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -954.512543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.512543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.512543 (E_RNA)
where:
Base-Base interactions energy: -672.971
where: short stacking energy: -280.486
Base-Backbone interact. energy: -0.604
local terms energy: -280.937591
where:
bonds (distance) C4'-P energy: -57.143
bonds (distance) P-C4' energy: -51.932
flat angles C4'-P-C4' energy: -62.849
flat angles P-C4'-P energy: -42.766
tors. eta vs tors. theta energy: -66.247
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: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -983.386260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.386260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.386260 (E_RNA)
where:
Base-Base interactions energy: -683.857
where: short stacking energy: -281.915
Base-Backbone interact. energy: 0.052
local terms energy: -299.581610
where:
bonds (distance) C4'-P energy: -51.847
bonds (distance) P-C4' energy: -59.912
flat angles C4'-P-C4' energy: -55.855
flat angles P-C4'-P energy: -46.305
tors. eta vs tors. theta energy: -85.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -849.708918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.708918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.708918 (E_RNA)
where:
Base-Base interactions energy: -582.050
where: short stacking energy: -266.761
Base-Backbone interact. energy: -1.681
local terms energy: -265.977998
where:
bonds (distance) C4'-P energy: -42.637
bonds (distance) P-C4' energy: -57.970
flat angles C4'-P-C4' energy: -58.946
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: -71.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -729.851163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.851163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.851163 (E_RNA)
where:
Base-Base interactions energy: -480.051
where: short stacking energy: -216.714
Base-Backbone interact. energy: -1.109
local terms energy: -248.691073
where:
bonds (distance) C4'-P energy: -57.940
bonds (distance) P-C4' energy: -61.816
flat angles C4'-P-C4' energy: -56.179
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -46.076
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: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -678.171321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.171321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.171321 (E_RNA)
where:
Base-Base interactions energy: -452.821
where: short stacking energy: -201.506
Base-Backbone interact. energy: 0.664
local terms energy: -226.014428
where:
bonds (distance) C4'-P energy: -43.260
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -59.072
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -44.567
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: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -416.676355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.676355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.676355 (E_RNA)
where:
Base-Base interactions energy: -245.706
where: short stacking energy: -116.013
Base-Backbone interact. energy: 1.040
local terms energy: -172.010383
where:
bonds (distance) C4'-P energy: -48.688
bonds (distance) P-C4' energy: -60.433
flat angles C4'-P-C4' energy: -40.893
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1097.182541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.182541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.182541 (E_RNA)
where:
Base-Base interactions energy: -768.566
where: short stacking energy: -351.980
Base-Backbone interact. energy: -0.254
local terms energy: -328.362681
where:
bonds (distance) C4'-P energy: -55.304
bonds (distance) P-C4' energy: -62.542
flat angles C4'-P-C4' energy: -66.040
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: -98.072
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: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1100.023154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.023154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.023154 (E_RNA)
where:
Base-Base interactions energy: -771.830
where: short stacking energy: -341.227
Base-Backbone interact. energy: -0.307
local terms energy: -327.886007
where:
bonds (distance) C4'-P energy: -56.464
bonds (distance) P-C4' energy: -56.699
flat angles C4'-P-C4' energy: -70.059
flat angles P-C4'-P energy: -45.290
tors. eta vs tors. theta energy: -99.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1055.703511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.703511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.703511 (E_RNA)
where:
Base-Base interactions energy: -733.921
where: short stacking energy: -299.332
Base-Backbone interact. energy: -1.331
local terms energy: -320.451481
where:
bonds (distance) C4'-P energy: -56.707
bonds (distance) P-C4' energy: -62.874
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -51.095
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1001.405308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.405308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.405308 (E_RNA)
where:
Base-Base interactions energy: -685.506
where: short stacking energy: -325.184
Base-Backbone interact. energy: -0.016
local terms energy: -315.883321
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -66.430
flat angles C4'-P-C4' energy: -56.829
flat angles P-C4'-P energy: -42.802
tors. eta vs tors. theta energy: -93.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -948.475582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.475582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.475582 (E_RNA)
where:
Base-Base interactions energy: -671.515
where: short stacking energy: -275.566
Base-Backbone interact. energy: -1.316
local terms energy: -275.644311
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -58.261
flat angles C4'-P-C4' energy: -60.495
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: -68.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -913.923544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.923544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.923544 (E_RNA)
where:
Base-Base interactions energy: -628.451
where: short stacking energy: -285.553
Base-Backbone interact. energy: -0.433
local terms energy: -285.039359
where:
bonds (distance) C4'-P energy: -50.753
bonds (distance) P-C4' energy: -49.762
flat angles C4'-P-C4' energy: -62.388
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -85.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -813.602527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.602527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.602527 (E_RNA)
where:
Base-Base interactions energy: -533.950
where: short stacking energy: -245.285
Base-Backbone interact. energy: -1.271
local terms energy: -278.381480
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -63.626
flat angles C4'-P-C4' energy: -57.714
flat angles P-C4'-P energy: -30.706
tors. eta vs tors. theta energy: -62.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -674.779338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.779338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.779338 (E_RNA)
where:
Base-Base interactions energy: -446.125
where: short stacking energy: -186.351
Base-Backbone interact. energy: -1.115
local terms energy: -227.539905
where:
bonds (distance) C4'-P energy: -47.611
bonds (distance) P-C4' energy: -45.471
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -39.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -671.228571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.228571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.228571 (E_RNA)
where:
Base-Base interactions energy: -440.198
where: short stacking energy: -200.446
Base-Backbone interact. energy: -2.316
local terms energy: -228.714146
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -62.007
flat angles C4'-P-C4' energy: -63.594
flat angles P-C4'-P energy: -31.614
tors. eta vs tors. theta energy: -50.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -411.478610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.478610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.478610 (E_RNA)
where:
Base-Base interactions energy: -224.124
where: short stacking energy: -114.094
Base-Backbone interact. energy: -1.608
local terms energy: -185.747131
where:
bonds (distance) C4'-P energy: -52.786
bonds (distance) P-C4' energy: -53.009
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -28.952
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1125.791486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.791486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.791486 (E_RNA)
where:
Base-Base interactions energy: -778.528
where: short stacking energy: -335.503
Base-Backbone interact. energy: -0.248
local terms energy: -347.014681
where:
bonds (distance) C4'-P energy: -58.591
bonds (distance) P-C4' energy: -66.673
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -49.444
tors. eta vs tors. theta energy: -96.532
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: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1087.296269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.296269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.296269 (E_RNA)
where:
Base-Base interactions energy: -765.566
where: short stacking energy: -342.739
Base-Backbone interact. energy: -0.821
local terms energy: -320.909170
where:
bonds (distance) C4'-P energy: -56.235
bonds (distance) P-C4' energy: -59.477
flat angles C4'-P-C4' energy: -71.849
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -95.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1063.175986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.175986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.175986 (E_RNA)
where:
Base-Base interactions energy: -750.997
where: short stacking energy: -317.102
Base-Backbone interact. energy: 3.239
local terms energy: -315.418076
where:
bonds (distance) C4'-P energy: -60.492
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -42.060
tors. eta vs tors. theta energy: -84.422
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: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1005.930006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.930006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.930006 (E_RNA)
where:
Base-Base interactions energy: -696.869
where: short stacking energy: -313.039
Base-Backbone interact. energy: -0.970
local terms energy: -308.091205
where:
bonds (distance) C4'-P energy: -48.856
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -72.676
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: -95.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -956.666410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.666410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.666410 (E_RNA)
where:
Base-Base interactions energy: -673.053
where: short stacking energy: -268.036
Base-Backbone interact. energy: -1.371
local terms energy: -282.243093
where:
bonds (distance) C4'-P energy: -52.033
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -56.619
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -78.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -910.461876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.461876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.461876 (E_RNA)
where:
Base-Base interactions energy: -641.408
where: short stacking energy: -260.748
Base-Backbone interact. energy: -2.017
local terms energy: -267.036921
where:
bonds (distance) C4'-P energy: -41.761
bonds (distance) P-C4' energy: -55.314
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -44.346
tors. eta vs tors. theta energy: -69.256
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: 300
Temperature: 1.200000
Total energy: -816.049371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.049371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.049371 (E_RNA)
where:
Base-Base interactions energy: -544.643
where: short stacking energy: -242.908
Base-Backbone interact. energy: -2.404
local terms energy: -269.002467
where:
bonds (distance) C4'-P energy: -54.027
bonds (distance) P-C4' energy: -57.818
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -59.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -710.008762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.008762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.008762 (E_RNA)
where:
Base-Base interactions energy: -467.758
where: short stacking energy: -206.659
Base-Backbone interact. energy: -2.754
local terms energy: -239.496894
where:
bonds (distance) C4'-P energy: -52.332
bonds (distance) P-C4' energy: -50.630
flat angles C4'-P-C4' energy: -44.821
flat angles P-C4'-P energy: -37.829
tors. eta vs tors. theta energy: -53.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -673.056762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.056762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.056762 (E_RNA)
where:
Base-Base interactions energy: -424.841
where: short stacking energy: -191.384
Base-Backbone interact. energy: -0.206
local terms energy: -248.010278
where:
bonds (distance) C4'-P energy: -54.736
bonds (distance) P-C4' energy: -50.836
flat angles C4'-P-C4' energy: -59.814
flat angles P-C4'-P energy: -42.350
tors. eta vs tors. theta energy: -40.275
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: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -416.060833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.060833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.060833 (E_RNA)
where:
Base-Base interactions energy: -223.568
where: short stacking energy: -122.377
Base-Backbone interact. energy: 1.516
local terms energy: -194.008642
where:
bonds (distance) C4'-P energy: -49.458
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -44.072
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1128.436811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.436811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.436811 (E_RNA)
where:
Base-Base interactions energy: -780.158
where: short stacking energy: -356.502
Base-Backbone interact. energy: -0.750
local terms energy: -347.528497
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -60.987
flat angles C4'-P-C4' energy: -74.172
flat angles P-C4'-P energy: -44.784
tors. eta vs tors. theta energy: -104.844
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1077.313868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.313868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.313868 (E_RNA)
where:
Base-Base interactions energy: -750.968
where: short stacking energy: -325.283
Base-Backbone interact. energy: -0.235
local terms energy: -326.111562
where:
bonds (distance) C4'-P energy: -58.127
bonds (distance) P-C4' energy: -59.249
flat angles C4'-P-C4' energy: -66.252
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -95.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1042.553662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.553662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.553662 (E_RNA)
where:
Base-Base interactions energy: -742.534
where: short stacking energy: -299.531
Base-Backbone interact. energy: -0.010
local terms energy: -300.009249
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -64.700
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -77.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -999.763035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.763035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.763035 (E_RNA)
where:
Base-Base interactions energy: -692.148
where: short stacking energy: -322.225
Base-Backbone interact. energy: -0.526
local terms energy: -307.088187
where:
bonds (distance) C4'-P energy: -44.410
bonds (distance) P-C4' energy: -59.623
flat angles C4'-P-C4' energy: -66.768
flat angles P-C4'-P energy: -52.159
tors. eta vs tors. theta energy: -84.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -967.446047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.446047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.446047 (E_RNA)
where:
Base-Base interactions energy: -682.895
where: short stacking energy: -269.799
Base-Backbone interact. energy: 0.648
local terms energy: -285.198666
where:
bonds (distance) C4'-P energy: -47.336
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -69.599
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -82.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -883.072463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.072463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.072463 (E_RNA)
where:
Base-Base interactions energy: -617.996
where: short stacking energy: -269.389
Base-Backbone interact. energy: 0.948
local terms energy: -266.024968
where:
bonds (distance) C4'-P energy: -41.214
bonds (distance) P-C4' energy: -59.332
flat angles C4'-P-C4' energy: -55.297
flat angles P-C4'-P energy: -48.819
tors. eta vs tors. theta energy: -61.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -812.218495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.218495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.218495 (E_RNA)
where:
Base-Base interactions energy: -542.778
where: short stacking energy: -234.033
Base-Backbone interact. energy: -0.420
local terms energy: -269.020802
where:
bonds (distance) C4'-P energy: -45.794
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -66.740
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -66.949
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: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -735.699279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.699279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.699279 (E_RNA)
where:
Base-Base interactions energy: -480.762
where: short stacking energy: -209.112
Base-Backbone interact. energy: 0.335
local terms energy: -255.271849
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -61.904
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: -52.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -686.001062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.001062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.001062 (E_RNA)
where:
Base-Base interactions energy: -458.124
where: short stacking energy: -202.886
Base-Backbone interact. energy: -2.189
local terms energy: -225.687957
where:
bonds (distance) C4'-P energy: -56.984
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -52.188
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -46.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -415.073898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.073898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.073898 (E_RNA)
where:
Base-Base interactions energy: -236.196
where: short stacking energy: -104.567
Base-Backbone interact. energy: 1.448
local terms energy: -180.326194
where:
bonds (distance) C4'-P energy: -44.222
bonds (distance) P-C4' energy: -45.495
flat angles C4'-P-C4' energy: -57.714
flat angles P-C4'-P energy: -28.596
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1120.868040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.868040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.868040 (E_RNA)
where:
Base-Base interactions energy: -770.157
where: short stacking energy: -343.522
Base-Backbone interact. energy: -0.486
local terms energy: -350.224535
where:
bonds (distance) C4'-P energy: -65.393
bonds (distance) P-C4' energy: -55.351
flat angles C4'-P-C4' energy: -77.252
flat angles P-C4'-P energy: -50.466
tors. eta vs tors. theta energy: -101.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1082.717350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.717350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.717350 (E_RNA)
where:
Base-Base interactions energy: -763.705
where: short stacking energy: -332.293
Base-Backbone interact. energy: 1.176
local terms energy: -320.188521
where:
bonds (distance) C4'-P energy: -51.505
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -72.592
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -92.411
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: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1058.964709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.964709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.964709 (E_RNA)
where:
Base-Base interactions energy: -751.889
where: short stacking energy: -323.408
Base-Backbone interact. energy: -0.707
local terms energy: -306.369526
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -66.260
flat angles C4'-P-C4' energy: -64.143
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -84.624
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: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -992.439066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.439066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.439066 (E_RNA)
where:
Base-Base interactions energy: -680.448
where: short stacking energy: -314.281
Base-Backbone interact. energy: -0.570
local terms energy: -311.420175
where:
bonds (distance) C4'-P energy: -55.270
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -67.381
flat angles P-C4'-P energy: -47.937
tors. eta vs tors. theta energy: -90.126
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: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -985.733533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.733533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.733533 (E_RNA)
where:
Base-Base interactions energy: -687.997
where: short stacking energy: -285.464
Base-Backbone interact. energy: 1.875
local terms energy: -299.611827
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -64.862
flat angles C4'-P-C4' energy: -54.490
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -77.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -899.353870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.353870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.353870 (E_RNA)
where:
Base-Base interactions energy: -628.745
where: short stacking energy: -264.145
Base-Backbone interact. energy: -1.413
local terms energy: -269.196181
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -64.877
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -67.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -815.643127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.643127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.643127 (E_RNA)
where:
Base-Base interactions energy: -553.017
where: short stacking energy: -227.112
Base-Backbone interact. energy: -0.779
local terms energy: -261.847270
where:
bonds (distance) C4'-P energy: -45.891
bonds (distance) P-C4' energy: -61.153
flat angles C4'-P-C4' energy: -50.537
flat angles P-C4'-P energy: -40.785
tors. eta vs tors. theta energy: -63.481
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: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -687.386681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.386681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.386681 (E_RNA)
where:
Base-Base interactions energy: -458.573
where: short stacking energy: -194.697
Base-Backbone interact. energy: 1.627
local terms energy: -230.440399
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -51.498
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -41.216
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: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -679.729851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.729851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.729851 (E_RNA)
where:
Base-Base interactions energy: -451.446
where: short stacking energy: -210.985
Base-Backbone interact. energy: 0.862
local terms energy: -229.146319
where:
bonds (distance) C4'-P energy: -45.473
bonds (distance) P-C4' energy: -45.756
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -36.321
tors. eta vs tors. theta energy: -44.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -433.902908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.902908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.902908 (E_RNA)
where:
Base-Base interactions energy: -267.151
where: short stacking energy: -140.345
Base-Backbone interact. energy: -1.618
local terms energy: -165.133988
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1096.113017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.113017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.113017 (E_RNA)
where:
Base-Base interactions energy: -773.568
where: short stacking energy: -334.776
Base-Backbone interact. energy: 0.391
local terms energy: -322.936406
where:
bonds (distance) C4'-P energy: -57.740
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -65.083
flat angles P-C4'-P energy: -50.166
tors. eta vs tors. theta energy: -95.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1088.793274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.793274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.793274 (E_RNA)
where:
Base-Base interactions energy: -766.856
where: short stacking energy: -344.568
Base-Backbone interact. energy: -1.553
local terms energy: -320.384065
where:
bonds (distance) C4'-P energy: -56.476
bonds (distance) P-C4' energy: -60.164
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -46.095
tors. eta vs tors. theta energy: -94.830
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: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1049.306586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.306586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.306586 (E_RNA)
where:
Base-Base interactions energy: -743.595
where: short stacking energy: -298.449
Base-Backbone interact. energy: -1.295
local terms energy: -304.416708
where:
bonds (distance) C4'-P energy: -53.361
bonds (distance) P-C4' energy: -70.118
flat angles C4'-P-C4' energy: -60.836
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: -77.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1026.093776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.093776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.093776 (E_RNA)
where:
Base-Base interactions energy: -711.183
where: short stacking energy: -297.323
Base-Backbone interact. energy: -0.770
local terms energy: -314.140815
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -49.588
flat angles C4'-P-C4' energy: -70.209
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: -89.960
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1000.101211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.101211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.101211 (E_RNA)
where:
Base-Base interactions energy: -688.034
where: short stacking energy: -319.197
Base-Backbone interact. energy: 2.700
local terms energy: -314.767055
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -57.431
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -91.549
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -914.651651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.651651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.651651 (E_RNA)
where:
Base-Base interactions energy: -641.244
where: short stacking energy: -286.529
Base-Backbone interact. energy: -0.448
local terms energy: -272.959652
where:
bonds (distance) C4'-P energy: -54.710
bonds (distance) P-C4' energy: -43.797
flat angles C4'-P-C4' energy: -58.639
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -806.413870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.413870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.413870 (E_RNA)
where:
Base-Base interactions energy: -548.917
where: short stacking energy: -241.498
Base-Backbone interact. energy: -0.145
local terms energy: -257.352299
where:
bonds (distance) C4'-P energy: -51.574
bonds (distance) P-C4' energy: -61.209
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -52.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -717.157306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.157306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.157306 (E_RNA)
where:
Base-Base interactions energy: -485.824
where: short stacking energy: -215.708
Base-Backbone interact. energy: -0.589
local terms energy: -230.744424
where:
bonds (distance) C4'-P energy: -45.162
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -49.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -682.432295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.432295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.432295 (E_RNA)
where:
Base-Base interactions energy: -463.906
where: short stacking energy: -212.583
Base-Backbone interact. energy: -0.723
local terms energy: -217.803519
where:
bonds (distance) C4'-P energy: -41.293
bonds (distance) P-C4' energy: -64.507
flat angles C4'-P-C4' energy: -47.337
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -40.184
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: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -466.015189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.015189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.015189 (E_RNA)
where:
Base-Base interactions energy: -259.175
where: short stacking energy: -142.221
Base-Backbone interact. energy: -0.905
local terms energy: -205.935239
where:
bonds (distance) C4'-P energy: -54.712
bonds (distance) P-C4' energy: -67.453
flat angles C4'-P-C4' energy: -44.846
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1109.258569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.258569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.258569 (E_RNA)
where:
Base-Base interactions energy: -760.874
where: short stacking energy: -334.979
Base-Backbone interact. energy: -0.254
local terms energy: -348.130169
where:
bonds (distance) C4'-P energy: -58.818
bonds (distance) P-C4' energy: -69.694
flat angles C4'-P-C4' energy: -70.925
flat angles P-C4'-P energy: -50.210
tors. eta vs tors. theta energy: -98.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1068.178779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.178779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.178779 (E_RNA)
where:
Base-Base interactions energy: -753.156
where: short stacking energy: -331.204
Base-Backbone interact. energy: 3.065
local terms energy: -318.088296
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -66.787
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -94.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1045.371273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.371273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.371273 (E_RNA)
where:
Base-Base interactions energy: -734.564
where: short stacking energy: -299.438
Base-Backbone interact. energy: -1.251
local terms energy: -309.556357
where:
bonds (distance) C4'-P energy: -64.991
bonds (distance) P-C4' energy: -65.760
flat angles C4'-P-C4' energy: -58.864
flat angles P-C4'-P energy: -46.553
tors. eta vs tors. theta energy: -73.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1014.651945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.651945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.651945 (E_RNA)
where:
Base-Base interactions energy: -714.639
where: short stacking energy: -296.125
Base-Backbone interact. energy: -2.758
local terms energy: -297.255010
where:
bonds (distance) C4'-P energy: -58.848
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -65.726
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -89.452
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: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -980.524444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.524444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.524444 (E_RNA)
where:
Base-Base interactions energy: -671.641
where: short stacking energy: -302.619
Base-Backbone interact. energy: -2.563
local terms energy: -306.320616
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -56.828
flat angles C4'-P-C4' energy: -66.118
flat angles P-C4'-P energy: -45.688
tors. eta vs tors. theta energy: -91.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -910.411280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.411280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.411280 (E_RNA)
where:
Base-Base interactions energy: -646.788
where: short stacking energy: -270.209
Base-Backbone interact. energy: -1.171
local terms energy: -262.451661
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -47.819
flat angles C4'-P-C4' energy: -61.073
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -72.814
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: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -785.311198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.311198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.311198 (E_RNA)
where:
Base-Base interactions energy: -552.780
where: short stacking energy: -242.154
Base-Backbone interact. energy: 1.408
local terms energy: -233.939574
where:
bonds (distance) C4'-P energy: -52.059
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -54.759
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: -55.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -712.121507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.121507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.121507 (E_RNA)
where:
Base-Base interactions energy: -462.486
where: short stacking energy: -214.417
Base-Backbone interact. energy: -0.604
local terms energy: -249.032456
where:
bonds (distance) C4'-P energy: -54.665
bonds (distance) P-C4' energy: -52.778
flat angles C4'-P-C4' energy: -55.896
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -53.736
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: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -679.248084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.248084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.248084 (E_RNA)
where:
Base-Base interactions energy: -447.444
where: short stacking energy: -201.534
Base-Backbone interact. energy: -1.855
local terms energy: -229.948972
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -53.956
flat angles C4'-P-C4' energy: -48.568
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -460.759490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.759490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.759490 (E_RNA)
where:
Base-Base interactions energy: -269.864
where: short stacking energy: -142.802
Base-Backbone interact. energy: 2.857
local terms energy: -193.752755
where:
bonds (distance) C4'-P energy: -41.826
bonds (distance) P-C4' energy: -47.183
flat angles C4'-P-C4' energy: -48.891
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1084.065508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.065508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.065508 (E_RNA)
where:
Base-Base interactions energy: -745.030
where: short stacking energy: -328.921
Base-Backbone interact. energy: -0.089
local terms energy: -338.946702
where:
bonds (distance) C4'-P energy: -64.415
bonds (distance) P-C4' energy: -62.667
flat angles C4'-P-C4' energy: -70.275
flat angles P-C4'-P energy: -45.982
tors. eta vs tors. theta energy: -95.608
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: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1063.888015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.888015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.888015 (E_RNA)
where:
Base-Base interactions energy: -748.608
where: short stacking energy: -318.215
Base-Backbone interact. energy: 0.098
local terms energy: -315.377643
where:
bonds (distance) C4'-P energy: -58.427
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -65.527
flat angles P-C4'-P energy: -49.787
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1048.785238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.785238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.785238 (E_RNA)
where:
Base-Base interactions energy: -733.329
where: short stacking energy: -309.306
Base-Backbone interact. energy: -2.119
local terms energy: -313.337773
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -58.790
flat angles C4'-P-C4' energy: -65.992
flat angles P-C4'-P energy: -50.257
tors. eta vs tors. theta energy: -78.965
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: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -987.880763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.880763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.880763 (E_RNA)
where:
Base-Base interactions energy: -672.604
where: short stacking energy: -296.058
Base-Backbone interact. energy: -1.107
local terms energy: -314.169889
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -60.209
flat angles C4'-P-C4' energy: -67.919
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -86.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -961.666674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.666674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.666674 (E_RNA)
where:
Base-Base interactions energy: -681.145
where: short stacking energy: -286.972
Base-Backbone interact. energy: -0.468
local terms energy: -280.053719
where:
bonds (distance) C4'-P energy: -58.219
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -56.027
flat angles P-C4'-P energy: -41.717
tors. eta vs tors. theta energy: -82.245
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: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -924.977962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.977962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.977962 (E_RNA)
where:
Base-Base interactions energy: -651.244
where: short stacking energy: -257.692
Base-Backbone interact. energy: -1.218
local terms energy: -272.516448
where:
bonds (distance) C4'-P energy: -52.840
bonds (distance) P-C4' energy: -55.051
flat angles C4'-P-C4' energy: -56.490
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: -70.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -831.245580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.245580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.245580 (E_RNA)
where:
Base-Base interactions energy: -567.820
where: short stacking energy: -251.493
Base-Backbone interact. energy: -0.502
local terms energy: -262.924116
where:
bonds (distance) C4'-P energy: -54.258
bonds (distance) P-C4' energy: -48.802
flat angles C4'-P-C4' energy: -54.337
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -67.046
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: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -728.566922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.566922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.566922 (E_RNA)
where:
Base-Base interactions energy: -470.848
where: short stacking energy: -208.776
Base-Backbone interact. energy: -0.177
local terms energy: -257.541903
where:
bonds (distance) C4'-P energy: -55.737
bonds (distance) P-C4' energy: -60.054
flat angles C4'-P-C4' energy: -55.773
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -49.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -672.059698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.059698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.059698 (E_RNA)
where:
Base-Base interactions energy: -441.785
where: short stacking energy: -211.344
Base-Backbone interact. energy: -0.544
local terms energy: -229.729823
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -42.171
flat angles P-C4'-P energy: -36.171
tors. eta vs tors. theta energy: -46.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -427.579907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.579907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.579907 (E_RNA)
where:
Base-Base interactions energy: -260.481
where: short stacking energy: -130.776
Base-Backbone interact. energy: -1.089
local terms energy: -166.010191
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -48.315
flat angles C4'-P-C4' energy: -39.082
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -8.185
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: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1098.416266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.416266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.416266 (E_RNA)
where:
Base-Base interactions energy: -762.998
where: short stacking energy: -320.253
Base-Backbone interact. energy: -0.190
local terms energy: -335.227863
where:
bonds (distance) C4'-P energy: -64.345
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -64.173
flat angles P-C4'-P energy: -52.167
tors. eta vs tors. theta energy: -96.442
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: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1075.499174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.499174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.499174 (E_RNA)
where:
Base-Base interactions energy: -754.992
where: short stacking energy: -338.590
Base-Backbone interact. energy: -1.497
local terms energy: -319.010375
where:
bonds (distance) C4'-P energy: -52.388
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -59.435
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -100.533
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: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1044.178974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.178974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.178974 (E_RNA)
where:
Base-Base interactions energy: -741.106
where: short stacking energy: -303.702
Base-Backbone interact. energy: 0.043
local terms energy: -303.115819
where:
bonds (distance) C4'-P energy: -65.585
bonds (distance) P-C4' energy: -55.572
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -77.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -995.373770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.373770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.373770 (E_RNA)
where:
Base-Base interactions energy: -687.029
where: short stacking energy: -325.351
Base-Backbone interact. energy: 0.011
local terms energy: -308.356068
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -65.744
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: -92.815
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -951.354018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.354018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.354018 (E_RNA)
where:
Base-Base interactions energy: -666.320
where: short stacking energy: -278.920
Base-Backbone interact. energy: -0.041
local terms energy: -284.992679
where:
bonds (distance) C4'-P energy: -62.049
bonds (distance) P-C4' energy: -49.534
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: -70.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -929.898524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.898524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.898524 (E_RNA)
where:
Base-Base interactions energy: -651.381
where: short stacking energy: -267.142
Base-Backbone interact. energy: -0.871
local terms energy: -277.647003
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -55.658
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -81.053
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: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -811.467823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.467823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.467823 (E_RNA)
where:
Base-Base interactions energy: -560.116
where: short stacking energy: -241.968
Base-Backbone interact. energy: 0.802
local terms energy: -252.154258
where:
bonds (distance) C4'-P energy: -48.600
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -64.620
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: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -719.366469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.366469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.366469 (E_RNA)
where:
Base-Base interactions energy: -467.131
where: short stacking energy: -199.785
Base-Backbone interact. energy: -0.924
local terms energy: -251.311909
where:
bonds (distance) C4'-P energy: -49.686
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -53.370
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -43.514
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: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -673.034728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.034728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.034728 (E_RNA)
where:
Base-Base interactions energy: -444.599
where: short stacking energy: -210.281
Base-Backbone interact. energy: 0.391
local terms energy: -228.827063
where:
bonds (distance) C4'-P energy: -53.828
bonds (distance) P-C4' energy: -41.156
flat angles C4'-P-C4' energy: -56.065
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: -45.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -428.777780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.777780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.777780 (E_RNA)
where:
Base-Base interactions energy: -225.923
where: short stacking energy: -136.460
Base-Backbone interact. energy: -0.599
local terms energy: -202.255193
where:
bonds (distance) C4'-P energy: -45.243
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -52.851
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -21.344
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: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1104.208903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.208903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.208903 (E_RNA)
where:
Base-Base interactions energy: -750.209
where: short stacking energy: -322.627
Base-Backbone interact. energy: -0.764
local terms energy: -353.236215
where:
bonds (distance) C4'-P energy: -67.604
bonds (distance) P-C4' energy: -68.285
flat angles C4'-P-C4' energy: -76.526
flat angles P-C4'-P energy: -39.978
tors. eta vs tors. theta energy: -100.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1073.320539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.320539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.320539 (E_RNA)
where:
Base-Base interactions energy: -753.401
where: short stacking energy: -342.956
Base-Backbone interact. energy: 0.747
local terms energy: -320.666969
where:
bonds (distance) C4'-P energy: -56.461
bonds (distance) P-C4' energy: -63.484
flat angles C4'-P-C4' energy: -68.631
flat angles P-C4'-P energy: -42.287
tors. eta vs tors. theta energy: -89.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1055.156596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.156596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.156596 (E_RNA)
where:
Base-Base interactions energy: -761.390
where: short stacking energy: -314.286
Base-Backbone interact. energy: -1.540
local terms energy: -292.226721
where:
bonds (distance) C4'-P energy: -56.815
bonds (distance) P-C4' energy: -53.207
flat angles C4'-P-C4' energy: -61.676
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -79.588
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: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1016.143998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.143998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.143998 (E_RNA)
where:
Base-Base interactions energy: -685.718
where: short stacking energy: -313.881
Base-Backbone interact. energy: -1.105
local terms energy: -329.321019
where:
bonds (distance) C4'-P energy: -64.117
bonds (distance) P-C4' energy: -61.056
flat angles C4'-P-C4' energy: -65.661
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -95.710
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: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -932.965826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.965826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.965826 (E_RNA)
where:
Base-Base interactions energy: -642.946
where: short stacking energy: -271.537
Base-Backbone interact. energy: -0.997
local terms energy: -289.023152
where:
bonds (distance) C4'-P energy: -58.073
bonds (distance) P-C4' energy: -57.457
flat angles C4'-P-C4' energy: -63.990
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -73.607
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: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -931.095584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.095584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.095584 (E_RNA)
where:
Base-Base interactions energy: -639.332
where: short stacking energy: -274.495
Base-Backbone interact. energy: -3.491
local terms energy: -288.273251
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -68.672
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: -72.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -855.068099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.068099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.068099 (E_RNA)
where:
Base-Base interactions energy: -584.592
where: short stacking energy: -255.193
Base-Backbone interact. energy: -1.150
local terms energy: -269.326397
where:
bonds (distance) C4'-P energy: -45.895
bonds (distance) P-C4' energy: -49.003
flat angles C4'-P-C4' energy: -57.546
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -78.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -774.451821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.451821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.451821 (E_RNA)
where:
Base-Base interactions energy: -510.026
where: short stacking energy: -212.439
Base-Backbone interact. energy: -1.170
local terms energy: -263.255767
where:
bonds (distance) C4'-P energy: -47.379
bonds (distance) P-C4' energy: -68.281
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -54.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -676.183012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.183012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.183012 (E_RNA)
where:
Base-Base interactions energy: -445.230
where: short stacking energy: -203.369
Base-Backbone interact. energy: 0.500
local terms energy: -231.453713
where:
bonds (distance) C4'-P energy: -51.420
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -50.562
flat angles P-C4'-P energy: -33.481
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: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -460.880143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.880143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.880143 (E_RNA)
where:
Base-Base interactions energy: -281.272
where: short stacking energy: -116.264
Base-Backbone interact. energy: 1.656
local terms energy: -181.264023
where:
bonds (distance) C4'-P energy: -56.202
bonds (distance) P-C4' energy: -42.862
flat angles C4'-P-C4' energy: -34.876
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1081.300808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.300808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.300808 (E_RNA)
where:
Base-Base interactions energy: -741.827
where: short stacking energy: -315.872
Base-Backbone interact. energy: -0.556
local terms energy: -338.918370
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -61.712
flat angles C4'-P-C4' energy: -65.530
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -96.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1080.994645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.994645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.994645 (E_RNA)
where:
Base-Base interactions energy: -751.258
where: short stacking energy: -333.926
Base-Backbone interact. energy: -1.522
local terms energy: -328.214571
where:
bonds (distance) C4'-P energy: -58.988
bonds (distance) P-C4' energy: -64.939
flat angles C4'-P-C4' energy: -68.905
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -97.249
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: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1043.070101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.070101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.070101 (E_RNA)
where:
Base-Base interactions energy: -743.732
where: short stacking energy: -305.215
Base-Backbone interact. energy: -2.840
local terms energy: -296.497871
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -56.007
flat angles C4'-P-C4' energy: -60.372
flat angles P-C4'-P energy: -48.353
tors. eta vs tors. theta energy: -73.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1001.690474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.690474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.690474 (E_RNA)
where:
Base-Base interactions energy: -697.106
where: short stacking energy: -322.438
Base-Backbone interact. energy: -0.263
local terms energy: -304.321787
where:
bonds (distance) C4'-P energy: -53.701
bonds (distance) P-C4' energy: -57.205
flat angles C4'-P-C4' energy: -58.320
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -90.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -957.909479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.909479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.909479 (E_RNA)
where:
Base-Base interactions energy: -667.467
where: short stacking energy: -285.585
Base-Backbone interact. energy: -1.455
local terms energy: -288.987622
where:
bonds (distance) C4'-P energy: -51.671
bonds (distance) P-C4' energy: -63.956
flat angles C4'-P-C4' energy: -67.714
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -70.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -919.871307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.871307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.871307 (E_RNA)
where:
Base-Base interactions energy: -639.671
where: short stacking energy: -255.259
Base-Backbone interact. energy: -0.164
local terms energy: -280.036330
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -64.986
flat angles C4'-P-C4' energy: -56.558
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -67.618
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -778.030033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.030033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.030033 (E_RNA)
where:
Base-Base interactions energy: -519.772
where: short stacking energy: -240.381
Base-Backbone interact. energy: 0.699
local terms energy: -258.957473
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -59.421
flat angles C4'-P-C4' energy: -58.294
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -59.336
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: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -770.408288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.408288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.408288 (E_RNA)
where:
Base-Base interactions energy: -512.775
where: short stacking energy: -229.913
Base-Backbone interact. energy: 1.011
local terms energy: -258.644891
where:
bonds (distance) C4'-P energy: -52.205
bonds (distance) P-C4' energy: -58.145
flat angles C4'-P-C4' energy: -53.399
flat angles P-C4'-P energy: -38.236
tors. eta vs tors. theta energy: -56.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -682.016242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.016242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.016242 (E_RNA)
where:
Base-Base interactions energy: -445.936
where: short stacking energy: -208.970
Base-Backbone interact. energy: 0.904
local terms energy: -236.984918
where:
bonds (distance) C4'-P energy: -45.046
bonds (distance) P-C4' energy: -55.580
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -48.834
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: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -489.380989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.380989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.380989 (E_RNA)
where:
Base-Base interactions energy: -300.390
where: short stacking energy: -139.024
Base-Backbone interact. energy: -2.977
local terms energy: -186.013721
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -21.234
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1079.454641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.454641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.454641 (E_RNA)
where:
Base-Base interactions energy: -752.317
where: short stacking energy: -316.450
Base-Backbone interact. energy: -0.814
local terms energy: -326.323798
where:
bonds (distance) C4'-P energy: -57.069
bonds (distance) P-C4' energy: -63.247
flat angles C4'-P-C4' energy: -66.559
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -95.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1063.373272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.373272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.373272 (E_RNA)
where:
Base-Base interactions energy: -744.174
where: short stacking energy: -324.072
Base-Backbone interact. energy: -1.216
local terms energy: -317.983244
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -70.202
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -92.752
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: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1056.571460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.571460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.571460 (E_RNA)
where:
Base-Base interactions energy: -735.037
where: short stacking energy: -302.031
Base-Backbone interact. energy: -1.156
local terms energy: -320.378218
where:
bonds (distance) C4'-P energy: -66.750
bonds (distance) P-C4' energy: -58.868
flat angles C4'-P-C4' energy: -68.813
flat angles P-C4'-P energy: -50.284
tors. eta vs tors. theta energy: -75.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1001.342953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.342953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.342953 (E_RNA)
where:
Base-Base interactions energy: -685.554
where: short stacking energy: -305.792
Base-Backbone interact. energy: -1.743
local terms energy: -314.045772
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -57.643
flat angles C4'-P-C4' energy: -68.061
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -95.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -946.296378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.296378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.296378 (E_RNA)
where:
Base-Base interactions energy: -690.684
where: short stacking energy: -290.577
Base-Backbone interact. energy: 2.582
local terms energy: -258.194098
where:
bonds (distance) C4'-P energy: -60.732
bonds (distance) P-C4' energy: -43.269
flat angles C4'-P-C4' energy: -43.126
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -79.099
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: 309
Temperature: 1.150000
Total energy: -897.575086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.575086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.575086 (E_RNA)
where:
Base-Base interactions energy: -637.446
where: short stacking energy: -265.705
Base-Backbone interact. energy: -0.304
local terms energy: -259.825108
where:
bonds (distance) C4'-P energy: -41.535
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -58.284
flat angles P-C4'-P energy: -36.517
tors. eta vs tors. theta energy: -71.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -811.343108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.343108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.343108 (E_RNA)
where:
Base-Base interactions energy: -542.052
where: short stacking energy: -243.395
Base-Backbone interact. energy: -1.523
local terms energy: -267.768538
where:
bonds (distance) C4'-P energy: -42.946
bonds (distance) P-C4' energy: -56.162
flat angles C4'-P-C4' energy: -59.781
flat angles P-C4'-P energy: -45.917
tors. eta vs tors. theta energy: -62.963
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: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -697.782930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.782930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.782930 (E_RNA)
where:
Base-Base interactions energy: -448.573
where: short stacking energy: -217.151
Base-Backbone interact. energy: -0.763
local terms energy: -248.446927
where:
bonds (distance) C4'-P energy: -50.243
bonds (distance) P-C4' energy: -58.744
flat angles C4'-P-C4' energy: -51.911
flat angles P-C4'-P energy: -41.805
tors. eta vs tors. theta energy: -45.744
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -722.327288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.327288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.327288 (E_RNA)
where:
Base-Base interactions energy: -494.361
where: short stacking energy: -214.487
Base-Backbone interact. energy: 2.173
local terms energy: -230.139510
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -51.273
flat angles P-C4'-P energy: -32.445
tors. eta vs tors. theta energy: -45.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -500.305991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.305991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.305991 (E_RNA)
where:
Base-Base interactions energy: -309.937
where: short stacking energy: -144.755
Base-Backbone interact. energy: 0.358
local terms energy: -190.727024
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -50.158
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -19.111
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: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1074.046188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.046188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.046188 (E_RNA)
where:
Base-Base interactions energy: -740.012
where: short stacking energy: -310.697
Base-Backbone interact. energy: -1.158
local terms energy: -332.876164
where:
bonds (distance) C4'-P energy: -69.951
bonds (distance) P-C4' energy: -63.136
flat angles C4'-P-C4' energy: -66.034
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: -94.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1078.100385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.100385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.100385 (E_RNA)
where:
Base-Base interactions energy: -754.266
where: short stacking energy: -329.490
Base-Backbone interact. energy: -1.082
local terms energy: -322.751745
where:
bonds (distance) C4'-P energy: -58.566
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -72.459
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -91.314
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: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1053.295910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.295910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.295910 (E_RNA)
where:
Base-Base interactions energy: -753.579
where: short stacking energy: -314.397
Base-Backbone interact. energy: -2.215
local terms energy: -297.501989
where:
bonds (distance) C4'-P energy: -60.822
bonds (distance) P-C4' energy: -51.679
flat angles C4'-P-C4' energy: -65.043
flat angles P-C4'-P energy: -41.140
tors. eta vs tors. theta energy: -78.818
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: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1019.393531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.393531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.393531 (E_RNA)
where:
Base-Base interactions energy: -706.790
where: short stacking energy: -313.297
Base-Backbone interact. energy: -1.193
local terms energy: -311.410499
where:
bonds (distance) C4'-P energy: -55.501
bonds (distance) P-C4' energy: -40.736
flat angles C4'-P-C4' energy: -65.492
flat angles P-C4'-P energy: -49.464
tors. eta vs tors. theta energy: -100.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -965.055875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.055875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.055875 (E_RNA)
where:
Base-Base interactions energy: -682.289
where: short stacking energy: -287.693
Base-Backbone interact. energy: -1.726
local terms energy: -281.039994
where:
bonds (distance) C4'-P energy: -56.375
bonds (distance) P-C4' energy: -53.683
flat angles C4'-P-C4' energy: -59.618
flat angles P-C4'-P energy: -31.497
tors. eta vs tors. theta energy: -79.867
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: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -917.071178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.071178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.071178 (E_RNA)
where:
Base-Base interactions energy: -628.183
where: short stacking energy: -265.898
Base-Backbone interact. energy: -1.485
local terms energy: -287.403008
where:
bonds (distance) C4'-P energy: -61.311
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -62.774
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: -75.561
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: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -850.164248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.164248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.164248 (E_RNA)
where:
Base-Base interactions energy: -574.226
where: short stacking energy: -258.598
Base-Backbone interact. energy: 0.107
local terms energy: -276.045652
where:
bonds (distance) C4'-P energy: -58.474
bonds (distance) P-C4' energy: -55.132
flat angles C4'-P-C4' energy: -58.871
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -69.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -697.186356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.186356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.186356 (E_RNA)
where:
Base-Base interactions energy: -462.423
where: short stacking energy: -224.951
Base-Backbone interact. energy: -2.210
local terms energy: -232.553047
where:
bonds (distance) C4'-P energy: -49.172
bonds (distance) P-C4' energy: -57.396
flat angles C4'-P-C4' energy: -49.394
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -43.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -702.629955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.629955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.629955 (E_RNA)
where:
Base-Base interactions energy: -464.130
where: short stacking energy: -194.780
Base-Backbone interact. energy: -2.293
local terms energy: -236.207151
where:
bonds (distance) C4'-P energy: -55.386
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -61.701
flat angles P-C4'-P energy: -29.962
tors. eta vs tors. theta energy: -45.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -524.556199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.556199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.556199 (E_RNA)
where:
Base-Base interactions energy: -308.806
where: short stacking energy: -141.646
Base-Backbone interact. energy: 4.221
local terms energy: -219.971146
where:
bonds (distance) C4'-P energy: -50.201
bonds (distance) P-C4' energy: -56.939
flat angles C4'-P-C4' energy: -55.285
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1106.083151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.083151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.083151 (E_RNA)
where:
Base-Base interactions energy: -767.614
where: short stacking energy: -331.226
Base-Backbone interact. energy: -0.461
local terms energy: -338.008368
where:
bonds (distance) C4'-P energy: -67.056
bonds (distance) P-C4' energy: -69.462
flat angles C4'-P-C4' energy: -62.448
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -100.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1096.365465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.365465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.365465 (E_RNA)
where:
Base-Base interactions energy: -780.237
where: short stacking energy: -302.500
Base-Backbone interact. energy: 1.341
local terms energy: -317.470315
where:
bonds (distance) C4'-P energy: -59.022
bonds (distance) P-C4' energy: -57.763
flat angles C4'-P-C4' energy: -68.603
flat angles P-C4'-P energy: -53.318
tors. eta vs tors. theta energy: -78.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1043.584736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.584736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.584736 (E_RNA)
where:
Base-Base interactions energy: -723.417
where: short stacking energy: -315.205
Base-Backbone interact. energy: -2.761
local terms energy: -317.406752
where:
bonds (distance) C4'-P energy: -50.098
bonds (distance) P-C4' energy: -58.379
flat angles C4'-P-C4' energy: -71.763
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -95.419
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: 311
Temperature: 1.050000
Total energy: -993.277257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.277257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.277257 (E_RNA)
where:
Base-Base interactions energy: -700.487
where: short stacking energy: -307.950
Base-Backbone interact. energy: -2.102
local terms energy: -290.688293
where:
bonds (distance) C4'-P energy: -57.007
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -53.954
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: -84.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -984.251196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.251196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.251196 (E_RNA)
where:
Base-Base interactions energy: -699.206
where: short stacking energy: -313.720
Base-Backbone interact. energy: -0.638
local terms energy: -284.407246
where:
bonds (distance) C4'-P energy: -47.876
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -61.233
flat angles P-C4'-P energy: -39.217
tors. eta vs tors. theta energy: -91.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -909.702356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.702356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.702356 (E_RNA)
where:
Base-Base interactions energy: -629.650
where: short stacking energy: -270.936
Base-Backbone interact. energy: -1.280
local terms energy: -278.772269
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -51.768
flat angles C4'-P-C4' energy: -60.539
flat angles P-C4'-P energy: -34.711
tors. eta vs tors. theta energy: -79.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -808.929207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.929207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.929207 (E_RNA)
where:
Base-Base interactions energy: -534.289
where: short stacking energy: -243.091
Base-Backbone interact. energy: 2.165
local terms energy: -276.804952
where:
bonds (distance) C4'-P energy: -60.833
bonds (distance) P-C4' energy: -57.015
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -36.162
tors. eta vs tors. theta energy: -61.229
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: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -709.614279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.614279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.614279 (E_RNA)
where:
Base-Base interactions energy: -458.752
where: short stacking energy: -210.146
Base-Backbone interact. energy: -0.748
local terms energy: -250.114363
where:
bonds (distance) C4'-P energy: -54.352
bonds (distance) P-C4' energy: -60.610
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -32.931
tors. eta vs tors. theta energy: -52.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -625.406345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.406345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.406345 (E_RNA)
where:
Base-Base interactions energy: -390.536
where: short stacking energy: -182.645
Base-Backbone interact. energy: -1.151
local terms energy: -233.719267
where:
bonds (distance) C4'-P energy: -43.117
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -58.488
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -46.528
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: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -521.438790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.438790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.438790 (E_RNA)
where:
Base-Base interactions energy: -309.907
where: short stacking energy: -148.753
Base-Backbone interact. energy: -0.134
local terms energy: -211.398024
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -53.043
flat angles P-C4'-P energy: -36.197
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1072.236886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.236886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.236886 (E_RNA)
where:
Base-Base interactions energy: -765.027
where: short stacking energy: -305.029
Base-Backbone interact. energy: -3.176
local terms energy: -304.033336
where:
bonds (distance) C4'-P energy: -59.351
bonds (distance) P-C4' energy: -58.552
flat angles C4'-P-C4' energy: -69.926
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -73.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1083.312723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.312723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.312723 (E_RNA)
where:
Base-Base interactions energy: -755.963
where: short stacking energy: -328.839
Base-Backbone interact. energy: -0.172
local terms energy: -327.177887
where:
bonds (distance) C4'-P energy: -60.227
bonds (distance) P-C4' energy: -58.997
flat angles C4'-P-C4' energy: -68.370
flat angles P-C4'-P energy: -43.601
tors. eta vs tors. theta energy: -95.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1030.421729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.421729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.421729 (E_RNA)
where:
Base-Base interactions energy: -718.426
where: short stacking energy: -307.745
Base-Backbone interact. energy: 2.482
local terms energy: -314.477490
where:
bonds (distance) C4'-P energy: -58.510
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -67.300
flat angles P-C4'-P energy: -41.710
tors. eta vs tors. theta energy: -92.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1033.439882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.439882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.439882 (E_RNA)
where:
Base-Base interactions energy: -717.833
where: short stacking energy: -315.338
Base-Backbone interact. energy: -1.811
local terms energy: -313.795723
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -51.686
flat angles C4'-P-C4' energy: -65.481
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -92.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -989.461003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.461003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.461003 (E_RNA)
where:
Base-Base interactions energy: -702.519
where: short stacking energy: -328.139
Base-Backbone interact. energy: -0.752
local terms energy: -286.190259
where:
bonds (distance) C4'-P energy: -45.559
bonds (distance) P-C4' energy: -49.912
flat angles C4'-P-C4' energy: -59.051
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -93.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -949.410669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.410669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.410669 (E_RNA)
where:
Base-Base interactions energy: -655.634
where: short stacking energy: -276.423
Base-Backbone interact. energy: -1.466
local terms energy: -292.310552
where:
bonds (distance) C4'-P energy: -54.501
bonds (distance) P-C4' energy: -53.309
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -47.883
tors. eta vs tors. theta energy: -83.787
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: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -811.765906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.765906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.765906 (E_RNA)
where:
Base-Base interactions energy: -544.204
where: short stacking energy: -242.079
Base-Backbone interact. energy: -2.718
local terms energy: -264.843972
where:
bonds (distance) C4'-P energy: -49.098
bonds (distance) P-C4' energy: -58.795
flat angles C4'-P-C4' energy: -49.798
flat angles P-C4'-P energy: -47.257
tors. eta vs tors. theta energy: -59.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -688.100680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.100680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.100680 (E_RNA)
where:
Base-Base interactions energy: -443.522
where: short stacking energy: -196.755
Base-Backbone interact. energy: -2.321
local terms energy: -242.257555
where:
bonds (distance) C4'-P energy: -49.780
bonds (distance) P-C4' energy: -60.487
flat angles C4'-P-C4' energy: -56.847
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -45.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -586.659923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.659923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.659923 (E_RNA)
where:
Base-Base interactions energy: -383.499
where: short stacking energy: -178.939
Base-Backbone interact. energy: -0.575
local terms energy: -202.585687
where:
bonds (distance) C4'-P energy: -53.742
bonds (distance) P-C4' energy: -45.726
flat angles C4'-P-C4' energy: -52.478
flat angles P-C4'-P energy: -27.813
tors. eta vs tors. theta energy: -22.827
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: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -493.088451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.088451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.088451 (E_RNA)
where:
Base-Base interactions energy: -303.528
where: short stacking energy: -148.773
Base-Backbone interact. energy: -0.494
local terms energy: -189.066741
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -54.704
flat angles C4'-P-C4' energy: -34.831
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1092.589752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.589752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.589752 (E_RNA)
where:
Base-Base interactions energy: -793.538
where: short stacking energy: -317.124
Base-Backbone interact. energy: -2.405
local terms energy: -296.647545
where:
bonds (distance) C4'-P energy: -54.338
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -70.792
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -77.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1062.487718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.487718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.487718 (E_RNA)
where:
Base-Base interactions energy: -738.098
where: short stacking energy: -335.144
Base-Backbone interact. energy: -0.583
local terms energy: -323.806663
where:
bonds (distance) C4'-P energy: -53.590
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -66.909
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -98.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1037.251173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.251173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.251173 (E_RNA)
where:
Base-Base interactions energy: -720.399
where: short stacking energy: -312.254
Base-Backbone interact. energy: -0.338
local terms energy: -316.514029
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -55.213
flat angles C4'-P-C4' energy: -66.715
flat angles P-C4'-P energy: -50.410
tors. eta vs tors. theta energy: -86.626
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: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1036.661125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.661125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.661125 (E_RNA)
where:
Base-Base interactions energy: -721.971
where: short stacking energy: -320.510
Base-Backbone interact. energy: 0.372
local terms energy: -315.062732
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -68.823
flat angles C4'-P-C4' energy: -60.096
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -98.421
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: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -985.427880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.427880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.427880 (E_RNA)
where:
Base-Base interactions energy: -667.387
where: short stacking energy: -298.812
Base-Backbone interact. energy: -2.819
local terms energy: -315.221687
where:
bonds (distance) C4'-P energy: -64.183
bonds (distance) P-C4' energy: -46.439
flat angles C4'-P-C4' energy: -67.781
flat angles P-C4'-P energy: -47.633
tors. eta vs tors. theta energy: -89.185
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: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -949.342044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.342044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.342044 (E_RNA)
where:
Base-Base interactions energy: -654.936
where: short stacking energy: -288.148
Base-Backbone interact. energy: -1.777
local terms energy: -292.629352
where:
bonds (distance) C4'-P energy: -48.848
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -63.880
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -88.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -808.627934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.627934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.627934 (E_RNA)
where:
Base-Base interactions energy: -547.896
where: short stacking energy: -246.804
Base-Backbone interact. energy: -5.126
local terms energy: -255.605314
where:
bonds (distance) C4'-P energy: -55.320
bonds (distance) P-C4' energy: -47.794
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -65.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -673.255258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.255258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.255258 (E_RNA)
where:
Base-Base interactions energy: -434.165
where: short stacking energy: -198.371
Base-Backbone interact. energy: -1.336
local terms energy: -237.753442
where:
bonds (distance) C4'-P energy: -55.918
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -54.115
flat angles P-C4'-P energy: -39.854
tors. eta vs tors. theta energy: -32.160
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: 313
Temperature: 1.300000
Total energy: -589.570087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.570087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.570087 (E_RNA)
where:
Base-Base interactions energy: -394.145
where: short stacking energy: -174.301
Base-Backbone interact. energy: -3.332
local terms energy: -192.092851
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -54.362
flat angles C4'-P-C4' energy: -51.404
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -22.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -478.618603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.618603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.618603 (E_RNA)
where:
Base-Base interactions energy: -288.631
where: short stacking energy: -125.592
Base-Backbone interact. energy: 0.074
local terms energy: -190.061729
where:
bonds (distance) C4'-P energy: -48.336
bonds (distance) P-C4' energy: -50.008
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1091.676502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.676502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.676502 (E_RNA)
where:
Base-Base interactions energy: -752.102
where: short stacking energy: -333.582
Base-Backbone interact. energy: -0.693
local terms energy: -338.881435
where:
bonds (distance) C4'-P energy: -60.558
bonds (distance) P-C4' energy: -58.507
flat angles C4'-P-C4' energy: -73.544
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -96.269
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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1071.236897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.236897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.236897 (E_RNA)
where:
Base-Base interactions energy: -756.333
where: short stacking energy: -300.717
Base-Backbone interact. energy: 3.172
local terms energy: -318.075694
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -64.719
flat angles C4'-P-C4' energy: -73.515
flat angles P-C4'-P energy: -46.642
tors. eta vs tors. theta energy: -76.449
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: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1049.089256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.089256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.089256 (E_RNA)
where:
Base-Base interactions energy: -743.047
where: short stacking energy: -327.941
Base-Backbone interact. energy: -1.001
local terms energy: -305.042001
where:
bonds (distance) C4'-P energy: -57.250
bonds (distance) P-C4' energy: -53.946
flat angles C4'-P-C4' energy: -65.159
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -90.871
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: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1000.785960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.785960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.785960 (E_RNA)
where:
Base-Base interactions energy: -676.387
where: short stacking energy: -293.522
Base-Backbone interact. energy: -1.642
local terms energy: -322.756911
where:
bonds (distance) C4'-P energy: -60.092
bonds (distance) P-C4' energy: -60.911
flat angles C4'-P-C4' energy: -65.142
flat angles P-C4'-P energy: -47.923
tors. eta vs tors. theta energy: -88.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -985.407538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.407538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.407538 (E_RNA)
where:
Base-Base interactions energy: -674.539
where: short stacking energy: -305.698
Base-Backbone interact. energy: -0.164
local terms energy: -310.704575
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -57.701
flat angles C4'-P-C4' energy: -62.315
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -90.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -963.437630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.437630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.437630 (E_RNA)
where:
Base-Base interactions energy: -692.529
where: short stacking energy: -290.212
Base-Backbone interact. energy: -1.176
local terms energy: -269.732359
where:
bonds (distance) C4'-P energy: -44.803
bonds (distance) P-C4' energy: -46.810
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -80.275
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -803.563932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.563932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.563932 (E_RNA)
where:
Base-Base interactions energy: -555.594
where: short stacking energy: -238.775
Base-Backbone interact. energy: -0.376
local terms energy: -247.593659
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -55.736
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -53.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -680.769163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.769163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.769163 (E_RNA)
where:
Base-Base interactions energy: -450.760
where: short stacking energy: -199.216
Base-Backbone interact. energy: -1.046
local terms energy: -228.963640
where:
bonds (distance) C4'-P energy: -60.645
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -56.176
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -41.148
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: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -627.613888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.613888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.613888 (E_RNA)
where:
Base-Base interactions energy: -388.881
where: short stacking energy: -173.402
Base-Backbone interact. energy: -1.042
local terms energy: -237.690904
where:
bonds (distance) C4'-P energy: -60.863
bonds (distance) P-C4' energy: -49.792
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -37.579
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: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -472.936202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.936202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.936202 (E_RNA)
where:
Base-Base interactions energy: -269.257
where: short stacking energy: -140.624
Base-Backbone interact. energy: -0.696
local terms energy: -202.983282
where:
bonds (distance) C4'-P energy: -42.161
bonds (distance) P-C4' energy: -49.756
flat angles C4'-P-C4' energy: -44.232
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -27.883
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: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1101.029956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.029956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.029956 (E_RNA)
where:
Base-Base interactions energy: -761.755
where: short stacking energy: -335.784
Base-Backbone interact. energy: -0.655
local terms energy: -338.619803
where:
bonds (distance) C4'-P energy: -57.690
bonds (distance) P-C4' energy: -60.959
flat angles C4'-P-C4' energy: -72.535
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -101.947
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: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1057.244411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.244411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.244411 (E_RNA)
where:
Base-Base interactions energy: -748.002
where: short stacking energy: -294.101
Base-Backbone interact. energy: -1.622
local terms energy: -307.619976
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -58.272
flat angles C4'-P-C4' energy: -68.922
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: -77.265
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1038.188942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.188942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.188942 (E_RNA)
where:
Base-Base interactions energy: -700.618
where: short stacking energy: -313.158
Base-Backbone interact. energy: -0.888
local terms energy: -336.683128
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -67.850
flat angles C4'-P-C4' energy: -68.938
flat angles P-C4'-P energy: -52.395
tors. eta vs tors. theta energy: -92.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -999.421746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.421746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.421746 (E_RNA)
where:
Base-Base interactions energy: -690.687
where: short stacking energy: -318.710
Base-Backbone interact. energy: -1.096
local terms energy: -307.638767
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -50.166
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -44.809
tors. eta vs tors. theta energy: -92.879
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: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -985.972954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.972954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.972954 (E_RNA)
where:
Base-Base interactions energy: -701.601
where: short stacking energy: -311.941
Base-Backbone interact. energy: -1.844
local terms energy: -282.528254
where:
bonds (distance) C4'-P energy: -33.676
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -66.014
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -86.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -839.425954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.425954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.425954 (E_RNA)
where:
Base-Base interactions energy: -569.937
where: short stacking energy: -236.405
Base-Backbone interact. energy: -0.978
local terms energy: -268.510308
where:
bonds (distance) C4'-P energy: -62.389
bonds (distance) P-C4' energy: -57.401
flat angles C4'-P-C4' energy: -62.560
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -54.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -901.674986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.674986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.674986 (E_RNA)
where:
Base-Base interactions energy: -633.016
where: short stacking energy: -284.334
Base-Backbone interact. energy: -0.767
local terms energy: -267.891385
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -51.884
flat angles C4'-P-C4' energy: -49.939
flat angles P-C4'-P energy: -30.773
tors. eta vs tors. theta energy: -81.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -664.578644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.578644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.578644 (E_RNA)
where:
Base-Base interactions energy: -420.894
where: short stacking energy: -195.156
Base-Backbone interact. energy: -1.052
local terms energy: -242.631846
where:
bonds (distance) C4'-P energy: -61.571
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: -48.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -628.819727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.819727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.819727 (E_RNA)
where:
Base-Base interactions energy: -388.532
where: short stacking energy: -169.867
Base-Backbone interact. energy: -0.643
local terms energy: -239.644102
where:
bonds (distance) C4'-P energy: -57.545
bonds (distance) P-C4' energy: -45.669
flat angles C4'-P-C4' energy: -63.315
flat angles P-C4'-P energy: -34.558
tors. eta vs tors. theta energy: -38.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -443.711786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.711786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.711786 (E_RNA)
where:
Base-Base interactions energy: -254.741
where: short stacking energy: -138.884
Base-Backbone interact. energy: -0.812
local terms energy: -188.158697
where:
bonds (distance) C4'-P energy: -56.504
bonds (distance) P-C4' energy: -55.515
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1104.136648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.136648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.136648 (E_RNA)
where:
Base-Base interactions energy: -775.353
where: short stacking energy: -337.667
Base-Backbone interact. energy: -1.137
local terms energy: -327.646535
where:
bonds (distance) C4'-P energy: -65.017
bonds (distance) P-C4' energy: -59.174
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -44.573
tors. eta vs tors. theta energy: -92.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1058.124219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.124219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.124219 (E_RNA)
where:
Base-Base interactions energy: -761.266
where: short stacking energy: -308.426
Base-Backbone interact. energy: -0.996
local terms energy: -295.862955
where:
bonds (distance) C4'-P energy: -61.988
bonds (distance) P-C4' energy: -50.984
flat angles C4'-P-C4' energy: -65.834
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -81.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1042.108966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.108966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.108966 (E_RNA)
where:
Base-Base interactions energy: -726.665
where: short stacking energy: -331.502
Base-Backbone interact. energy: 1.502
local terms energy: -316.946258
where:
bonds (distance) C4'-P energy: -66.571
bonds (distance) P-C4' energy: -46.022
flat angles C4'-P-C4' energy: -66.593
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -95.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -958.958918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.958918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.958918 (E_RNA)
where:
Base-Base interactions energy: -664.954
where: short stacking energy: -302.659
Base-Backbone interact. energy: -0.751
local terms energy: -293.253285
where:
bonds (distance) C4'-P energy: -49.190
bonds (distance) P-C4' energy: -56.722
flat angles C4'-P-C4' energy: -72.811
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -81.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -952.523931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.523931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.523931 (E_RNA)
where:
Base-Base interactions energy: -667.521
where: short stacking energy: -297.556
Base-Backbone interact. energy: -0.712
local terms energy: -284.290752
where:
bonds (distance) C4'-P energy: -59.134
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: -75.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -789.960954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.960954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.960954 (E_RNA)
where:
Base-Base interactions energy: -541.025
where: short stacking energy: -234.300
Base-Backbone interact. energy: -0.640
local terms energy: -248.295736
where:
bonds (distance) C4'-P energy: -54.392
bonds (distance) P-C4' energy: -52.171
flat angles C4'-P-C4' energy: -59.240
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -47.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -920.498733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.498733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.498733 (E_RNA)
where:
Base-Base interactions energy: -641.574
where: short stacking energy: -287.628
Base-Backbone interact. energy: -1.317
local terms energy: -277.607327
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -47.646
flat angles C4'-P-C4' energy: -61.064
flat angles P-C4'-P energy: -41.008
tors. eta vs tors. theta energy: -88.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -599.823614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.823614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.823614 (E_RNA)
where:
Base-Base interactions energy: -384.037
where: short stacking energy: -171.527
Base-Backbone interact. energy: -1.631
local terms energy: -214.154818
where:
bonds (distance) C4'-P energy: -52.528
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -52.217
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -25.847
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: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -637.847515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.847515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.847515 (E_RNA)
where:
Base-Base interactions energy: -423.514
where: short stacking energy: -190.110
Base-Backbone interact. energy: -0.368
local terms energy: -213.965539
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -49.518
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -29.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -451.998201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.998201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.998201 (E_RNA)
where:
Base-Base interactions energy: -263.555
where: short stacking energy: -124.479
Base-Backbone interact. energy: -1.641
local terms energy: -186.802130
where:
bonds (distance) C4'-P energy: -39.388
bonds (distance) P-C4' energy: -50.264
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1102.005432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.005432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.005432 (E_RNA)
where:
Base-Base interactions energy: -769.516
where: short stacking energy: -332.417
Base-Backbone interact. energy: -0.487
local terms energy: -332.002223
where:
bonds (distance) C4'-P energy: -58.799
bonds (distance) P-C4' energy: -58.731
flat angles C4'-P-C4' energy: -63.317
flat angles P-C4'-P energy: -50.953
tors. eta vs tors. theta energy: -100.203
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: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1070.912829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.912829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.912829 (E_RNA)
where:
Base-Base interactions energy: -738.338
where: short stacking energy: -333.971
Base-Backbone interact. energy: -2.206
local terms energy: -330.368950
where:
bonds (distance) C4'-P energy: -61.274
bonds (distance) P-C4' energy: -59.159
flat angles C4'-P-C4' energy: -71.567
flat angles P-C4'-P energy: -44.918
tors. eta vs tors. theta energy: -93.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1044.641265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.641265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.641265 (E_RNA)
where:
Base-Base interactions energy: -742.078
where: short stacking energy: -306.276
Base-Backbone interact. energy: -1.538
local terms energy: -301.024884
where:
bonds (distance) C4'-P energy: -44.690
bonds (distance) P-C4' energy: -59.985
flat angles C4'-P-C4' energy: -66.535
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -84.704
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: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1013.324766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.324766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.324766 (E_RNA)
where:
Base-Base interactions energy: -697.158
where: short stacking energy: -317.242
Base-Backbone interact. energy: -0.504
local terms energy: -315.662062
where:
bonds (distance) C4'-P energy: -56.376
bonds (distance) P-C4' energy: -47.421
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -53.674
tors. eta vs tors. theta energy: -92.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -968.112720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.112720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.112720 (E_RNA)
where:
Base-Base interactions energy: -679.078
where: short stacking energy: -288.681
Base-Backbone interact. energy: -0.303
local terms energy: -288.730945
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -55.076
flat angles C4'-P-C4' energy: -61.254
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -81.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -961.546768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.546768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.546768 (E_RNA)
where:
Base-Base interactions energy: -684.386
where: short stacking energy: -282.073
Base-Backbone interact. energy: -2.330
local terms energy: -274.830880
where:
bonds (distance) C4'-P energy: -50.396
bonds (distance) P-C4' energy: -51.773
flat angles C4'-P-C4' energy: -54.190
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -81.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -779.860463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.860463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.860463 (E_RNA)
where:
Base-Base interactions energy: -520.675
where: short stacking energy: -238.650
Base-Backbone interact. energy: -2.387
local terms energy: -256.798328
where:
bonds (distance) C4'-P energy: -53.804
bonds (distance) P-C4' energy: -52.688
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -62.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -689.169115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.169115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.169115 (E_RNA)
where:
Base-Base interactions energy: -467.089
where: short stacking energy: -196.990
Base-Backbone interact. energy: -0.205
local terms energy: -221.874886
where:
bonds (distance) C4'-P energy: -50.144
bonds (distance) P-C4' energy: -54.739
flat angles C4'-P-C4' energy: -62.391
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -30.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -567.821657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.821657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.821657 (E_RNA)
where:
Base-Base interactions energy: -364.491
where: short stacking energy: -173.212
Base-Backbone interact. energy: -2.035
local terms energy: -201.295528
where:
bonds (distance) C4'-P energy: -41.641
bonds (distance) P-C4' energy: -50.935
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -32.463
tors. eta vs tors. theta energy: -28.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -444.011003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.011003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.011003 (E_RNA)
where:
Base-Base interactions energy: -251.925
where: short stacking energy: -132.557
Base-Backbone interact. energy: -0.135
local terms energy: -191.951413
where:
bonds (distance) C4'-P energy: -64.743
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -40.995
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1090.562554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.562554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.562554 (E_RNA)
where:
Base-Base interactions energy: -754.798
where: short stacking energy: -326.125
Base-Backbone interact. energy: -0.148
local terms energy: -335.615688
where:
bonds (distance) C4'-P energy: -62.583
bonds (distance) P-C4' energy: -60.467
flat angles C4'-P-C4' energy: -72.792
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -96.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1067.921802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.921802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.921802 (E_RNA)
where:
Base-Base interactions energy: -765.341
where: short stacking energy: -329.021
Base-Backbone interact. energy: -0.448
local terms energy: -302.132417
where:
bonds (distance) C4'-P energy: -59.164
bonds (distance) P-C4' energy: -63.164
flat angles C4'-P-C4' energy: -59.649
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -89.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1043.106402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.106402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.106402 (E_RNA)
where:
Base-Base interactions energy: -737.176
where: short stacking energy: -293.871
Base-Backbone interact. energy: -2.438
local terms energy: -303.493060
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -64.073
flat angles C4'-P-C4' energy: -60.893
flat angles P-C4'-P energy: -47.159
tors. eta vs tors. theta energy: -79.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1002.767100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.767100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.767100 (E_RNA)
where:
Base-Base interactions energy: -681.030
where: short stacking energy: -305.277
Base-Backbone interact. energy: -0.038
local terms energy: -321.699252
where:
bonds (distance) C4'-P energy: -62.081
bonds (distance) P-C4' energy: -60.373
flat angles C4'-P-C4' energy: -69.059
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -88.280
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: 318
Temperature: 1.100000
Total energy: -958.974172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.974172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.974172 (E_RNA)
where:
Base-Base interactions energy: -662.876
where: short stacking energy: -292.574
Base-Backbone interact. energy: -1.367
local terms energy: -294.731677
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -64.713
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -23.403
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: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -929.754350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.754350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.754350 (E_RNA)
where:
Base-Base interactions energy: -659.680
where: short stacking energy: -291.056
Base-Backbone interact. energy: -1.110
local terms energy: -268.964094
where:
bonds (distance) C4'-P energy: -44.333
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -38.789
tors. eta vs tors. theta energy: -77.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -744.658380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.658380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.658380 (E_RNA)
where:
Base-Base interactions energy: -500.413
where: short stacking energy: -229.532
Base-Backbone interact. energy: -0.083
local terms energy: -244.162696
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -54.650
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -44.106
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: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -666.188044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.188044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.188044 (E_RNA)
where:
Base-Base interactions energy: -438.823
where: short stacking energy: -182.521
Base-Backbone interact. energy: 2.545
local terms energy: -229.909653
where:
bonds (distance) C4'-P energy: -50.871
bonds (distance) P-C4' energy: -49.500
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: -45.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -452.712117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.712117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.712117 (E_RNA)
where:
Base-Base interactions energy: -242.976
where: short stacking energy: -124.913
Base-Backbone interact. energy: -1.282
local terms energy: -208.454295
where:
bonds (distance) C4'-P energy: -42.621
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -53.288
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -596.950612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.950612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.950612 (E_RNA)
where:
Base-Base interactions energy: -375.095
where: short stacking energy: -174.993
Base-Backbone interact. energy: -0.420
local terms energy: -221.435653
where:
bonds (distance) C4'-P energy: -45.127
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -30.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1088.616741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.616741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.616741 (E_RNA)
where:
Base-Base interactions energy: -767.313
where: short stacking energy: -334.406
Base-Backbone interact. energy: -1.170
local terms energy: -320.133881
where:
bonds (distance) C4'-P energy: -54.933
bonds (distance) P-C4' energy: -55.819
flat angles C4'-P-C4' energy: -68.074
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -99.307
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: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1079.069064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.069064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.069064 (E_RNA)
where:
Base-Base interactions energy: -762.509
where: short stacking energy: -350.299
Base-Backbone interact. energy: -0.861
local terms energy: -315.699336
where:
bonds (distance) C4'-P energy: -58.739
bonds (distance) P-C4' energy: -58.766
flat angles C4'-P-C4' energy: -63.544
flat angles P-C4'-P energy: -39.460
tors. eta vs tors. theta energy: -95.191
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1055.688207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.688207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.688207 (E_RNA)
where:
Base-Base interactions energy: -748.652
where: short stacking energy: -308.620
Base-Backbone interact. energy: 2.082
local terms energy: -309.117913
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -69.789
flat angles P-C4'-P energy: -49.707
tors. eta vs tors. theta energy: -79.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1000.779676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.779676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.779676 (E_RNA)
where:
Base-Base interactions energy: -694.884
where: short stacking energy: -297.565
Base-Backbone interact. energy: -0.982
local terms energy: -304.913589
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -69.740
flat angles C4'-P-C4' energy: -61.677
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: -80.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -957.495633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.495633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.495633 (E_RNA)
where:
Base-Base interactions energy: -664.025
where: short stacking energy: -282.367
Base-Backbone interact. energy: -0.026
local terms energy: -293.445031
where:
bonds (distance) C4'-P energy: -57.232
bonds (distance) P-C4' energy: -53.011
flat angles C4'-P-C4' energy: -66.710
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: -77.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -972.335987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.335987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.335987 (E_RNA)
where:
Base-Base interactions energy: -683.567
where: short stacking energy: -276.578
Base-Backbone interact. energy: -0.140
local terms energy: -288.628934
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -51.990
flat angles P-C4'-P energy: -34.943
tors. eta vs tors. theta energy: -88.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -748.708720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.708720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.708720 (E_RNA)
where:
Base-Base interactions energy: -485.919
where: short stacking energy: -225.974
Base-Backbone interact. energy: -0.846
local terms energy: -261.943150
where:
bonds (distance) C4'-P energy: -54.804
bonds (distance) P-C4' energy: -53.904
flat angles C4'-P-C4' energy: -56.549
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: -56.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -688.229730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.229730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.229730 (E_RNA)
where:
Base-Base interactions energy: -459.367
where: short stacking energy: -209.625
Base-Backbone interact. energy: -1.476
local terms energy: -227.386431
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -55.662
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -46.900
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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -465.697905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.697905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.697905 (E_RNA)
where:
Base-Base interactions energy: -254.617
where: short stacking energy: -144.490
Base-Backbone interact. energy: -0.249
local terms energy: -210.831906
where:
bonds (distance) C4'-P energy: -46.116
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -44.059
flat angles P-C4'-P energy: -35.088
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: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -624.342659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.342659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.342659 (E_RNA)
where:
Base-Base interactions energy: -405.815
where: short stacking energy: -190.290
Base-Backbone interact. energy: -0.523
local terms energy: -218.004641
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -53.810
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -30.255
tors. eta vs tors. theta energy: -32.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1090.047515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.047515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.047515 (E_RNA)
where:
Base-Base interactions energy: -755.409
where: short stacking energy: -342.298
Base-Backbone interact. energy: -1.289
local terms energy: -333.349704
where:
bonds (distance) C4'-P energy: -61.613
bonds (distance) P-C4' energy: -65.004
flat angles C4'-P-C4' energy: -61.367
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -95.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1082.015703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.015703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.015703 (E_RNA)
where:
Base-Base interactions energy: -774.818
where: short stacking energy: -339.647
Base-Backbone interact. energy: -2.075
local terms energy: -305.122520
where:
bonds (distance) C4'-P energy: -53.599
bonds (distance) P-C4' energy: -55.087
flat angles C4'-P-C4' energy: -54.876
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -99.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1049.931641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.931641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.931641 (E_RNA)
where:
Base-Base interactions energy: -762.048
where: short stacking energy: -289.677
Base-Backbone interact. energy: 1.925
local terms energy: -289.808862
where:
bonds (distance) C4'-P energy: -53.683
bonds (distance) P-C4' energy: -56.341
flat angles C4'-P-C4' energy: -67.357
flat angles P-C4'-P energy: -35.305
tors. eta vs tors. theta energy: -77.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -993.626916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.626916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.626916 (E_RNA)
where:
Base-Base interactions energy: -682.333
where: short stacking energy: -299.897
Base-Backbone interact. energy: -0.202
local terms energy: -311.091625
where:
bonds (distance) C4'-P energy: -53.356
bonds (distance) P-C4' energy: -59.280
flat angles C4'-P-C4' energy: -63.728
flat angles P-C4'-P energy: -46.385
tors. eta vs tors. theta energy: -88.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -990.022120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.022120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.022120 (E_RNA)
where:
Base-Base interactions energy: -700.715
where: short stacking energy: -297.711
Base-Backbone interact. energy: -0.500
local terms energy: -288.807101
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -58.347
flat angles C4'-P-C4' energy: -61.782
flat angles P-C4'-P energy: -30.965
tors. eta vs tors. theta energy: -82.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -923.127831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.127831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.127831 (E_RNA)
where:
Base-Base interactions energy: -647.921
where: short stacking energy: -285.231
Base-Backbone interact. energy: 2.298
local terms energy: -277.504671
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -48.460
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -79.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -751.021399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.021399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.021399 (E_RNA)
where:
Base-Base interactions energy: -487.596
where: short stacking energy: -226.335
Base-Backbone interact. energy: -1.529
local terms energy: -261.896602
where:
bonds (distance) C4'-P energy: -53.175
bonds (distance) P-C4' energy: -52.750
flat angles C4'-P-C4' energy: -65.139
flat angles P-C4'-P energy: -37.808
tors. eta vs tors. theta energy: -53.024
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: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -725.066661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.066661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.066661 (E_RNA)
where:
Base-Base interactions energy: -483.204
where: short stacking energy: -211.414
Base-Backbone interact. energy: 0.001
local terms energy: -241.864020
where:
bonds (distance) C4'-P energy: -57.684
bonds (distance) P-C4' energy: -55.843
flat angles C4'-P-C4' energy: -50.517
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -46.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -598.325523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.325523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.325523 (E_RNA)
where:
Base-Base interactions energy: -398.860
where: short stacking energy: -178.794
Base-Backbone interact. energy: 3.041
local terms energy: -202.506332
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -30.673
tors. eta vs tors. theta energy: -34.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -423.031390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.031390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.031390 (E_RNA)
where:
Base-Base interactions energy: -236.275
where: short stacking energy: -107.717
Base-Backbone interact. energy: 0.083
local terms energy: -186.838844
where:
bonds (distance) C4'-P energy: -55.101
bonds (distance) P-C4' energy: -49.735
flat angles C4'-P-C4' energy: -50.527
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1090.610281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.610281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.610281 (E_RNA)
where:
Base-Base interactions energy: -763.283
where: short stacking energy: -347.319
Base-Backbone interact. energy: -0.628
local terms energy: -326.698860
where:
bonds (distance) C4'-P energy: -59.935
bonds (distance) P-C4' energy: -59.745
flat angles C4'-P-C4' energy: -71.416
flat angles P-C4'-P energy: -43.091
tors. eta vs tors. theta energy: -92.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1092.727031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.727031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.727031 (E_RNA)
where:
Base-Base interactions energy: -763.872
where: short stacking energy: -311.947
Base-Backbone interact. energy: -1.446
local terms energy: -327.408605
where:
bonds (distance) C4'-P energy: -60.313
bonds (distance) P-C4' energy: -65.730
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -91.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1058.323338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.323338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.323338 (E_RNA)
where:
Base-Base interactions energy: -766.189
where: short stacking energy: -305.585
Base-Backbone interact. energy: 1.865
local terms energy: -293.998658
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -71.287
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -73.769
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: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1006.138832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.138832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.138832 (E_RNA)
where:
Base-Base interactions energy: -703.210
where: short stacking energy: -314.027
Base-Backbone interact. energy: -0.710
local terms energy: -302.218518
where:
bonds (distance) C4'-P energy: -60.818
bonds (distance) P-C4' energy: -47.263
flat angles C4'-P-C4' energy: -60.992
flat angles P-C4'-P energy: -44.218
tors. eta vs tors. theta energy: -88.927
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: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -982.722567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.722567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.722567 (E_RNA)
where:
Base-Base interactions energy: -666.224
where: short stacking energy: -276.819
Base-Backbone interact. energy: 0.583
local terms energy: -317.081753
where:
bonds (distance) C4'-P energy: -60.312
bonds (distance) P-C4' energy: -68.612
flat angles C4'-P-C4' energy: -63.595
flat angles P-C4'-P energy: -39.862
tors. eta vs tors. theta energy: -84.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -919.807180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.807180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.807180 (E_RNA)
where:
Base-Base interactions energy: -622.384
where: short stacking energy: -275.109
Base-Backbone interact. energy: -2.607
local terms energy: -294.815691
where:
bonds (distance) C4'-P energy: -58.155
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -70.518
flat angles P-C4'-P energy: -33.749
tors. eta vs tors. theta energy: -71.052
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: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -764.291918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.291918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.291918 (E_RNA)
where:
Base-Base interactions energy: -503.032
where: short stacking energy: -227.837
Base-Backbone interact. energy: -1.367
local terms energy: -259.893279
where:
bonds (distance) C4'-P energy: -55.607
bonds (distance) P-C4' energy: -53.426
flat angles C4'-P-C4' energy: -55.432
flat angles P-C4'-P energy: -36.757
tors. eta vs tors. theta energy: -58.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -781.434389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.434389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.434389 (E_RNA)
where:
Base-Base interactions energy: -544.683
where: short stacking energy: -248.643
Base-Backbone interact. energy: -0.209
local terms energy: -236.542479
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -50.687
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -65.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -573.801119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.801119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.801119 (E_RNA)
where:
Base-Base interactions energy: -366.356
where: short stacking energy: -184.862
Base-Backbone interact. energy: 0.223
local terms energy: -207.667178
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -46.344
flat angles C4'-P-C4' energy: -44.713
flat angles P-C4'-P energy: -31.701
tors. eta vs tors. theta energy: -37.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -410.483668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.483668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.483668 (E_RNA)
where:
Base-Base interactions energy: -227.501
where: short stacking energy: -121.207
Base-Backbone interact. energy: -0.574
local terms energy: -182.408835
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -48.692
flat angles C4'-P-C4' energy: -46.181
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -11.635
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: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1102.435916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.435916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.435916 (E_RNA)
where:
Base-Base interactions energy: -756.298
where: short stacking energy: -340.501
Base-Backbone interact. energy: -1.259
local terms energy: -344.878877
where:
bonds (distance) C4'-P energy: -58.663
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -69.460
flat angles P-C4'-P energy: -54.868
tors. eta vs tors. theta energy: -94.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1061.608822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.608822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.608822 (E_RNA)
where:
Base-Base interactions energy: -750.731
where: short stacking energy: -321.089
Base-Backbone interact. energy: 0.053
local terms energy: -310.931243
where:
bonds (distance) C4'-P energy: -59.449
bonds (distance) P-C4' energy: -60.353
flat angles C4'-P-C4' energy: -59.906
flat angles P-C4'-P energy: -41.348
tors. eta vs tors. theta energy: -89.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1047.372135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.372135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.372135 (E_RNA)
where:
Base-Base interactions energy: -753.163
where: short stacking energy: -303.287
Base-Backbone interact. energy: 0.468
local terms energy: -294.677579
where:
bonds (distance) C4'-P energy: -53.874
bonds (distance) P-C4' energy: -63.184
flat angles C4'-P-C4' energy: -66.671
flat angles P-C4'-P energy: -35.339
tors. eta vs tors. theta energy: -75.611
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: 322
Temperature: 1.050000
Total energy: -1017.628278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.628278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.628278 (E_RNA)
where:
Base-Base interactions energy: -715.670
where: short stacking energy: -308.604
Base-Backbone interact. energy: -1.546
local terms energy: -300.411586
where:
bonds (distance) C4'-P energy: -51.451
bonds (distance) P-C4' energy: -50.857
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: -88.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1002.831661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.831661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.831661 (E_RNA)
where:
Base-Base interactions energy: -685.957
where: short stacking energy: -288.317
Base-Backbone interact. energy: -4.052
local terms energy: -312.822039
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -54.476
flat angles C4'-P-C4' energy: -70.481
flat angles P-C4'-P energy: -45.203
tors. eta vs tors. theta energy: -87.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -910.569434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.569434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.569434 (E_RNA)
where:
Base-Base interactions energy: -628.732
where: short stacking energy: -264.969
Base-Backbone interact. energy: -0.745
local terms energy: -281.092192
where:
bonds (distance) C4'-P energy: -49.028
bonds (distance) P-C4' energy: -59.646
flat angles C4'-P-C4' energy: -57.742
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -76.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -809.056824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.056824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.056824 (E_RNA)
where:
Base-Base interactions energy: -563.939
where: short stacking energy: -238.758
Base-Backbone interact. energy: -3.399
local terms energy: -241.719014
where:
bonds (distance) C4'-P energy: -42.520
bonds (distance) P-C4' energy: -49.306
flat angles C4'-P-C4' energy: -59.473
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -53.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -790.238847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.238847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.238847 (E_RNA)
where:
Base-Base interactions energy: -548.373
where: short stacking energy: -240.970
Base-Backbone interact. energy: 0.357
local terms energy: -242.223513
where:
bonds (distance) C4'-P energy: -47.583
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -52.457
flat angles P-C4'-P energy: -37.829
tors. eta vs tors. theta energy: -53.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -599.118984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.118984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.118984 (E_RNA)
where:
Base-Base interactions energy: -363.577
where: short stacking energy: -176.428
Base-Backbone interact. energy: -0.327
local terms energy: -235.214343
where:
bonds (distance) C4'-P energy: -54.823
bonds (distance) P-C4' energy: -52.425
flat angles C4'-P-C4' energy: -54.569
flat angles P-C4'-P energy: -41.077
tors. eta vs tors. theta energy: -32.320
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: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -393.007434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.007434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.007434 (E_RNA)
where:
Base-Base interactions energy: -224.374
where: short stacking energy: -143.044
Base-Backbone interact. energy: -0.768
local terms energy: -167.865006
where:
bonds (distance) C4'-P energy: -43.319
bonds (distance) P-C4' energy: -55.308
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -16.724
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: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1113.003876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.003876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.003876 (E_RNA)
where:
Base-Base interactions energy: -789.315
where: short stacking energy: -351.924
Base-Backbone interact. energy: 0.815
local terms energy: -324.503250
where:
bonds (distance) C4'-P energy: -60.623
bonds (distance) P-C4' energy: -58.085
flat angles C4'-P-C4' energy: -73.150
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -95.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1081.787809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.787809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.787809 (E_RNA)
where:
Base-Base interactions energy: -745.278
where: short stacking energy: -328.976
Base-Backbone interact. energy: -0.229
local terms energy: -336.280651
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -64.283
flat angles C4'-P-C4' energy: -71.363
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -92.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1057.211442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.211442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.211442 (E_RNA)
where:
Base-Base interactions energy: -743.831
where: short stacking energy: -293.503
Base-Backbone interact. energy: -1.898
local terms energy: -311.483324
where:
bonds (distance) C4'-P energy: -62.521
bonds (distance) P-C4' energy: -60.856
flat angles C4'-P-C4' energy: -60.841
flat angles P-C4'-P energy: -49.479
tors. eta vs tors. theta energy: -77.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1009.814352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.814352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.814352 (E_RNA)
where:
Base-Base interactions energy: -691.939
where: short stacking energy: -298.721
Base-Backbone interact. energy: -0.841
local terms energy: -317.034070
where:
bonds (distance) C4'-P energy: -59.960
bonds (distance) P-C4' energy: -48.674
flat angles C4'-P-C4' energy: -75.001
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -88.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -947.243558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.243558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.243558 (E_RNA)
where:
Base-Base interactions energy: -634.516
where: short stacking energy: -276.685
Base-Backbone interact. energy: -0.149
local terms energy: -312.578372
where:
bonds (distance) C4'-P energy: -59.510
bonds (distance) P-C4' energy: -63.905
flat angles C4'-P-C4' energy: -64.533
flat angles P-C4'-P energy: -46.060
tors. eta vs tors. theta energy: -78.569
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: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -957.815137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.815137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.815137 (E_RNA)
where:
Base-Base interactions energy: -682.566
where: short stacking energy: -277.718
Base-Backbone interact. energy: 0.036
local terms energy: -275.284597
where:
bonds (distance) C4'-P energy: -47.520
bonds (distance) P-C4' energy: -51.373
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -35.146
tors. eta vs tors. theta energy: -79.365
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: 323
Temperature: 1.200000
Total energy: -800.263959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.263959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.263959 (E_RNA)
where:
Base-Base interactions energy: -540.443
where: short stacking energy: -226.081
Base-Backbone interact. energy: -2.776
local terms energy: -257.044173
where:
bonds (distance) C4'-P energy: -51.094
bonds (distance) P-C4' energy: -59.434
flat angles C4'-P-C4' energy: -51.959
flat angles P-C4'-P energy: -40.248
tors. eta vs tors. theta energy: -54.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -817.959088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.959088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.959088 (E_RNA)
where:
Base-Base interactions energy: -561.581
where: short stacking energy: -247.878
Base-Backbone interact. energy: -0.237
local terms energy: -256.141345
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -51.440
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: -57.771
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: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -577.782132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.782132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.782132 (E_RNA)
where:
Base-Base interactions energy: -364.578
where: short stacking energy: -173.168
Base-Backbone interact. energy: 0.091
local terms energy: -213.294662
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -42.147
flat angles C4'-P-C4' energy: -52.235
flat angles P-C4'-P energy: -30.725
tors. eta vs tors. theta energy: -33.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -415.054833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.054833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.054833 (E_RNA)
where:
Base-Base interactions energy: -249.766
where: short stacking energy: -128.919
Base-Backbone interact. energy: -0.054
local terms energy: -165.234936
where:
bonds (distance) C4'-P energy: -51.274
bonds (distance) P-C4' energy: -51.916
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -29.539
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1110.463170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.463170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.463170 (E_RNA)
where:
Base-Base interactions energy: -780.283
where: short stacking energy: -355.324
Base-Backbone interact. energy: -0.515
local terms energy: -329.665676
where:
bonds (distance) C4'-P energy: -56.862
bonds (distance) P-C4' energy: -54.807
flat angles C4'-P-C4' energy: -70.430
flat angles P-C4'-P energy: -47.798
tors. eta vs tors. theta energy: -99.769
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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1089.112549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.112549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.112549 (E_RNA)
where:
Base-Base interactions energy: -770.307
where: short stacking energy: -340.102
Base-Backbone interact. energy: -0.394
local terms energy: -318.411522
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -63.389
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -93.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1038.934264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.934264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.934264 (E_RNA)
where:
Base-Base interactions energy: -733.081
where: short stacking energy: -296.078
Base-Backbone interact. energy: -2.487
local terms energy: -303.366540
where:
bonds (distance) C4'-P energy: -63.756
bonds (distance) P-C4' energy: -60.004
flat angles C4'-P-C4' energy: -61.734
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: -78.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1031.367662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.367662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.367662 (E_RNA)
where:
Base-Base interactions energy: -712.353
where: short stacking energy: -306.188
Base-Backbone interact. energy: -0.710
local terms energy: -318.305519
where:
bonds (distance) C4'-P energy: -53.075
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -92.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -981.682317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.682317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.682317 (E_RNA)
where:
Base-Base interactions energy: -674.344
where: short stacking energy: -313.021
Base-Backbone interact. energy: -0.594
local terms energy: -306.743832
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -44.748
flat angles C4'-P-C4' energy: -68.581
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -96.899
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: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -913.537980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.537980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.537980 (E_RNA)
where:
Base-Base interactions energy: -646.009
where: short stacking energy: -266.648
Base-Backbone interact. energy: 1.049
local terms energy: -268.577969
where:
bonds (distance) C4'-P energy: -57.431
bonds (distance) P-C4' energy: -46.586
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -74.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -752.531767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.531767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.531767 (E_RNA)
where:
Base-Base interactions energy: -506.162
where: short stacking energy: -232.058
Base-Backbone interact. energy: -1.989
local terms energy: -244.380038
where:
bonds (distance) C4'-P energy: -48.530
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -55.384
flat angles P-C4'-P energy: -36.461
tors. eta vs tors. theta energy: -51.434
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: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -759.167098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.167098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.167098 (E_RNA)
where:
Base-Base interactions energy: -518.123
where: short stacking energy: -220.177
Base-Backbone interact. energy: -0.363
local terms energy: -240.680691
where:
bonds (distance) C4'-P energy: -58.591
bonds (distance) P-C4' energy: -49.877
flat angles C4'-P-C4' energy: -50.784
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: -46.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -571.752843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.752843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.752843 (E_RNA)
where:
Base-Base interactions energy: -349.189
where: short stacking energy: -152.545
Base-Backbone interact. energy: -0.624
local terms energy: -221.940024
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -63.470
flat angles C4'-P-C4' energy: -48.139
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -26.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -418.652153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.652153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.652153 (E_RNA)
where:
Base-Base interactions energy: -226.475
where: short stacking energy: -131.228
Base-Backbone interact. energy: 0.570
local terms energy: -192.747585
where:
bonds (distance) C4'-P energy: -55.766
bonds (distance) P-C4' energy: -51.284
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1106.667165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.667165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.667165 (E_RNA)
where:
Base-Base interactions energy: -765.795
where: short stacking energy: -353.191
Base-Backbone interact. energy: -0.695
local terms energy: -340.177713
where:
bonds (distance) C4'-P energy: -67.888
bonds (distance) P-C4' energy: -60.605
flat angles C4'-P-C4' energy: -70.327
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -99.478
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: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1063.288400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.288400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.288400 (E_RNA)
where:
Base-Base interactions energy: -737.397
where: short stacking energy: -307.566
Base-Backbone interact. energy: -0.917
local terms energy: -324.974174
where:
bonds (distance) C4'-P energy: -63.272
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -68.596
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -92.802
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: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1057.353390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.353390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.353390 (E_RNA)
where:
Base-Base interactions energy: -746.339
where: short stacking energy: -294.816
Base-Backbone interact. energy: -1.608
local terms energy: -309.405681
where:
bonds (distance) C4'-P energy: -57.972
bonds (distance) P-C4' energy: -54.397
flat angles C4'-P-C4' energy: -68.361
flat angles P-C4'-P energy: -50.496
tors. eta vs tors. theta energy: -78.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -976.600432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.600432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.600432 (E_RNA)
where:
Base-Base interactions energy: -672.993
where: short stacking energy: -290.829
Base-Backbone interact. energy: -1.477
local terms energy: -302.129861
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -55.165
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -83.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -995.197255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.197255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.197255 (E_RNA)
where:
Base-Base interactions energy: -693.902
where: short stacking energy: -300.478
Base-Backbone interact. energy: 0.693
local terms energy: -301.987678
where:
bonds (distance) C4'-P energy: -59.974
bonds (distance) P-C4' energy: -59.651
flat angles C4'-P-C4' energy: -57.703
flat angles P-C4'-P energy: -36.461
tors. eta vs tors. theta energy: -88.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -871.000034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.000034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.000034 (E_RNA)
where:
Base-Base interactions energy: -589.871
where: short stacking energy: -252.308
Base-Backbone interact. energy: 0.987
local terms energy: -282.115904
where:
bonds (distance) C4'-P energy: -57.090
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -72.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -776.000756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.000756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.000756 (E_RNA)
where:
Base-Base interactions energy: -502.632
where: short stacking energy: -225.884
Base-Backbone interact. energy: 0.638
local terms energy: -274.006698
where:
bonds (distance) C4'-P energy: -53.943
bonds (distance) P-C4' energy: -58.421
flat angles C4'-P-C4' energy: -59.058
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: -61.856
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -730.855427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.855427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.855427 (E_RNA)
where:
Base-Base interactions energy: -488.632
where: short stacking energy: -220.865
Base-Backbone interact. energy: 1.471
local terms energy: -243.694205
where:
bonds (distance) C4'-P energy: -49.234
bonds (distance) P-C4' energy: -60.635
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -47.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -570.291886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.291886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.291886 (E_RNA)
where:
Base-Base interactions energy: -352.704
where: short stacking energy: -169.849
Base-Backbone interact. energy: 0.550
local terms energy: -218.137919
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -56.175
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -31.194
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: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -439.628855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.628855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.628855 (E_RNA)
where:
Base-Base interactions energy: -229.163
where: short stacking energy: -130.379
Base-Backbone interact. energy: -0.805
local terms energy: -209.660867
where:
bonds (distance) C4'-P energy: -57.788
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -28.120
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1098.108993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.108993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.108993 (E_RNA)
where:
Base-Base interactions energy: -754.212
where: short stacking energy: -333.786
Base-Backbone interact. energy: -2.152
local terms energy: -341.745093
where:
bonds (distance) C4'-P energy: -70.427
bonds (distance) P-C4' energy: -65.511
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -94.627
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1086.096083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.096083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.096083 (E_RNA)
where:
Base-Base interactions energy: -750.222
where: short stacking energy: -325.581
Base-Backbone interact. energy: -0.372
local terms energy: -335.501592
where:
bonds (distance) C4'-P energy: -62.074
bonds (distance) P-C4' energy: -66.089
flat angles C4'-P-C4' energy: -66.161
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -96.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1025.734063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.734063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.734063 (E_RNA)
where:
Base-Base interactions energy: -734.103
where: short stacking energy: -298.723
Base-Backbone interact. energy: -2.465
local terms energy: -289.165449
where:
bonds (distance) C4'-P energy: -49.180
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -69.936
flat angles P-C4'-P energy: -39.376
tors. eta vs tors. theta energy: -80.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -995.821852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.821852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.821852 (E_RNA)
where:
Base-Base interactions energy: -674.446
where: short stacking energy: -308.225
Base-Backbone interact. energy: 0.044
local terms energy: -321.419881
where:
bonds (distance) C4'-P energy: -64.160
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -70.562
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: -94.137
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: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -986.436924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.436924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.436924 (E_RNA)
where:
Base-Base interactions energy: -693.568
where: short stacking energy: -302.678
Base-Backbone interact. energy: -2.329
local terms energy: -290.540115
where:
bonds (distance) C4'-P energy: -56.275
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -65.763
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -84.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -883.710804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.710804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.710804 (E_RNA)
where:
Base-Base interactions energy: -609.643
where: short stacking energy: -273.429
Base-Backbone interact. energy: -1.706
local terms energy: -272.362008
where:
bonds (distance) C4'-P energy: -52.390
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -68.193
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: -75.447
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -771.862656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.862656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.862656 (E_RNA)
where:
Base-Base interactions energy: -519.244
where: short stacking energy: -249.739
Base-Backbone interact. energy: -1.659
local terms energy: -250.959743
where:
bonds (distance) C4'-P energy: -54.031
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -52.116
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -64.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -721.426605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.426605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.426605 (E_RNA)
where:
Base-Base interactions energy: -477.461
where: short stacking energy: -207.532
Base-Backbone interact. energy: 0.421
local terms energy: -244.386383
where:
bonds (distance) C4'-P energy: -57.262
bonds (distance) P-C4' energy: -51.611
flat angles C4'-P-C4' energy: -56.563
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -54.577
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: 326
Temperature: 1.300000
Total energy: -585.381135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.381135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.381135 (E_RNA)
where:
Base-Base interactions energy: -360.012
where: short stacking energy: -171.389
Base-Backbone interact. energy: -1.506
local terms energy: -223.863041
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -58.377
flat angles C4'-P-C4' energy: -40.443
flat angles P-C4'-P energy: -34.256
tors. eta vs tors. theta energy: -39.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -397.190149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.190149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.190149 (E_RNA)
where:
Base-Base interactions energy: -226.745
where: short stacking energy: -122.472
Base-Backbone interact. energy: -0.115
local terms energy: -170.329957
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -47.685
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1089.796286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.796286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.796286 (E_RNA)
where:
Base-Base interactions energy: -768.788
where: short stacking energy: -345.904
Base-Backbone interact. energy: -0.351
local terms energy: -320.657485
where:
bonds (distance) C4'-P energy: -57.083
bonds (distance) P-C4' energy: -58.118
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -41.202
tors. eta vs tors. theta energy: -97.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1079.067450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.067450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.067450 (E_RNA)
where:
Base-Base interactions energy: -750.560
where: short stacking energy: -334.258
Base-Backbone interact. energy: -1.779
local terms energy: -326.728715
where:
bonds (distance) C4'-P energy: -54.241
bonds (distance) P-C4' energy: -62.142
flat angles C4'-P-C4' energy: -67.523
flat angles P-C4'-P energy: -45.498
tors. eta vs tors. theta energy: -97.324
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: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1049.316407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.316407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.316407 (E_RNA)
where:
Base-Base interactions energy: -748.161
where: short stacking energy: -301.477
Base-Backbone interact. energy: -1.326
local terms energy: -299.829356
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -64.291
flat angles C4'-P-C4' energy: -72.848
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -74.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -992.067235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.067235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.067235 (E_RNA)
where:
Base-Base interactions energy: -696.099
where: short stacking energy: -301.614
Base-Backbone interact. energy: -1.705
local terms energy: -294.262629
where:
bonds (distance) C4'-P energy: -53.098
bonds (distance) P-C4' energy: -54.836
flat angles C4'-P-C4' energy: -67.398
flat angles P-C4'-P energy: -34.431
tors. eta vs tors. theta energy: -84.500
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: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -974.052735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.052735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.052735 (E_RNA)
where:
Base-Base interactions energy: -669.648
where: short stacking energy: -300.871
Base-Backbone interact. energy: -0.990
local terms energy: -303.415220
where:
bonds (distance) C4'-P energy: -52.704
bonds (distance) P-C4' energy: -61.722
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -90.660
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: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -899.410794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.410794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.410794 (E_RNA)
where:
Base-Base interactions energy: -618.961
where: short stacking energy: -268.968
Base-Backbone interact. energy: -0.535
local terms energy: -279.915297
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -55.322
flat angles C4'-P-C4' energy: -65.059
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: -72.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -753.890049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.890049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.890049 (E_RNA)
where:
Base-Base interactions energy: -522.780
where: short stacking energy: -216.411
Base-Backbone interact. energy: -1.840
local terms energy: -229.270377
where:
bonds (distance) C4'-P energy: -43.775
bonds (distance) P-C4' energy: -51.407
flat angles C4'-P-C4' energy: -51.610
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -44.488
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: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -822.331002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.331002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.331002 (E_RNA)
where:
Base-Base interactions energy: -572.302
where: short stacking energy: -249.452
Base-Backbone interact. energy: -0.680
local terms energy: -249.348870
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -52.542
flat angles C4'-P-C4' energy: -54.880
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: -63.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -599.336777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.336777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.336777 (E_RNA)
where:
Base-Base interactions energy: -370.159
where: short stacking energy: -182.788
Base-Backbone interact. energy: 2.530
local terms energy: -231.707214
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -35.180
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: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -426.135592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.135592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.135592 (E_RNA)
where:
Base-Base interactions energy: -246.143
where: short stacking energy: -135.276
Base-Backbone interact. energy: -0.498
local terms energy: -179.494647
where:
bonds (distance) C4'-P energy: -36.222
bonds (distance) P-C4' energy: -56.290
flat angles C4'-P-C4' energy: -42.245
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1105.892182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.892182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.892182 (E_RNA)
where:
Base-Base interactions energy: -776.033
where: short stacking energy: -344.665
Base-Backbone interact. energy: 0.118
local terms energy: -329.976794
where:
bonds (distance) C4'-P energy: -54.529
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -72.378
flat angles P-C4'-P energy: -48.852
tors. eta vs tors. theta energy: -94.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1074.795407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.795407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.795407 (E_RNA)
where:
Base-Base interactions energy: -743.463
where: short stacking energy: -320.141
Base-Backbone interact. energy: -2.505
local terms energy: -328.827753
where:
bonds (distance) C4'-P energy: -61.208
bonds (distance) P-C4' energy: -59.534
flat angles C4'-P-C4' energy: -68.720
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -95.672
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: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1061.078821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.078821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.078821 (E_RNA)
where:
Base-Base interactions energy: -748.302
where: short stacking energy: -293.351
Base-Backbone interact. energy: -1.095
local terms energy: -311.681713
where:
bonds (distance) C4'-P energy: -55.820
bonds (distance) P-C4' energy: -62.281
flat angles C4'-P-C4' energy: -72.589
flat angles P-C4'-P energy: -47.669
tors. eta vs tors. theta energy: -73.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1004.261500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.261500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.261500 (E_RNA)
where:
Base-Base interactions energy: -693.445
where: short stacking energy: -303.039
Base-Backbone interact. energy: -1.090
local terms energy: -309.726277
where:
bonds (distance) C4'-P energy: -58.561
bonds (distance) P-C4' energy: -54.069
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -47.850
tors. eta vs tors. theta energy: -87.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -960.978158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.978158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.978158 (E_RNA)
where:
Base-Base interactions energy: -648.317
where: short stacking energy: -283.347
Base-Backbone interact. energy: -1.211
local terms energy: -311.449620
where:
bonds (distance) C4'-P energy: -61.967
bonds (distance) P-C4' energy: -59.527
flat angles C4'-P-C4' energy: -61.973
flat angles P-C4'-P energy: -43.640
tors. eta vs tors. theta energy: -84.342
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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -872.254952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.254952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.254952 (E_RNA)
where:
Base-Base interactions energy: -602.292
where: short stacking energy: -267.398
Base-Backbone interact. energy: -0.048
local terms energy: -269.914548
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -61.385
flat angles P-C4'-P energy: -44.678
tors. eta vs tors. theta energy: -69.969
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -824.868477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.868477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.868477 (E_RNA)
where:
Base-Base interactions energy: -577.661
where: short stacking energy: -233.272
Base-Backbone interact. energy: -0.093
local terms energy: -247.114468
where:
bonds (distance) C4'-P energy: -47.668
bonds (distance) P-C4' energy: -54.403
flat angles C4'-P-C4' energy: -53.183
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -52.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -740.480016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.480016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.480016 (E_RNA)
where:
Base-Base interactions energy: -493.414
where: short stacking energy: -212.056
Base-Backbone interact. energy: -0.551
local terms energy: -246.514150
where:
bonds (distance) C4'-P energy: -49.805
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -30.250
tors. eta vs tors. theta energy: -59.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -603.577695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.577695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.577695 (E_RNA)
where:
Base-Base interactions energy: -393.457
where: short stacking energy: -189.982
Base-Backbone interact. energy: 0.504
local terms energy: -210.624476
where:
bonds (distance) C4'-P energy: -51.066
bonds (distance) P-C4' energy: -43.380
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: -33.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -424.171750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.171750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.171750 (E_RNA)
where:
Base-Base interactions energy: -243.253
where: short stacking energy: -134.236
Base-Backbone interact. energy: -1.269
local terms energy: -179.649818
where:
bonds (distance) C4'-P energy: -38.098
bonds (distance) P-C4' energy: -62.857
flat angles C4'-P-C4' energy: -41.869
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1096.806112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.806112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.806112 (E_RNA)
where:
Base-Base interactions energy: -761.902
where: short stacking energy: -335.889
Base-Backbone interact. energy: -0.250
local terms energy: -334.653376
where:
bonds (distance) C4'-P energy: -64.746
bonds (distance) P-C4' energy: -59.948
flat angles C4'-P-C4' energy: -72.009
flat angles P-C4'-P energy: -47.044
tors. eta vs tors. theta energy: -90.905
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: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1078.869254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.869254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.869254 (E_RNA)
where:
Base-Base interactions energy: -737.247
where: short stacking energy: -314.941
Base-Backbone interact. energy: -2.523
local terms energy: -339.099158
where:
bonds (distance) C4'-P energy: -62.355
bonds (distance) P-C4' energy: -58.868
flat angles C4'-P-C4' energy: -70.595
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -97.489
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: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1058.929871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.929871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.929871 (E_RNA)
where:
Base-Base interactions energy: -744.648
where: short stacking energy: -312.956
Base-Backbone interact. energy: -0.689
local terms energy: -313.592905
where:
bonds (distance) C4'-P energy: -60.789
bonds (distance) P-C4' energy: -53.439
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -45.193
tors. eta vs tors. theta energy: -82.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -987.985905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.985905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.985905 (E_RNA)
where:
Base-Base interactions energy: -678.090
where: short stacking energy: -304.314
Base-Backbone interact. energy: -1.025
local terms energy: -308.870991
where:
bonds (distance) C4'-P energy: -58.333
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -56.798
flat angles P-C4'-P energy: -41.914
tors. eta vs tors. theta energy: -90.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -979.534899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.534899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.534899 (E_RNA)
where:
Base-Base interactions energy: -675.056
where: short stacking energy: -287.004
Base-Backbone interact. energy: -3.496
local terms energy: -300.982782
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -64.118
flat angles C4'-P-C4' energy: -66.469
flat angles P-C4'-P energy: -36.790
tors. eta vs tors. theta energy: -85.465
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: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -885.946369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.946369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.946369 (E_RNA)
where:
Base-Base interactions energy: -614.409
where: short stacking energy: -277.723
Base-Backbone interact. energy: -0.433
local terms energy: -271.104174
where:
bonds (distance) C4'-P energy: -47.480
bonds (distance) P-C4' energy: -53.742
flat angles C4'-P-C4' energy: -55.323
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -75.075
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: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -820.017465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.017465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.017465 (E_RNA)
where:
Base-Base interactions energy: -553.535
where: short stacking energy: -228.018
Base-Backbone interact. energy: -2.615
local terms energy: -263.867119
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -53.345
flat angles C4'-P-C4' energy: -62.460
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -726.858460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.858460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.858460 (E_RNA)
where:
Base-Base interactions energy: -478.874
where: short stacking energy: -219.314
Base-Backbone interact. energy: -0.609
local terms energy: -247.375834
where:
bonds (distance) C4'-P energy: -45.589
bonds (distance) P-C4' energy: -62.928
flat angles C4'-P-C4' energy: -51.521
flat angles P-C4'-P energy: -36.889
tors. eta vs tors. theta energy: -50.449
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: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -579.883406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.883406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.883406 (E_RNA)
where:
Base-Base interactions energy: -359.746
where: short stacking energy: -163.124
Base-Backbone interact. energy: -0.584
local terms energy: -219.553778
where:
bonds (distance) C4'-P energy: -56.224
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -52.917
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -32.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -396.525376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.525376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.525376 (E_RNA)
where:
Base-Base interactions energy: -219.409
where: short stacking energy: -125.432
Base-Backbone interact. energy: -0.096
local terms energy: -177.019854
where:
bonds (distance) C4'-P energy: -48.848
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -48.001
flat angles P-C4'-P energy: -33.556
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1113.101508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.101508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.101508 (E_RNA)
where:
Base-Base interactions energy: -780.127
where: short stacking energy: -355.733
Base-Backbone interact. energy: -1.934
local terms energy: -331.040844
where:
bonds (distance) C4'-P energy: -59.886
bonds (distance) P-C4' energy: -58.051
flat angles C4'-P-C4' energy: -65.882
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -104.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1082.286132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.286132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.286132 (E_RNA)
where:
Base-Base interactions energy: -741.121
where: short stacking energy: -327.119
Base-Backbone interact. energy: -0.003
local terms energy: -341.162379
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -73.618
flat angles P-C4'-P energy: -37.904
tors. eta vs tors. theta energy: -102.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1013.491726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.491726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.491726 (E_RNA)
where:
Base-Base interactions energy: -689.028
where: short stacking energy: -294.629
Base-Backbone interact. energy: -1.429
local terms energy: -323.033788
where:
bonds (distance) C4'-P energy: -55.132
bonds (distance) P-C4' energy: -59.249
flat angles C4'-P-C4' energy: -68.716
flat angles P-C4'-P energy: -48.678
tors. eta vs tors. theta energy: -91.258
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: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1028.038280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.038280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.038280 (E_RNA)
where:
Base-Base interactions energy: -744.429
where: short stacking energy: -280.706
Base-Backbone interact. energy: -0.586
local terms energy: -283.023494
where:
bonds (distance) C4'-P energy: -56.495
bonds (distance) P-C4' energy: -55.766
flat angles C4'-P-C4' energy: -58.904
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -64.250
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: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -963.099587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.099587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.099587 (E_RNA)
where:
Base-Base interactions energy: -681.180
where: short stacking energy: -299.329
Base-Backbone interact. energy: -0.003
local terms energy: -281.916671
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -44.333
flat angles C4'-P-C4' energy: -69.828
flat angles P-C4'-P energy: -39.064
tors. eta vs tors. theta energy: -76.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -887.786928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.786928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.786928 (E_RNA)
where:
Base-Base interactions energy: -616.350
where: short stacking energy: -264.676
Base-Backbone interact. energy: -1.349
local terms energy: -270.087507
where:
bonds (distance) C4'-P energy: -53.973
bonds (distance) P-C4' energy: -50.178
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -72.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -814.106207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.106207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.106207 (E_RNA)
where:
Base-Base interactions energy: -544.987
where: short stacking energy: -234.637
Base-Backbone interact. energy: -1.225
local terms energy: -267.894344
where:
bonds (distance) C4'-P energy: -53.683
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -58.670
flat angles P-C4'-P energy: -33.370
tors. eta vs tors. theta energy: -58.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -720.131350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.131350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.131350 (E_RNA)
where:
Base-Base interactions energy: -472.186
where: short stacking energy: -221.503
Base-Backbone interact. energy: -0.713
local terms energy: -247.232142
where:
bonds (distance) C4'-P energy: -47.940
bonds (distance) P-C4' energy: -45.379
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -64.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -579.185805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.185805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.185805 (E_RNA)
where:
Base-Base interactions energy: -355.317
where: short stacking energy: -153.002
Base-Backbone interact. energy: -2.580
local terms energy: -221.289305
where:
bonds (distance) C4'-P energy: -54.594
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -46.694
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -413.940055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.940055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.940055 (E_RNA)
where:
Base-Base interactions energy: -224.870
where: short stacking energy: -123.029
Base-Backbone interact. energy: -0.163
local terms energy: -188.906586
where:
bonds (distance) C4'-P energy: -44.095
bonds (distance) P-C4' energy: -50.154
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1115.000006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.000006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.000006 (E_RNA)
where:
Base-Base interactions energy: -780.557
where: short stacking energy: -344.381
Base-Backbone interact. energy: -0.472
local terms energy: -333.971223
where:
bonds (distance) C4'-P energy: -61.878
bonds (distance) P-C4' energy: -64.092
flat angles C4'-P-C4' energy: -69.008
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -102.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1093.277177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.277177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.277177 (E_RNA)
where:
Base-Base interactions energy: -751.433
where: short stacking energy: -336.261
Base-Backbone interact. energy: 0.343
local terms energy: -342.187360
where:
bonds (distance) C4'-P energy: -62.107
bonds (distance) P-C4' energy: -60.381
flat angles C4'-P-C4' energy: -73.602
flat angles P-C4'-P energy: -50.237
tors. eta vs tors. theta energy: -95.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1008.843064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.843064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.843064 (E_RNA)
where:
Base-Base interactions energy: -674.730
where: short stacking energy: -308.178
Base-Backbone interact. energy: -0.534
local terms energy: -333.578738
where:
bonds (distance) C4'-P energy: -59.866
bonds (distance) P-C4' energy: -66.859
flat angles C4'-P-C4' energy: -72.498
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -87.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -995.583100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.583100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.583100 (E_RNA)
where:
Base-Base interactions energy: -689.093
where: short stacking energy: -280.981
Base-Backbone interact. energy: -0.581
local terms energy: -305.908872
where:
bonds (distance) C4'-P energy: -56.959
bonds (distance) P-C4' energy: -60.126
flat angles C4'-P-C4' energy: -67.098
flat angles P-C4'-P energy: -49.197
tors. eta vs tors. theta energy: -72.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -963.721526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.721526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.721526 (E_RNA)
where:
Base-Base interactions energy: -680.382
where: short stacking energy: -298.383
Base-Backbone interact. energy: -0.732
local terms energy: -282.607274
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -40.001
flat angles C4'-P-C4' energy: -69.071
flat angles P-C4'-P energy: -40.307
tors. eta vs tors. theta energy: -77.822
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: 331
Temperature: 1.150000
Total energy: -873.384546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.384546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.384546 (E_RNA)
where:
Base-Base interactions energy: -613.471
where: short stacking energy: -269.625
Base-Backbone interact. energy: 0.151
local terms energy: -260.065397
where:
bonds (distance) C4'-P energy: -48.195
bonds (distance) P-C4' energy: -45.162
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -31.594
tors. eta vs tors. theta energy: -76.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -844.924970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.924970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.924970 (E_RNA)
where:
Base-Base interactions energy: -587.229
where: short stacking energy: -261.274
Base-Backbone interact. energy: -1.446
local terms energy: -256.249773
where:
bonds (distance) C4'-P energy: -52.505
bonds (distance) P-C4' energy: -41.285
flat angles C4'-P-C4' energy: -51.445
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -71.073
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: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -728.270249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.270249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.270249 (E_RNA)
where:
Base-Base interactions energy: -489.550
where: short stacking energy: -200.881
Base-Backbone interact. energy: -1.849
local terms energy: -236.871435
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -61.177
flat angles C4'-P-C4' energy: -50.666
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -42.051
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: 331
Temperature: 1.300000
Total energy: -565.723399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.723399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.723399 (E_RNA)
where:
Base-Base interactions energy: -361.886
where: short stacking energy: -170.697
Base-Backbone interact. energy: 1.556
local terms energy: -205.392772
where:
bonds (distance) C4'-P energy: -52.778
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -42.245
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -30.768
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: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -421.659099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.659099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.659099 (E_RNA)
where:
Base-Base interactions energy: -222.144
where: short stacking energy: -110.361
Base-Backbone interact. energy: -0.813
local terms energy: -198.702282
where:
bonds (distance) C4'-P energy: -58.224
bonds (distance) P-C4' energy: -54.962
flat angles C4'-P-C4' energy: -47.053
flat angles P-C4'-P energy: -32.080
tors. eta vs tors. theta energy: -6.383
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: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1091.102247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.102247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.102247 (E_RNA)
where:
Base-Base interactions energy: -769.948
where: short stacking energy: -325.982
Base-Backbone interact. energy: -0.404
local terms energy: -320.749981
where:
bonds (distance) C4'-P energy: -52.501
bonds (distance) P-C4' energy: -58.076
flat angles C4'-P-C4' energy: -72.763
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -96.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1068.681183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.681183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.681183 (E_RNA)
where:
Base-Base interactions energy: -750.653
where: short stacking energy: -335.235
Base-Backbone interact. energy: 0.002
local terms energy: -318.030342
where:
bonds (distance) C4'-P energy: -51.798
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -65.240
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -95.925
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: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1038.767069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.767069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.767069 (E_RNA)
where:
Base-Base interactions energy: -748.918
where: short stacking energy: -303.557
Base-Backbone interact. energy: -0.794
local terms energy: -289.055134
where:
bonds (distance) C4'-P energy: -54.573
bonds (distance) P-C4' energy: -49.790
flat angles C4'-P-C4' energy: -62.756
flat angles P-C4'-P energy: -47.539
tors. eta vs tors. theta energy: -74.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -985.535281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.535281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.535281 (E_RNA)
where:
Base-Base interactions energy: -681.840
where: short stacking energy: -301.080
Base-Backbone interact. energy: -0.210
local terms energy: -303.484938
where:
bonds (distance) C4'-P energy: -56.242
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -70.178
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -84.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -979.286429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.286429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.286429 (E_RNA)
where:
Base-Base interactions energy: -684.584
where: short stacking energy: -284.930
Base-Backbone interact. energy: -2.201
local terms energy: -292.501575
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -61.647
flat angles P-C4'-P energy: -45.188
tors. eta vs tors. theta energy: -82.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -893.701025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.701025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.701025 (E_RNA)
where:
Base-Base interactions energy: -593.989
where: short stacking energy: -265.737
Base-Backbone interact. energy: -1.038
local terms energy: -298.674141
where:
bonds (distance) C4'-P energy: -47.556
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -80.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -821.522049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.522049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.522049 (E_RNA)
where:
Base-Base interactions energy: -567.956
where: short stacking energy: -241.997
Base-Backbone interact. energy: -0.734
local terms energy: -252.832180
where:
bonds (distance) C4'-P energy: -49.264
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -59.082
flat angles P-C4'-P energy: -33.607
tors. eta vs tors. theta energy: -61.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -712.650313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.650313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.650313 (E_RNA)
where:
Base-Base interactions energy: -504.904
where: short stacking energy: -216.410
Base-Backbone interact. energy: -2.142
local terms energy: -205.604319
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -49.843
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -54.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -590.799506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.799506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.799506 (E_RNA)
where:
Base-Base interactions energy: -365.486
where: short stacking energy: -171.938
Base-Backbone interact. energy: -0.399
local terms energy: -224.913763
where:
bonds (distance) C4'-P energy: -60.805
bonds (distance) P-C4' energy: -53.246
flat angles C4'-P-C4' energy: -50.800
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -36.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -411.189691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.189691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.189691 (E_RNA)
where:
Base-Base interactions energy: -224.824
where: short stacking energy: -122.828
Base-Backbone interact. energy: 3.361
local terms energy: -189.727102
where:
bonds (distance) C4'-P energy: -51.391
bonds (distance) P-C4' energy: -55.858
flat angles C4'-P-C4' energy: -52.837
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -4.935
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: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1113.305398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.305398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.305398 (E_RNA)
where:
Base-Base interactions energy: -756.130
where: short stacking energy: -330.740
Base-Backbone interact. energy: 0.033
local terms energy: -357.207911
where:
bonds (distance) C4'-P energy: -65.268
bonds (distance) P-C4' energy: -64.234
flat angles C4'-P-C4' energy: -74.045
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -101.116
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: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1071.170741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.170741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.170741 (E_RNA)
where:
Base-Base interactions energy: -769.167
where: short stacking energy: -311.868
Base-Backbone interact. energy: -0.050
local terms energy: -301.954112
where:
bonds (distance) C4'-P energy: -52.688
bonds (distance) P-C4' energy: -51.654
flat angles C4'-P-C4' energy: -66.514
flat angles P-C4'-P energy: -48.338
tors. eta vs tors. theta energy: -82.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1053.708710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.708710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.708710 (E_RNA)
where:
Base-Base interactions energy: -743.817
where: short stacking energy: -319.969
Base-Backbone interact. energy: -0.706
local terms energy: -309.185522
where:
bonds (distance) C4'-P energy: -57.070
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -68.321
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -88.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1007.467207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.467207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.467207 (E_RNA)
where:
Base-Base interactions energy: -710.354
where: short stacking energy: -302.336
Base-Backbone interact. energy: -1.986
local terms energy: -295.126727
where:
bonds (distance) C4'-P energy: -46.631
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -68.176
flat angles P-C4'-P energy: -37.490
tors. eta vs tors. theta energy: -85.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -957.669621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.669621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.669621 (E_RNA)
where:
Base-Base interactions energy: -681.138
where: short stacking energy: -298.551
Base-Backbone interact. energy: -1.261
local terms energy: -275.270239
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -60.964
flat angles P-C4'-P energy: -43.026
tors. eta vs tors. theta energy: -88.723
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: 333
Temperature: 1.150000
Total energy: -898.838629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.838629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.838629 (E_RNA)
where:
Base-Base interactions energy: -621.229
where: short stacking energy: -283.653
Base-Backbone interact. energy: -1.639
local terms energy: -275.970324
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -56.331
flat angles C4'-P-C4' energy: -55.054
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -74.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -829.785823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.785823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.785823 (E_RNA)
where:
Base-Base interactions energy: -578.311
where: short stacking energy: -248.341
Base-Backbone interact. energy: -0.991
local terms energy: -250.483779
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -56.434
flat angles C4'-P-C4' energy: -49.426
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -66.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -729.018897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.018897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.018897 (E_RNA)
where:
Base-Base interactions energy: -478.074
where: short stacking energy: -212.752
Base-Backbone interact. energy: 1.336
local terms energy: -252.280493
where:
bonds (distance) C4'-P energy: -64.022
bonds (distance) P-C4' energy: -43.596
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -41.116
tors. eta vs tors. theta energy: -51.551
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -576.801511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.801511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.801511 (E_RNA)
where:
Base-Base interactions energy: -372.132
where: short stacking energy: -187.631
Base-Backbone interact. energy: -0.686
local terms energy: -203.983816
where:
bonds (distance) C4'-P energy: -48.877
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -30.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -419.879218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.879218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.879218 (E_RNA)
where:
Base-Base interactions energy: -235.920
where: short stacking energy: -130.095
Base-Backbone interact. energy: -0.461
local terms energy: -183.498682
where:
bonds (distance) C4'-P energy: -54.399
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -28.426
tors. eta vs tors. theta energy: -17.138
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: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1096.140501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.140501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.140501 (E_RNA)
where:
Base-Base interactions energy: -758.903
where: short stacking energy: -332.683
Base-Backbone interact. energy: -1.869
local terms energy: -335.369296
where:
bonds (distance) C4'-P energy: -66.452
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -66.528
flat angles P-C4'-P energy: -46.694
tors. eta vs tors. theta energy: -99.046
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: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1058.800973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.800973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.800973 (E_RNA)
where:
Base-Base interactions energy: -753.428
where: short stacking energy: -291.203
Base-Backbone interact. energy: -0.021
local terms energy: -305.352383
where:
bonds (distance) C4'-P energy: -54.089
bonds (distance) P-C4' energy: -65.608
flat angles C4'-P-C4' energy: -69.084
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -73.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1073.657241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.657241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.657241 (E_RNA)
where:
Base-Base interactions energy: -742.281
where: short stacking energy: -336.449
Base-Backbone interact. energy: 0.882
local terms energy: -332.257961
where:
bonds (distance) C4'-P energy: -57.071
bonds (distance) P-C4' energy: -57.618
flat angles C4'-P-C4' energy: -67.857
flat angles P-C4'-P energy: -51.714
tors. eta vs tors. theta energy: -97.998
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: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1003.001600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.001600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.001600 (E_RNA)
where:
Base-Base interactions energy: -704.002
where: short stacking energy: -298.760
Base-Backbone interact. energy: -3.014
local terms energy: -295.985610
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -68.647
flat angles P-C4'-P energy: -37.230
tors. eta vs tors. theta energy: -83.198
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: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -967.324122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.324122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.324122 (E_RNA)
where:
Base-Base interactions energy: -674.148
where: short stacking energy: -287.513
Base-Backbone interact. energy: -0.483
local terms energy: -292.693319
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -72.147
flat angles P-C4'-P energy: -47.083
tors. eta vs tors. theta energy: -78.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -917.811972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.811972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.811972 (E_RNA)
where:
Base-Base interactions energy: -630.235
where: short stacking energy: -281.035
Base-Backbone interact. energy: -0.648
local terms energy: -286.929442
where:
bonds (distance) C4'-P energy: -54.349
bonds (distance) P-C4' energy: -50.251
flat angles C4'-P-C4' energy: -67.141
flat angles P-C4'-P energy: -39.708
tors. eta vs tors. theta energy: -75.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -792.586438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.586438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.586438 (E_RNA)
where:
Base-Base interactions energy: -525.363
where: short stacking energy: -226.745
Base-Backbone interact. energy: -1.190
local terms energy: -266.033644
where:
bonds (distance) C4'-P energy: -60.973
bonds (distance) P-C4' energy: -58.504
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -58.765
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: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -716.994110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.994110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.994110 (E_RNA)
where:
Base-Base interactions energy: -480.111
where: short stacking energy: -209.490
Base-Backbone interact. energy: -1.134
local terms energy: -235.748701
where:
bonds (distance) C4'-P energy: -53.485
bonds (distance) P-C4' energy: -45.996
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -36.323
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -566.766938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.766938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.766938 (E_RNA)
where:
Base-Base interactions energy: -354.235
where: short stacking energy: -178.506
Base-Backbone interact. energy: -0.752
local terms energy: -211.779591
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -49.987
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -32.534
tors. eta vs tors. theta energy: -28.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -433.322879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.322879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.322879 (E_RNA)
where:
Base-Base interactions energy: -261.997
where: short stacking energy: -128.095
Base-Backbone interact. energy: 1.306
local terms energy: -172.632672
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -54.955
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -8.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1089.993830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.993830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.993830 (E_RNA)
where:
Base-Base interactions energy: -776.168
where: short stacking energy: -333.042
Base-Backbone interact. energy: -1.227
local terms energy: -312.599268
where:
bonds (distance) C4'-P energy: -54.107
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -66.349
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -94.043
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1056.524826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.524826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.524826 (E_RNA)
where:
Base-Base interactions energy: -754.472
where: short stacking energy: -303.362
Base-Backbone interact. energy: -1.976
local terms energy: -300.076509
where:
bonds (distance) C4'-P energy: -53.699
bonds (distance) P-C4' energy: -57.007
flat angles C4'-P-C4' energy: -63.368
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -79.757
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: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1051.470695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.470695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.470695 (E_RNA)
where:
Base-Base interactions energy: -727.012
where: short stacking energy: -315.189
Base-Backbone interact. energy: -0.801
local terms energy: -323.658030
where:
bonds (distance) C4'-P energy: -61.286
bonds (distance) P-C4' energy: -49.605
flat angles C4'-P-C4' energy: -73.729
flat angles P-C4'-P energy: -44.058
tors. eta vs tors. theta energy: -94.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1024.148455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.148455 (E_RNA)
where:
Base-Base interactions energy: -707.173
where: short stacking energy: -302.909
Base-Backbone interact. energy: -2.498
local terms energy: -314.477545
where:
bonds (distance) C4'-P energy: -63.280
bonds (distance) P-C4' energy: -49.230
flat angles C4'-P-C4' energy: -64.505
flat angles P-C4'-P energy: -47.753
tors. eta vs tors. theta energy: -89.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -963.275061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.275061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.275061 (E_RNA)
where:
Base-Base interactions energy: -652.678
where: short stacking energy: -299.163
Base-Backbone interact. energy: -1.941
local terms energy: -308.655919
where:
bonds (distance) C4'-P energy: -56.915
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -64.905
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -86.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -821.462097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.462097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.462097 (E_RNA)
where:
Base-Base interactions energy: -559.120
where: short stacking energy: -253.124
Base-Backbone interact. energy: -0.461
local terms energy: -261.881262
where:
bonds (distance) C4'-P energy: -41.289
bonds (distance) P-C4' energy: -57.302
flat angles C4'-P-C4' energy: -56.087
flat angles P-C4'-P energy: -42.852
tors. eta vs tors. theta energy: -64.351
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: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -866.989424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.989424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.989424 (E_RNA)
where:
Base-Base interactions energy: -610.753
where: short stacking energy: -261.225
Base-Backbone interact. energy: -1.311
local terms energy: -254.924931
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -47.621
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -71.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -736.627631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.627631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.627631 (E_RNA)
where:
Base-Base interactions energy: -487.892
where: short stacking energy: -221.061
Base-Backbone interact. energy: -0.539
local terms energy: -248.196857
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -54.135
flat angles P-C4'-P energy: -37.417
tors. eta vs tors. theta energy: -52.710
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: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -580.956121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.956121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.956121 (E_RNA)
where:
Base-Base interactions energy: -358.039
where: short stacking energy: -161.806
Base-Backbone interact. energy: -2.455
local terms energy: -220.462080
where:
bonds (distance) C4'-P energy: -53.562
bonds (distance) P-C4' energy: -45.371
flat angles C4'-P-C4' energy: -46.451
flat angles P-C4'-P energy: -36.068
tors. eta vs tors. theta energy: -39.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -474.798413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.798413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.798413 (E_RNA)
where:
Base-Base interactions energy: -269.796
where: short stacking energy: -134.405
Base-Backbone interact. energy: 0.748
local terms energy: -205.750878
where:
bonds (distance) C4'-P energy: -51.285
bonds (distance) P-C4' energy: -46.148
flat angles C4'-P-C4' energy: -46.975
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -26.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1102.772667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.772667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.772667 (E_RNA)
where:
Base-Base interactions energy: -771.988
where: short stacking energy: -336.218
Base-Backbone interact. energy: -1.335
local terms energy: -329.448953
where:
bonds (distance) C4'-P energy: -66.033
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -94.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1086.610210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.610210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.610210 (E_RNA)
where:
Base-Base interactions energy: -783.064
where: short stacking energy: -312.406
Base-Backbone interact. energy: 0.047
local terms energy: -303.592686
where:
bonds (distance) C4'-P energy: -62.431
bonds (distance) P-C4' energy: -40.662
flat angles C4'-P-C4' energy: -69.394
flat angles P-C4'-P energy: -52.096
tors. eta vs tors. theta energy: -79.010
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1041.485561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.485561 (E_RNA)
where:
Base-Base interactions energy: -722.656
where: short stacking energy: -320.431
Base-Backbone interact. energy: 2.451
local terms energy: -321.280845
where:
bonds (distance) C4'-P energy: -54.867
bonds (distance) P-C4' energy: -63.171
flat angles C4'-P-C4' energy: -67.081
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -96.669
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: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1017.020031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.020031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.020031 (E_RNA)
where:
Base-Base interactions energy: -716.650
where: short stacking energy: -305.256
Base-Backbone interact. energy: 0.702
local terms energy: -301.072166
where:
bonds (distance) C4'-P energy: -54.074
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -66.558
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -81.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -970.293680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.293680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.293680 (E_RNA)
where:
Base-Base interactions energy: -665.776
where: short stacking energy: -295.473
Base-Backbone interact. energy: -0.187
local terms energy: -304.329757
where:
bonds (distance) C4'-P energy: -59.282
bonds (distance) P-C4' energy: -52.960
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: -89.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -871.849782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.849782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.849782 (E_RNA)
where:
Base-Base interactions energy: -604.959
where: short stacking energy: -266.129
Base-Backbone interact. energy: -2.644
local terms energy: -264.246743
where:
bonds (distance) C4'-P energy: -53.875
bonds (distance) P-C4' energy: -63.004
flat angles C4'-P-C4' energy: -57.980
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -66.789
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: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -746.559716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.559716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.559716 (E_RNA)
where:
Base-Base interactions energy: -485.056
where: short stacking energy: -217.352
Base-Backbone interact. energy: 0.479
local terms energy: -261.982531
where:
bonds (distance) C4'-P energy: -57.939
bonds (distance) P-C4' energy: -58.903
flat angles C4'-P-C4' energy: -56.208
flat angles P-C4'-P energy: -46.242
tors. eta vs tors. theta energy: -42.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -813.203052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.203052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.203052 (E_RNA)
where:
Base-Base interactions energy: -550.108
where: short stacking energy: -242.522
Base-Backbone interact. energy: -0.891
local terms energy: -262.203903
where:
bonds (distance) C4'-P energy: -35.925
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -63.434
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -70.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -609.936875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.936875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.936875 (E_RNA)
where:
Base-Base interactions energy: -382.102
where: short stacking energy: -190.678
Base-Backbone interact. energy: 2.098
local terms energy: -229.933737
where:
bonds (distance) C4'-P energy: -54.719
bonds (distance) P-C4' energy: -49.533
flat angles C4'-P-C4' energy: -58.271
flat angles P-C4'-P energy: -29.456
tors. eta vs tors. theta energy: -37.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -458.175999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.175999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.175999 (E_RNA)
where:
Base-Base interactions energy: -251.293
where: short stacking energy: -138.721
Base-Backbone interact. energy: -0.803
local terms energy: -206.079247
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -44.810
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -22.509
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: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1084.056220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.056220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.056220 (E_RNA)
where:
Base-Base interactions energy: -756.570
where: short stacking energy: -331.804
Base-Backbone interact. energy: -0.321
local terms energy: -327.164934
where:
bonds (distance) C4'-P energy: -68.038
bonds (distance) P-C4' energy: -59.199
flat angles C4'-P-C4' energy: -70.201
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -88.538
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: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1056.233089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.233089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.233089 (E_RNA)
where:
Base-Base interactions energy: -754.777
where: short stacking energy: -296.494
Base-Backbone interact. energy: -1.282
local terms energy: -300.173581
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -65.729
flat angles C4'-P-C4' energy: -60.143
flat angles P-C4'-P energy: -37.771
tors. eta vs tors. theta energy: -77.984
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: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1048.221257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.221257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.221257 (E_RNA)
where:
Base-Base interactions energy: -728.337
where: short stacking energy: -326.382
Base-Backbone interact. energy: 0.937
local terms energy: -320.821738
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -66.452
flat angles C4'-P-C4' energy: -67.838
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: -96.685
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: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1009.752754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.752754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.752754 (E_RNA)
where:
Base-Base interactions energy: -709.050
where: short stacking energy: -292.868
Base-Backbone interact. energy: -0.429
local terms energy: -300.273717
where:
bonds (distance) C4'-P energy: -46.462
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -66.176
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -92.832
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: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -964.184567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.184567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.184567 (E_RNA)
where:
Base-Base interactions energy: -662.764
where: short stacking energy: -294.535
Base-Backbone interact. energy: -1.232
local terms energy: -300.188112
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -53.070
flat angles C4'-P-C4' energy: -67.363
flat angles P-C4'-P energy: -41.176
tors. eta vs tors. theta energy: -85.069
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: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -852.035749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.035749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.035749 (E_RNA)
where:
Base-Base interactions energy: -578.193
where: short stacking energy: -256.021
Base-Backbone interact. energy: -0.626
local terms energy: -273.216586
where:
bonds (distance) C4'-P energy: -52.289
bonds (distance) P-C4' energy: -50.364
flat angles C4'-P-C4' energy: -57.365
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -74.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -831.734998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.734998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.734998 (E_RNA)
where:
Base-Base interactions energy: -569.094
where: short stacking energy: -241.358
Base-Backbone interact. energy: -1.078
local terms energy: -261.563526
where:
bonds (distance) C4'-P energy: -43.753
bonds (distance) P-C4' energy: -57.009
flat angles C4'-P-C4' energy: -60.638
flat angles P-C4'-P energy: -34.736
tors. eta vs tors. theta energy: -65.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -784.885052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.885052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.885052 (E_RNA)
where:
Base-Base interactions energy: -537.665
where: short stacking energy: -221.824
Base-Backbone interact. energy: -0.580
local terms energy: -246.639984
where:
bonds (distance) C4'-P energy: -56.698
bonds (distance) P-C4' energy: -38.700
flat angles C4'-P-C4' energy: -59.145
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -56.573
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: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -589.782047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.782047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.782047 (E_RNA)
where:
Base-Base interactions energy: -389.442
where: short stacking energy: -185.854
Base-Backbone interact. energy: -0.976
local terms energy: -199.364212
where:
bonds (distance) C4'-P energy: -45.771
bonds (distance) P-C4' energy: -49.747
flat angles C4'-P-C4' energy: -47.951
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -30.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -423.223465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.223465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.223465 (E_RNA)
where:
Base-Base interactions energy: -239.261
where: short stacking energy: -119.652
Base-Backbone interact. energy: 0.030
local terms energy: -183.992807
where:
bonds (distance) C4'-P energy: -41.509
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -52.629
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -6.189
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: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1072.864847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.864847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.864847 (E_RNA)
where:
Base-Base interactions energy: -747.936
where: short stacking energy: -328.638
Base-Backbone interact. energy: -0.656
local terms energy: -324.273405
where:
bonds (distance) C4'-P energy: -57.161
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -71.279
flat angles P-C4'-P energy: -36.796
tors. eta vs tors. theta energy: -94.410
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: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1079.805846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.805846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.805846 (E_RNA)
where:
Base-Base interactions energy: -780.246
where: short stacking energy: -303.563
Base-Backbone interact. energy: 0.004
local terms energy: -299.563340
where:
bonds (distance) C4'-P energy: -48.768
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -66.481
flat angles P-C4'-P energy: -50.219
tors. eta vs tors. theta energy: -71.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1037.270224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.270224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.270224 (E_RNA)
where:
Base-Base interactions energy: -722.311
where: short stacking energy: -302.570
Base-Backbone interact. energy: -1.011
local terms energy: -313.947955
where:
bonds (distance) C4'-P energy: -56.617
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -66.210
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: -88.962
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: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1020.876879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.876879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.876879 (E_RNA)
where:
Base-Base interactions energy: -717.568
where: short stacking energy: -329.142
Base-Backbone interact. energy: -0.041
local terms energy: -303.268642
where:
bonds (distance) C4'-P energy: -51.950
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -67.333
flat angles P-C4'-P energy: -43.748
tors. eta vs tors. theta energy: -96.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -957.019931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.019931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.019931 (E_RNA)
where:
Base-Base interactions energy: -646.833
where: short stacking energy: -288.549
Base-Backbone interact. energy: -0.613
local terms energy: -309.573330
where:
bonds (distance) C4'-P energy: -64.985
bonds (distance) P-C4' energy: -54.311
flat angles C4'-P-C4' energy: -58.165
flat angles P-C4'-P energy: -46.915
tors. eta vs tors. theta energy: -85.197
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: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -858.736242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.736242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.736242 (E_RNA)
where:
Base-Base interactions energy: -586.622
where: short stacking energy: -244.245
Base-Backbone interact. energy: -1.416
local terms energy: -270.698624
where:
bonds (distance) C4'-P energy: -51.390
bonds (distance) P-C4' energy: -53.658
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -63.696
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: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -830.875270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.875270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.875270 (E_RNA)
where:
Base-Base interactions energy: -563.539
where: short stacking energy: -259.505
Base-Backbone interact. energy: -0.961
local terms energy: -266.374581
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -61.716
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -63.662
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: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -785.533282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.533282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.533282 (E_RNA)
where:
Base-Base interactions energy: -528.843
where: short stacking energy: -226.297
Base-Backbone interact. energy: -0.506
local terms energy: -256.184352
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -48.679
flat angles C4'-P-C4' energy: -56.930
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -64.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -591.342083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.342083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.342083 (E_RNA)
where:
Base-Base interactions energy: -384.816
where: short stacking energy: -194.432
Base-Backbone interact. energy: -1.010
local terms energy: -205.515586
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -52.984
flat angles C4'-P-C4' energy: -47.751
flat angles P-C4'-P energy: -31.289
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -407.509494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.509494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.509494 (E_RNA)
where:
Base-Base interactions energy: -244.946
where: short stacking energy: -124.376
Base-Backbone interact. energy: -0.133
local terms energy: -162.430176
where:
bonds (distance) C4'-P energy: -48.921
bonds (distance) P-C4' energy: -38.644
flat angles C4'-P-C4' energy: -42.879
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1077.569068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.569068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.569068 (E_RNA)
where:
Base-Base interactions energy: -755.401
where: short stacking energy: -335.385
Base-Backbone interact. energy: -1.797
local terms energy: -320.370896
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -60.722
flat angles P-C4'-P energy: -49.391
tors. eta vs tors. theta energy: -100.178
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: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1062.822045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.822045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.822045 (E_RNA)
where:
Base-Base interactions energy: -752.160
where: short stacking energy: -288.713
Base-Backbone interact. energy: -1.136
local terms energy: -309.526378
where:
bonds (distance) C4'-P energy: -59.429
bonds (distance) P-C4' energy: -61.554
flat angles C4'-P-C4' energy: -63.176
flat angles P-C4'-P energy: -51.435
tors. eta vs tors. theta energy: -73.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1036.788370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.788370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.788370 (E_RNA)
where:
Base-Base interactions energy: -706.423
where: short stacking energy: -319.367
Base-Backbone interact. energy: -1.171
local terms energy: -329.194908
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -63.886
flat angles C4'-P-C4' energy: -70.529
flat angles P-C4'-P energy: -43.516
tors. eta vs tors. theta energy: -90.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1017.128581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.128581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.128581 (E_RNA)
where:
Base-Base interactions energy: -704.957
where: short stacking energy: -313.238
Base-Backbone interact. energy: -0.440
local terms energy: -311.731544
where:
bonds (distance) C4'-P energy: -65.595
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -65.855
flat angles P-C4'-P energy: -43.803
tors. eta vs tors. theta energy: -84.705
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: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -953.204743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.204743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.204743 (E_RNA)
where:
Base-Base interactions energy: -654.766
where: short stacking energy: -287.821
Base-Backbone interact. energy: 0.597
local terms energy: -299.035890
where:
bonds (distance) C4'-P energy: -60.655
bonds (distance) P-C4' energy: -54.295
flat angles C4'-P-C4' energy: -57.342
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -87.101
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: 339
Temperature: 1.150000
Total energy: -882.788897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.788897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.788897 (E_RNA)
where:
Base-Base interactions energy: -604.123
where: short stacking energy: -278.835
Base-Backbone interact. energy: -2.756
local terms energy: -275.910468
where:
bonds (distance) C4'-P energy: -50.330
bonds (distance) P-C4' energy: -51.977
flat angles C4'-P-C4' energy: -60.539
flat angles P-C4'-P energy: -34.091
tors. eta vs tors. theta energy: -78.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -833.717557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.717557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.717557 (E_RNA)
where:
Base-Base interactions energy: -563.331
where: short stacking energy: -247.057
Base-Backbone interact. energy: -2.973
local terms energy: -267.413459
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -56.952
flat angles C4'-P-C4' energy: -55.350
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -61.888
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: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -801.750314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.750314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.750314 (E_RNA)
where:
Base-Base interactions energy: -540.026
where: short stacking energy: -232.274
Base-Backbone interact. energy: -0.324
local terms energy: -261.400172
where:
bonds (distance) C4'-P energy: -52.919
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -34.358
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: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -562.124617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.124617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.124617 (E_RNA)
where:
Base-Base interactions energy: -325.180
where: short stacking energy: -155.180
Base-Backbone interact. energy: -0.082
local terms energy: -236.863391
where:
bonds (distance) C4'-P energy: -61.454
bonds (distance) P-C4' energy: -60.338
flat angles C4'-P-C4' energy: -55.507
flat angles P-C4'-P energy: -33.142
tors. eta vs tors. theta energy: -26.422
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: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -402.091368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.091368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.091368 (E_RNA)
where:
Base-Base interactions energy: -234.864
where: short stacking energy: -103.439
Base-Backbone interact. energy: 1.167
local terms energy: -168.394639
where:
bonds (distance) C4'-P energy: -39.208
bonds (distance) P-C4' energy: -58.509
flat angles C4'-P-C4' energy: -43.948
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: 3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1086.183816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.183816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.183816 (E_RNA)
where:
Base-Base interactions energy: -749.735
where: short stacking energy: -323.222
Base-Backbone interact. energy: -0.641
local terms energy: -335.808627
where:
bonds (distance) C4'-P energy: -55.972
bonds (distance) P-C4' energy: -65.859
flat angles C4'-P-C4' energy: -71.483
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -93.495
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: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1073.178176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.178176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.178176 (E_RNA)
where:
Base-Base interactions energy: -755.480
where: short stacking energy: -315.534
Base-Backbone interact. energy: -1.144
local terms energy: -316.554185
where:
bonds (distance) C4'-P energy: -52.594
bonds (distance) P-C4' energy: -60.209
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -47.505
tors. eta vs tors. theta energy: -85.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1039.818399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.818399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.818399 (E_RNA)
where:
Base-Base interactions energy: -738.141
where: short stacking energy: -306.754
Base-Backbone interact. energy: -3.435
local terms energy: -298.242824
where:
bonds (distance) C4'-P energy: -58.332
bonds (distance) P-C4' energy: -58.815
flat angles C4'-P-C4' energy: -57.187
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -89.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -992.588080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.588080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.588080 (E_RNA)
where:
Base-Base interactions energy: -706.832
where: short stacking energy: -307.600
Base-Backbone interact. energy: 2.401
local terms energy: -288.156379
where:
bonds (distance) C4'-P energy: -51.699
bonds (distance) P-C4' energy: -52.674
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -42.478
tors. eta vs tors. theta energy: -80.195
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: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -976.589118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.589118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.589118 (E_RNA)
where:
Base-Base interactions energy: -691.107
where: short stacking energy: -298.051
Base-Backbone interact. energy: -1.855
local terms energy: -283.627345
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -62.124
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -83.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -858.013669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.013669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.013669 (E_RNA)
where:
Base-Base interactions energy: -595.219
where: short stacking energy: -259.236
Base-Backbone interact. energy: 1.055
local terms energy: -263.849650
where:
bonds (distance) C4'-P energy: -47.165
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -50.933
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: -72.223
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: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -815.719210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.719210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.719210 (E_RNA)
where:
Base-Base interactions energy: -566.709
where: short stacking energy: -228.601
Base-Backbone interact. energy: -1.095
local terms energy: -247.915182
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -62.898
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -62.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -779.226366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.226366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.226366 (E_RNA)
where:
Base-Base interactions energy: -528.229
where: short stacking energy: -207.059
Base-Backbone interact. energy: -1.540
local terms energy: -249.457405
where:
bonds (distance) C4'-P energy: -51.332
bonds (distance) P-C4' energy: -53.990
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -36.046
tors. eta vs tors. theta energy: -51.554
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: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -608.010226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.010226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.010226 (E_RNA)
where:
Base-Base interactions energy: -384.039
where: short stacking energy: -178.664
Base-Backbone interact. energy: -0.025
local terms energy: -223.945917
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -59.617
flat angles C4'-P-C4' energy: -49.747
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -33.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -411.265354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.265354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.265354 (E_RNA)
where:
Base-Base interactions energy: -230.844
where: short stacking energy: -121.731
Base-Backbone interact. energy: -1.076
local terms energy: -179.345861
where:
bonds (distance) C4'-P energy: -50.218
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1094.289569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.289569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.289569 (E_RNA)
where:
Base-Base interactions energy: -763.581
where: short stacking energy: -333.565
Base-Backbone interact. energy: -1.608
local terms energy: -329.100739
where:
bonds (distance) C4'-P energy: -51.535
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -73.410
flat angles P-C4'-P energy: -39.654
tors. eta vs tors. theta energy: -101.236
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: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1065.192077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.192077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.192077 (E_RNA)
where:
Base-Base interactions energy: -757.805
where: short stacking energy: -310.196
Base-Backbone interact. energy: -1.297
local terms energy: -306.090817
where:
bonds (distance) C4'-P energy: -53.618
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -61.555
flat angles P-C4'-P energy: -50.847
tors. eta vs tors. theta energy: -82.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1015.132297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.132297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.132297 (E_RNA)
where:
Base-Base interactions energy: -715.220
where: short stacking energy: -291.439
Base-Backbone interact. energy: -1.087
local terms energy: -298.825568
where:
bonds (distance) C4'-P energy: -57.945
bonds (distance) P-C4' energy: -54.568
flat angles C4'-P-C4' energy: -61.875
flat angles P-C4'-P energy: -40.050
tors. eta vs tors. theta energy: -84.388
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: 341
Temperature: 1.050000
Total energy: -1010.569895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.569895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.569895 (E_RNA)
where:
Base-Base interactions energy: -702.323
where: short stacking energy: -311.865
Base-Backbone interact. energy: 0.980
local terms energy: -309.226243
where:
bonds (distance) C4'-P energy: -58.815
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -59.837
flat angles P-C4'-P energy: -38.838
tors. eta vs tors. theta energy: -93.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -943.323488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.323488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.323488 (E_RNA)
where:
Base-Base interactions energy: -636.080
where: short stacking energy: -281.391
Base-Backbone interact. energy: -0.426
local terms energy: -306.817666
where:
bonds (distance) C4'-P energy: -54.768
bonds (distance) P-C4' energy: -59.312
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -50.681
tors. eta vs tors. theta energy: -73.211
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: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -869.018706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.018706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.018706 (E_RNA)
where:
Base-Base interactions energy: -584.959
where: short stacking energy: -251.423
Base-Backbone interact. energy: 0.470
local terms energy: -284.529302
where:
bonds (distance) C4'-P energy: -50.358
bonds (distance) P-C4' energy: -60.844
flat angles C4'-P-C4' energy: -57.881
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: -73.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -848.455828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.455828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.455828 (E_RNA)
where:
Base-Base interactions energy: -575.617
where: short stacking energy: -254.636
Base-Backbone interact. energy: -0.773
local terms energy: -272.065297
where:
bonds (distance) C4'-P energy: -60.353
bonds (distance) P-C4' energy: -50.174
flat angles C4'-P-C4' energy: -56.725
flat angles P-C4'-P energy: -34.162
tors. eta vs tors. theta energy: -70.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -779.193636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.193636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.193636 (E_RNA)
where:
Base-Base interactions energy: -532.914
where: short stacking energy: -234.274
Base-Backbone interact. energy: -1.066
local terms energy: -245.213521
where:
bonds (distance) C4'-P energy: -42.587
bonds (distance) P-C4' energy: -46.147
flat angles C4'-P-C4' energy: -62.626
flat angles P-C4'-P energy: -42.086
tors. eta vs tors. theta energy: -51.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -607.469007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.469007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.469007 (E_RNA)
where:
Base-Base interactions energy: -380.539
where: short stacking energy: -176.800
Base-Backbone interact. energy: 1.592
local terms energy: -228.522178
where:
bonds (distance) C4'-P energy: -48.341
bonds (distance) P-C4' energy: -66.547
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -38.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -428.117426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.117426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.117426 (E_RNA)
where:
Base-Base interactions energy: -235.091
where: short stacking energy: -118.685
Base-Backbone interact. energy: -0.659
local terms energy: -192.367597
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -50.140
flat angles C4'-P-C4' energy: -43.937
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1102.365532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.365532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.365532 (E_RNA)
where:
Base-Base interactions energy: -772.118
where: short stacking energy: -337.773
Base-Backbone interact. energy: -1.623
local terms energy: -328.624933
where:
bonds (distance) C4'-P energy: -62.109
bonds (distance) P-C4' energy: -58.296
flat angles C4'-P-C4' energy: -65.639
flat angles P-C4'-P energy: -43.979
tors. eta vs tors. theta energy: -98.601
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: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1069.385959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.385959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.385959 (E_RNA)
where:
Base-Base interactions energy: -769.172
where: short stacking energy: -313.126
Base-Backbone interact. energy: -0.664
local terms energy: -299.549670
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -63.681
flat angles C4'-P-C4' energy: -64.897
flat angles P-C4'-P energy: -48.071
tors. eta vs tors. theta energy: -75.546
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: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1033.182257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.182257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.182257 (E_RNA)
where:
Base-Base interactions energy: -713.515
where: short stacking energy: -304.213
Base-Backbone interact. energy: -0.989
local terms energy: -318.678849
where:
bonds (distance) C4'-P energy: -61.600
bonds (distance) P-C4' energy: -63.433
flat angles C4'-P-C4' energy: -65.248
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -89.176
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: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1018.103255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.103255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.103255 (E_RNA)
where:
Base-Base interactions energy: -717.983
where: short stacking energy: -316.660
Base-Backbone interact. energy: -0.686
local terms energy: -299.434877
where:
bonds (distance) C4'-P energy: -51.714
bonds (distance) P-C4' energy: -51.137
flat angles C4'-P-C4' energy: -55.329
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -97.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -962.157960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.157960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.157960 (E_RNA)
where:
Base-Base interactions energy: -658.698
where: short stacking energy: -298.035
Base-Backbone interact. energy: -0.536
local terms energy: -302.923642
where:
bonds (distance) C4'-P energy: -54.290
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -54.097
flat angles P-C4'-P energy: -43.320
tors. eta vs tors. theta energy: -85.841
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: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -853.465608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.465608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.465608 (E_RNA)
where:
Base-Base interactions energy: -579.387
where: short stacking energy: -255.420
Base-Backbone interact. energy: 1.585
local terms energy: -275.663969
where:
bonds (distance) C4'-P energy: -51.528
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -75.196
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: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -827.467164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.467164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.467164 (E_RNA)
where:
Base-Base interactions energy: -572.142
where: short stacking energy: -245.755
Base-Backbone interact. energy: -1.599
local terms energy: -253.726266
where:
bonds (distance) C4'-P energy: -49.037
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -63.839
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -61.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -806.949326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.949326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.949326 (E_RNA)
where:
Base-Base interactions energy: -544.353
where: short stacking energy: -238.333
Base-Backbone interact. energy: -1.418
local terms energy: -261.178110
where:
bonds (distance) C4'-P energy: -53.469
bonds (distance) P-C4' energy: -48.236
flat angles C4'-P-C4' energy: -52.649
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -65.295
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: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -589.828712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.828712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.828712 (E_RNA)
where:
Base-Base interactions energy: -350.141
where: short stacking energy: -168.797
Base-Backbone interact. energy: 4.189
local terms energy: -243.876390
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -55.882
flat angles C4'-P-C4' energy: -60.576
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -41.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -433.029069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.029069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.029069 (E_RNA)
where:
Base-Base interactions energy: -231.733
where: short stacking energy: -119.717
Base-Backbone interact. energy: -0.810
local terms energy: -200.485812
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -44.596
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1127.430322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.430322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.430322 (E_RNA)
where:
Base-Base interactions energy: -793.998
where: short stacking energy: -348.925
Base-Backbone interact. energy: -0.996
local terms energy: -332.436533
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -59.936
flat angles C4'-P-C4' energy: -74.038
flat angles P-C4'-P energy: -45.926
tors. eta vs tors. theta energy: -101.659
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: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1085.300786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.300786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.300786 (E_RNA)
where:
Base-Base interactions energy: -772.815
where: short stacking energy: -308.964
Base-Backbone interact. energy: -2.970
local terms energy: -309.515042
where:
bonds (distance) C4'-P energy: -69.019
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -47.760
tors. eta vs tors. theta energy: -77.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1022.755677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.755677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.755677 (E_RNA)
where:
Base-Base interactions energy: -721.822
where: short stacking energy: -303.574
Base-Backbone interact. energy: 0.120
local terms energy: -301.053788
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -50.312
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -48.044
tors. eta vs tors. theta energy: -88.938
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: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1026.709318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.709318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.709318 (E_RNA)
where:
Base-Base interactions energy: -718.520
where: short stacking energy: -324.119
Base-Backbone interact. energy: 0.131
local terms energy: -308.320514
where:
bonds (distance) C4'-P energy: -49.733
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -64.197
flat angles P-C4'-P energy: -41.292
tors. eta vs tors. theta energy: -94.884
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: 343
Temperature: 1.100000
Total energy: -971.516143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.516143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.516143 (E_RNA)
where:
Base-Base interactions energy: -682.312
where: short stacking energy: -292.021
Base-Backbone interact. energy: -1.235
local terms energy: -287.968505
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -62.232
flat angles C4'-P-C4' energy: -55.281
flat angles P-C4'-P energy: -36.495
tors. eta vs tors. theta energy: -85.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -808.743219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.743219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.743219 (E_RNA)
where:
Base-Base interactions energy: -537.923
where: short stacking energy: -245.934
Base-Backbone interact. energy: -0.551
local terms energy: -270.270126
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -35.098
tors. eta vs tors. theta energy: -69.324
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: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -824.743924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.743924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.743924 (E_RNA)
where:
Base-Base interactions energy: -551.689
where: short stacking energy: -239.083
Base-Backbone interact. energy: -1.481
local terms energy: -271.574454
where:
bonds (distance) C4'-P energy: -59.941
bonds (distance) P-C4' energy: -61.342
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -26.386
tors. eta vs tors. theta energy: -67.193
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: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -705.124871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.124871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.124871 (E_RNA)
where:
Base-Base interactions energy: -468.729
where: short stacking energy: -201.998
Base-Backbone interact. energy: -0.454
local terms energy: -235.941895
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -58.167
flat angles C4'-P-C4' energy: -51.530
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -45.221
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: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -601.638756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.638756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.638756 (E_RNA)
where:
Base-Base interactions energy: -375.253
where: short stacking energy: -179.011
Base-Backbone interact. energy: -0.675
local terms energy: -225.710370
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -55.266
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -36.668
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: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -444.198296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.198296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.198296 (E_RNA)
where:
Base-Base interactions energy: -260.648
where: short stacking energy: -133.231
Base-Backbone interact. energy: -1.745
local terms energy: -181.804495
where:
bonds (distance) C4'-P energy: -51.574
bonds (distance) P-C4' energy: -60.269
flat angles C4'-P-C4' energy: -44.968
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1123.528610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.528610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.528610 (E_RNA)
where:
Base-Base interactions energy: -789.181
where: short stacking energy: -328.955
Base-Backbone interact. energy: -1.072
local terms energy: -333.275863
where:
bonds (distance) C4'-P energy: -55.146
bonds (distance) P-C4' energy: -56.991
flat angles C4'-P-C4' energy: -77.275
flat angles P-C4'-P energy: -50.025
tors. eta vs tors. theta energy: -93.839
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: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1074.666310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.666310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.666310 (E_RNA)
where:
Base-Base interactions energy: -773.367
where: short stacking energy: -307.823
Base-Backbone interact. energy: -1.546
local terms energy: -299.753509
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -59.124
flat angles C4'-P-C4' energy: -64.882
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -80.888
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: 344
Temperature: 1.000000
Total energy: -1042.131368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.131368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.131368 (E_RNA)
where:
Base-Base interactions energy: -714.215
where: short stacking energy: -317.932
Base-Backbone interact. energy: 1.079
local terms energy: -328.995649
where:
bonds (distance) C4'-P energy: -60.578
bonds (distance) P-C4' energy: -66.089
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -45.681
tors. eta vs tors. theta energy: -94.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1002.665124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.665124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.665124 (E_RNA)
where:
Base-Base interactions energy: -697.072
where: short stacking energy: -302.472
Base-Backbone interact. energy: -1.516
local terms energy: -304.076440
where:
bonds (distance) C4'-P energy: -57.917
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -66.019
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -84.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -946.806409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.806409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.806409 (E_RNA)
where:
Base-Base interactions energy: -651.638
where: short stacking energy: -279.131
Base-Backbone interact. energy: -1.219
local terms energy: -293.949510
where:
bonds (distance) C4'-P energy: -52.516
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -41.718
tors. eta vs tors. theta energy: -81.213
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: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -849.089964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.089964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.089964 (E_RNA)
where:
Base-Base interactions energy: -568.607
where: short stacking energy: -256.954
Base-Backbone interact. energy: -0.224
local terms energy: -280.258497
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -65.738
flat angles C4'-P-C4' energy: -52.175
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -74.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -817.936746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.936746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.936746 (E_RNA)
where:
Base-Base interactions energy: -585.663
where: short stacking energy: -253.619
Base-Backbone interact. energy: 0.135
local terms energy: -232.408570
where:
bonds (distance) C4'-P energy: -44.936
bonds (distance) P-C4' energy: -51.779
flat angles C4'-P-C4' energy: -44.027
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -61.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -690.908928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.908928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.908928 (E_RNA)
where:
Base-Base interactions energy: -477.669
where: short stacking energy: -200.605
Base-Backbone interact. energy: -0.907
local terms energy: -212.332004
where:
bonds (distance) C4'-P energy: -36.383
bonds (distance) P-C4' energy: -43.098
flat angles C4'-P-C4' energy: -60.595
flat angles P-C4'-P energy: -35.742
tors. eta vs tors. theta energy: -36.514
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: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -605.950085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.950085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.950085 (E_RNA)
where:
Base-Base interactions energy: -388.984
where: short stacking energy: -185.765
Base-Backbone interact. energy: -0.877
local terms energy: -216.089251
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -54.401
flat angles C4'-P-C4' energy: -51.464
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -33.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -442.029633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.029633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.029633 (E_RNA)
where:
Base-Base interactions energy: -264.902
where: short stacking energy: -124.846
Base-Backbone interact. energy: -0.237
local terms energy: -176.890414
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -51.380
flat angles C4'-P-C4' energy: -43.283
flat angles P-C4'-P energy: -27.886
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1112.821842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.821842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.821842 (E_RNA)
where:
Base-Base interactions energy: -784.062
where: short stacking energy: -331.635
Base-Backbone interact. energy: -0.563
local terms energy: -328.196514
where:
bonds (distance) C4'-P energy: -59.883
bonds (distance) P-C4' energy: -58.231
flat angles C4'-P-C4' energy: -70.887
flat angles P-C4'-P energy: -40.107
tors. eta vs tors. theta energy: -99.089
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: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1050.750874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.750874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.750874 (E_RNA)
where:
Base-Base interactions energy: -736.608
where: short stacking energy: -326.798
Base-Backbone interact. energy: -1.367
local terms energy: -312.775318
where:
bonds (distance) C4'-P energy: -60.725
bonds (distance) P-C4' energy: -46.257
flat angles C4'-P-C4' energy: -69.764
flat angles P-C4'-P energy: -45.551
tors. eta vs tors. theta energy: -90.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1037.011108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.011108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.011108 (E_RNA)
where:
Base-Base interactions energy: -734.431
where: short stacking energy: -298.599
Base-Backbone interact. energy: -0.955
local terms energy: -301.624990
where:
bonds (distance) C4'-P energy: -58.242
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -67.085
flat angles P-C4'-P energy: -48.668
tors. eta vs tors. theta energy: -75.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -994.196793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.196793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.196793 (E_RNA)
where:
Base-Base interactions energy: -675.225
where: short stacking energy: -309.914
Base-Backbone interact. energy: 0.855
local terms energy: -319.827363
where:
bonds (distance) C4'-P energy: -60.204
bonds (distance) P-C4' energy: -56.463
flat angles C4'-P-C4' energy: -64.319
flat angles P-C4'-P energy: -45.163
tors. eta vs tors. theta energy: -93.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -981.411672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.411672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.411672 (E_RNA)
where:
Base-Base interactions energy: -683.108
where: short stacking energy: -291.802
Base-Backbone interact. energy: -1.397
local terms energy: -296.906493
where:
bonds (distance) C4'-P energy: -58.074
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -61.065
flat angles P-C4'-P energy: -39.867
tors. eta vs tors. theta energy: -88.319
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: 345
Temperature: 1.150000
Total energy: -851.550085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.550085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.550085 (E_RNA)
where:
Base-Base interactions energy: -581.169
where: short stacking energy: -251.939
Base-Backbone interact. energy: -0.359
local terms energy: -270.022055
where:
bonds (distance) C4'-P energy: -32.886
bonds (distance) P-C4' energy: -52.162
flat angles C4'-P-C4' energy: -59.551
flat angles P-C4'-P energy: -49.353
tors. eta vs tors. theta energy: -76.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -823.309690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.309690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.309690 (E_RNA)
where:
Base-Base interactions energy: -576.416
where: short stacking energy: -252.425
Base-Backbone interact. energy: -2.652
local terms energy: -244.241451
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -48.506
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -69.955
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: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -634.384105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.384105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.384105 (E_RNA)
where:
Base-Base interactions energy: -408.269
where: short stacking energy: -192.615
Base-Backbone interact. energy: -0.744
local terms energy: -225.371476
where:
bonds (distance) C4'-P energy: -46.791
bonds (distance) P-C4' energy: -48.306
flat angles C4'-P-C4' energy: -52.010
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -48.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -658.621426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.621426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.621426 (E_RNA)
where:
Base-Base interactions energy: -449.016
where: short stacking energy: -185.368
Base-Backbone interact. energy: -1.570
local terms energy: -208.035727
where:
bonds (distance) C4'-P energy: -45.811
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -46.253
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -39.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -408.457018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.457018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.457018 (E_RNA)
where:
Base-Base interactions energy: -224.079
where: short stacking energy: -129.482
Base-Backbone interact. energy: -0.954
local terms energy: -183.423334
where:
bonds (distance) C4'-P energy: -42.956
bonds (distance) P-C4' energy: -59.415
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -31.638
tors. eta vs tors. theta energy: -14.310
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: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1092.181754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.181754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.181754 (E_RNA)
where:
Base-Base interactions energy: -747.948
where: short stacking energy: -339.821
Base-Backbone interact. energy: -0.093
local terms energy: -344.141144
where:
bonds (distance) C4'-P energy: -63.644
bonds (distance) P-C4' energy: -58.035
flat angles C4'-P-C4' energy: -70.138
flat angles P-C4'-P energy: -52.645
tors. eta vs tors. theta energy: -99.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1091.262717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.262717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.262717 (E_RNA)
where:
Base-Base interactions energy: -756.145
where: short stacking energy: -344.522
Base-Backbone interact. energy: 0.465
local terms energy: -335.582612
where:
bonds (distance) C4'-P energy: -54.773
bonds (distance) P-C4' energy: -60.928
flat angles C4'-P-C4' energy: -72.955
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -104.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1069.681951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.681951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.681951 (E_RNA)
where:
Base-Base interactions energy: -758.968
where: short stacking energy: -315.650
Base-Backbone interact. energy: -0.674
local terms energy: -310.040417
where:
bonds (distance) C4'-P energy: -47.671
bonds (distance) P-C4' energy: -69.018
flat angles C4'-P-C4' energy: -68.475
flat angles P-C4'-P energy: -44.034
tors. eta vs tors. theta energy: -80.843
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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -979.157895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.157895 (E_RNA)
where:
Base-Base interactions energy: -678.430
where: short stacking energy: -309.617
Base-Backbone interact. energy: -0.688
local terms energy: -300.040469
where:
bonds (distance) C4'-P energy: -56.867
bonds (distance) P-C4' energy: -58.503
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -83.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -971.232626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.232626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.232626 (E_RNA)
where:
Base-Base interactions energy: -695.037
where: short stacking energy: -284.093
Base-Backbone interact. energy: -0.893
local terms energy: -275.303104
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -51.862
flat angles C4'-P-C4' energy: -59.412
flat angles P-C4'-P energy: -43.953
tors. eta vs tors. theta energy: -77.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -855.177255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.177255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.177255 (E_RNA)
where:
Base-Base interactions energy: -573.421
where: short stacking energy: -237.654
Base-Backbone interact. energy: -1.982
local terms energy: -279.774127
where:
bonds (distance) C4'-P energy: -57.453
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -54.558
flat angles P-C4'-P energy: -43.236
tors. eta vs tors. theta energy: -69.453
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: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -817.248318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.248318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.248318 (E_RNA)
where:
Base-Base interactions energy: -537.947
where: short stacking energy: -217.198
Base-Backbone interact. energy: -1.512
local terms energy: -277.789797
where:
bonds (distance) C4'-P energy: -61.016
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -61.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -655.030139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.030139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.030139 (E_RNA)
where:
Base-Base interactions energy: -422.430
where: short stacking energy: -180.102
Base-Backbone interact. energy: -2.480
local terms energy: -230.120474
where:
bonds (distance) C4'-P energy: -45.889
bonds (distance) P-C4' energy: -57.574
flat angles C4'-P-C4' energy: -51.827
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -37.129
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: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -646.409392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.409392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.409392 (E_RNA)
where:
Base-Base interactions energy: -412.349
where: short stacking energy: -188.365
Base-Backbone interact. energy: -0.213
local terms energy: -233.846502
where:
bonds (distance) C4'-P energy: -52.042
bonds (distance) P-C4' energy: -53.542
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -42.188
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: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -418.373229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.373229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.373229 (E_RNA)
where:
Base-Base interactions energy: -226.163
where: short stacking energy: -112.279
Base-Backbone interact. energy: -1.234
local terms energy: -190.976642
where:
bonds (distance) C4'-P energy: -47.944
bonds (distance) P-C4' energy: -50.873
flat angles C4'-P-C4' energy: -51.210
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1111.620225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.620225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.620225 (E_RNA)
where:
Base-Base interactions energy: -778.847
where: short stacking energy: -348.952
Base-Backbone interact. energy: 1.228
local terms energy: -334.001423
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -64.161
flat angles C4'-P-C4' energy: -69.968
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -97.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1094.840487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.840487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.840487 (E_RNA)
where:
Base-Base interactions energy: -767.505
where: short stacking energy: -339.933
Base-Backbone interact. energy: 0.699
local terms energy: -328.034956
where:
bonds (distance) C4'-P energy: -55.480
bonds (distance) P-C4' energy: -63.705
flat angles C4'-P-C4' energy: -72.626
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -99.083
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: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1039.911217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.911217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.911217 (E_RNA)
where:
Base-Base interactions energy: -750.827
where: short stacking energy: -300.669
Base-Backbone interact. energy: 2.212
local terms energy: -291.295641
where:
bonds (distance) C4'-P energy: -54.692
bonds (distance) P-C4' energy: -55.815
flat angles C4'-P-C4' energy: -61.105
flat angles P-C4'-P energy: -47.754
tors. eta vs tors. theta energy: -71.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -961.332070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.332070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.332070 (E_RNA)
where:
Base-Base interactions energy: -674.957
where: short stacking energy: -291.962
Base-Backbone interact. energy: 4.080
local terms energy: -290.455253
where:
bonds (distance) C4'-P energy: -62.988
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -58.362
flat angles P-C4'-P energy: -45.853
tors. eta vs tors. theta energy: -74.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -985.141304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.141304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.141304 (E_RNA)
where:
Base-Base interactions energy: -691.026
where: short stacking energy: -303.949
Base-Backbone interact. energy: -0.660
local terms energy: -293.456005
where:
bonds (distance) C4'-P energy: -53.751
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -67.318
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -91.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -868.668405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.668405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.668405 (E_RNA)
where:
Base-Base interactions energy: -586.695
where: short stacking energy: -252.406
Base-Backbone interact. energy: -1.574
local terms energy: -280.399672
where:
bonds (distance) C4'-P energy: -58.984
bonds (distance) P-C4' energy: -59.075
flat angles C4'-P-C4' energy: -50.852
flat angles P-C4'-P energy: -39.032
tors. eta vs tors. theta energy: -72.456
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: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -823.209946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.209946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.209946 (E_RNA)
where:
Base-Base interactions energy: -556.070
where: short stacking energy: -250.975
Base-Backbone interact. energy: 6.218
local terms energy: -273.357207
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -57.297
flat angles C4'-P-C4' energy: -64.810
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -64.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -671.259608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.259608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.259608 (E_RNA)
where:
Base-Base interactions energy: -439.513
where: short stacking energy: -210.437
Base-Backbone interact. energy: 1.189
local terms energy: -232.935519
where:
bonds (distance) C4'-P energy: -55.878
bonds (distance) P-C4' energy: -51.806
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -37.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -616.416073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.416073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.416073 (E_RNA)
where:
Base-Base interactions energy: -401.720
where: short stacking energy: -180.519
Base-Backbone interact. energy: -0.767
local terms energy: -213.928982
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -55.575
flat angles C4'-P-C4' energy: -51.454
flat angles P-C4'-P energy: -29.939
tors. eta vs tors. theta energy: -40.238
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: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -426.996576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.996576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.996576 (E_RNA)
where:
Base-Base interactions energy: -235.672
where: short stacking energy: -130.430
Base-Backbone interact. energy: -1.133
local terms energy: -190.190954
where:
bonds (distance) C4'-P energy: -50.086
bonds (distance) P-C4' energy: -48.766
flat angles C4'-P-C4' energy: -45.656
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1109.745785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.745785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.745785 (E_RNA)
where:
Base-Base interactions energy: -784.807
where: short stacking energy: -344.373
Base-Backbone interact. energy: -1.336
local terms energy: -323.602784
where:
bonds (distance) C4'-P energy: -46.952
bonds (distance) P-C4' energy: -64.693
flat angles C4'-P-C4' energy: -69.024
flat angles P-C4'-P energy: -47.141
tors. eta vs tors. theta energy: -95.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1078.352634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.352634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.352634 (E_RNA)
where:
Base-Base interactions energy: -758.446
where: short stacking energy: -347.307
Base-Backbone interact. energy: 0.636
local terms energy: -320.542974
where:
bonds (distance) C4'-P energy: -56.285
bonds (distance) P-C4' energy: -56.825
flat angles C4'-P-C4' energy: -67.189
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -97.675
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: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1032.964320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.964320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.964320 (E_RNA)
where:
Base-Base interactions energy: -728.916
where: short stacking energy: -281.761
Base-Backbone interact. energy: 0.215
local terms energy: -304.263623
where:
bonds (distance) C4'-P energy: -48.614
bonds (distance) P-C4' energy: -56.583
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -55.240
tors. eta vs tors. theta energy: -74.355
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: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -988.234811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.234811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.234811 (E_RNA)
where:
Base-Base interactions energy: -682.223
where: short stacking energy: -305.528
Base-Backbone interact. energy: -0.408
local terms energy: -305.604338
where:
bonds (distance) C4'-P energy: -57.035
bonds (distance) P-C4' energy: -59.039
flat angles C4'-P-C4' energy: -67.659
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -83.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -976.603791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.603791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.603791 (E_RNA)
where:
Base-Base interactions energy: -659.693
where: short stacking energy: -276.687
Base-Backbone interact. energy: 1.495
local terms energy: -318.405445
where:
bonds (distance) C4'-P energy: -54.980
bonds (distance) P-C4' energy: -64.964
flat angles C4'-P-C4' energy: -66.777
flat angles P-C4'-P energy: -43.302
tors. eta vs tors. theta energy: -88.383
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: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -887.061361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.061361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.061361 (E_RNA)
where:
Base-Base interactions energy: -605.956
where: short stacking energy: -269.323
Base-Backbone interact. energy: -1.017
local terms energy: -280.088488
where:
bonds (distance) C4'-P energy: -51.758
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -77.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -804.604961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.604961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.604961 (E_RNA)
where:
Base-Base interactions energy: -540.288
where: short stacking energy: -240.484
Base-Backbone interact. energy: -0.428
local terms energy: -263.889475
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -56.123
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -66.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -668.652555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.652555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.652555 (E_RNA)
where:
Base-Base interactions energy: -455.759
where: short stacking energy: -210.823
Base-Backbone interact. energy: 1.741
local terms energy: -214.634968
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -41.415
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -30.353
tors. eta vs tors. theta energy: -47.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -601.537745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.537745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.537745 (E_RNA)
where:
Base-Base interactions energy: -373.388
where: short stacking energy: -184.414
Base-Backbone interact. energy: -1.853
local terms energy: -226.296800
where:
bonds (distance) C4'-P energy: -51.320
bonds (distance) P-C4' energy: -50.826
flat angles C4'-P-C4' energy: -47.895
flat angles P-C4'-P energy: -29.631
tors. eta vs tors. theta energy: -46.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -435.772036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.772036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.772036 (E_RNA)
where:
Base-Base interactions energy: -237.119
where: short stacking energy: -129.998
Base-Backbone interact. energy: -0.617
local terms energy: -198.036068
where:
bonds (distance) C4'-P energy: -48.050
bonds (distance) P-C4' energy: -49.687
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -19.303
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: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1119.274405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.274405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.274405 (E_RNA)
where:
Base-Base interactions energy: -783.960
where: short stacking energy: -334.433
Base-Backbone interact. energy: -2.208
local terms energy: -333.106149
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -66.112
flat angles C4'-P-C4' energy: -69.965
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -100.059
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: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1076.126657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.126657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.126657 (E_RNA)
where:
Base-Base interactions energy: -761.180
where: short stacking energy: -339.841
Base-Backbone interact. energy: 2.755
local terms energy: -317.701985
where:
bonds (distance) C4'-P energy: -52.580
bonds (distance) P-C4' energy: -57.858
flat angles C4'-P-C4' energy: -67.257
flat angles P-C4'-P energy: -45.151
tors. eta vs tors. theta energy: -94.856
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: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1057.221814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.221814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.221814 (E_RNA)
where:
Base-Base interactions energy: -758.605
where: short stacking energy: -296.177
Base-Backbone interact. energy: -2.026
local terms energy: -296.590297
where:
bonds (distance) C4'-P energy: -46.276
bonds (distance) P-C4' energy: -59.396
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -52.892
tors. eta vs tors. theta energy: -69.506
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -979.227796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.227796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.227796 (E_RNA)
where:
Base-Base interactions energy: -669.416
where: short stacking energy: -307.128
Base-Backbone interact. energy: -0.134
local terms energy: -309.678654
where:
bonds (distance) C4'-P energy: -53.707
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -64.322
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -85.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1000.933212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.933212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.933212 (E_RNA)
where:
Base-Base interactions energy: -690.176
where: short stacking energy: -306.644
Base-Backbone interact. energy: -1.019
local terms energy: -309.737821
where:
bonds (distance) C4'-P energy: -54.543
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -64.217
flat angles P-C4'-P energy: -44.435
tors. eta vs tors. theta energy: -86.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -877.233570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.233570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.233570 (E_RNA)
where:
Base-Base interactions energy: -609.629
where: short stacking energy: -269.271
Base-Backbone interact. energy: -2.153
local terms energy: -265.450949
where:
bonds (distance) C4'-P energy: -46.526
bonds (distance) P-C4' energy: -56.398
flat angles C4'-P-C4' energy: -55.735
flat angles P-C4'-P energy: -30.417
tors. eta vs tors. theta energy: -76.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -812.703420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.703420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.703420 (E_RNA)
where:
Base-Base interactions energy: -566.101
where: short stacking energy: -243.801
Base-Backbone interact. energy: -1.547
local terms energy: -245.056268
where:
bonds (distance) C4'-P energy: -49.738
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -52.409
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -62.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -681.290345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.290345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.290345 (E_RNA)
where:
Base-Base interactions energy: -461.185
where: short stacking energy: -217.896
Base-Backbone interact. energy: -1.178
local terms energy: -218.928070
where:
bonds (distance) C4'-P energy: -45.095
bonds (distance) P-C4' energy: -44.621
flat angles C4'-P-C4' energy: -59.815
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -40.260
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: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -644.048653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.048653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.048653 (E_RNA)
where:
Base-Base interactions energy: -422.044
where: short stacking energy: -208.799
Base-Backbone interact. energy: 3.013
local terms energy: -225.016775
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -53.812
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: -42.071
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: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -419.278876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.278876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.278876 (E_RNA)
where:
Base-Base interactions energy: -245.460
where: short stacking energy: -113.820
Base-Backbone interact. energy: -1.477
local terms energy: -172.341554
where:
bonds (distance) C4'-P energy: -45.246
bonds (distance) P-C4' energy: -44.403
flat angles C4'-P-C4' energy: -40.642
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1123.530708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.530708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.530708 (E_RNA)
where:
Base-Base interactions energy: -787.505
where: short stacking energy: -338.688
Base-Backbone interact. energy: -0.702
local terms energy: -335.323536
where:
bonds (distance) C4'-P energy: -52.490
bonds (distance) P-C4' energy: -63.072
flat angles C4'-P-C4' energy: -71.271
flat angles P-C4'-P energy: -50.833
tors. eta vs tors. theta energy: -97.658
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: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1080.900839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.900839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.900839 (E_RNA)
where:
Base-Base interactions energy: -757.056
where: short stacking energy: -334.739
Base-Backbone interact. energy: 1.581
local terms energy: -325.426617
where:
bonds (distance) C4'-P energy: -60.500
bonds (distance) P-C4' energy: -53.611
flat angles C4'-P-C4' energy: -71.642
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: -92.070
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: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1030.239877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.239877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.239877 (E_RNA)
where:
Base-Base interactions energy: -731.571
where: short stacking energy: -296.584
Base-Backbone interact. energy: -0.980
local terms energy: -297.688331
where:
bonds (distance) C4'-P energy: -52.592
bonds (distance) P-C4' energy: -60.909
flat angles C4'-P-C4' energy: -67.563
flat angles P-C4'-P energy: -49.484
tors. eta vs tors. theta energy: -67.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -965.212552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.212552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.212552 (E_RNA)
where:
Base-Base interactions energy: -652.416
where: short stacking energy: -296.359
Base-Backbone interact. energy: -0.518
local terms energy: -312.279200
where:
bonds (distance) C4'-P energy: -58.103
bonds (distance) P-C4' energy: -58.616
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -48.398
tors. eta vs tors. theta energy: -80.247
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: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -967.643150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.643150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.643150 (E_RNA)
where:
Base-Base interactions energy: -667.762
where: short stacking energy: -276.416
Base-Backbone interact. energy: -0.382
local terms energy: -299.499665
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -58.399
flat angles C4'-P-C4' energy: -65.612
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -85.449
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: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -891.453388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.453388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.453388 (E_RNA)
where:
Base-Base interactions energy: -622.795
where: short stacking energy: -270.303
Base-Backbone interact. energy: -1.145
local terms energy: -267.513353
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -48.280
flat angles C4'-P-C4' energy: -59.675
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -77.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -795.540304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.540304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.540304 (E_RNA)
where:
Base-Base interactions energy: -544.764
where: short stacking energy: -245.727
Base-Backbone interact. energy: 1.134
local terms energy: -251.910311
where:
bonds (distance) C4'-P energy: -45.231
bonds (distance) P-C4' energy: -48.080
flat angles C4'-P-C4' energy: -59.839
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -61.780
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: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -677.417622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.417622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.417622 (E_RNA)
where:
Base-Base interactions energy: -442.694
where: short stacking energy: -219.097
Base-Backbone interact. energy: -2.088
local terms energy: -232.636338
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -49.457
flat angles C4'-P-C4' energy: -58.980
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -44.343
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: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -636.095500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.095500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.095500 (E_RNA)
where:
Base-Base interactions energy: -406.482
where: short stacking energy: -196.463
Base-Backbone interact. energy: -0.394
local terms energy: -229.218972
where:
bonds (distance) C4'-P energy: -42.784
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -55.725
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -51.007
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: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -435.424676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.424676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.424676 (E_RNA)
where:
Base-Base interactions energy: -247.803
where: short stacking energy: -141.000
Base-Backbone interact. energy: -2.165
local terms energy: -185.456667
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -60.285
flat angles C4'-P-C4' energy: -44.571
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -14.375
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: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1113.786036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.786036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.786036 (E_RNA)
where:
Base-Base interactions energy: -785.014
where: short stacking energy: -342.352
Base-Backbone interact. energy: 1.717
local terms energy: -330.489588
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -57.806
flat angles C4'-P-C4' energy: -69.795
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -94.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1089.016326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.016326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.016326 (E_RNA)
where:
Base-Base interactions energy: -753.383
where: short stacking energy: -338.143
Base-Backbone interact. energy: 1.574
local terms energy: -337.206780
where:
bonds (distance) C4'-P energy: -61.032
bonds (distance) P-C4' energy: -66.969
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -96.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1038.489542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.489542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.489542 (E_RNA)
where:
Base-Base interactions energy: -746.629
where: short stacking energy: -303.153
Base-Backbone interact. energy: 0.532
local terms energy: -292.392216
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -58.167
flat angles C4'-P-C4' energy: -65.289
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -77.562
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: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1000.461810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.461810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.461810 (E_RNA)
where:
Base-Base interactions energy: -691.745
where: short stacking energy: -298.547
Base-Backbone interact. energy: -1.077
local terms energy: -307.639950
where:
bonds (distance) C4'-P energy: -60.675
bonds (distance) P-C4' energy: -44.733
flat angles C4'-P-C4' energy: -70.149
flat angles P-C4'-P energy: -47.017
tors. eta vs tors. theta energy: -85.066
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: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -970.687802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.687802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.687802 (E_RNA)
where:
Base-Base interactions energy: -658.192
where: short stacking energy: -310.048
Base-Backbone interact. energy: -0.667
local terms energy: -311.828049
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -63.077
flat angles C4'-P-C4' energy: -68.944
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -86.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -862.065646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.065646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.065646 (E_RNA)
where:
Base-Base interactions energy: -604.895
where: short stacking energy: -265.360
Base-Backbone interact. energy: 0.582
local terms energy: -257.752646
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -55.288
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -69.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -807.222655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.222655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.222655 (E_RNA)
where:
Base-Base interactions energy: -537.465
where: short stacking energy: -234.030
Base-Backbone interact. energy: 0.172
local terms energy: -269.930256
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -36.199
tors. eta vs tors. theta energy: -65.117
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: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -645.380394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.380394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.380394 (E_RNA)
where:
Base-Base interactions energy: -413.153
where: short stacking energy: -196.917
Base-Backbone interact. energy: -3.701
local terms energy: -228.526062
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -44.894
flat angles C4'-P-C4' energy: -55.348
flat angles P-C4'-P energy: -37.721
tors. eta vs tors. theta energy: -42.384
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: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -603.539568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.539568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.539568 (E_RNA)
where:
Base-Base interactions energy: -364.567
where: short stacking energy: -168.525
Base-Backbone interact. energy: 3.287
local terms energy: -242.259961
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -55.765
flat angles C4'-P-C4' energy: -50.555
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: -39.793
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: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -409.889657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.889657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.889657 (E_RNA)
where:
Base-Base interactions energy: -249.057
where: short stacking energy: -114.428
Base-Backbone interact. energy: -0.235
local terms energy: -160.597237
where:
bonds (distance) C4'-P energy: -44.867
bonds (distance) P-C4' energy: -41.272
flat angles C4'-P-C4' energy: -52.863
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -3.374
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: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1135.715824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.715824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.715824 (E_RNA)
where:
Base-Base interactions energy: -797.729
where: short stacking energy: -350.631
Base-Backbone interact. energy: -1.075
local terms energy: -336.912112
where:
bonds (distance) C4'-P energy: -58.016
bonds (distance) P-C4' energy: -58.543
flat angles C4'-P-C4' energy: -72.470
flat angles P-C4'-P energy: -56.616
tors. eta vs tors. theta energy: -91.267
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: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1079.609333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.609333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.609333 (E_RNA)
where:
Base-Base interactions energy: -751.672
where: short stacking energy: -333.428
Base-Backbone interact. energy: -0.228
local terms energy: -327.709418
where:
bonds (distance) C4'-P energy: -59.987
bonds (distance) P-C4' energy: -58.990
flat angles C4'-P-C4' energy: -70.120
flat angles P-C4'-P energy: -43.530
tors. eta vs tors. theta energy: -95.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1031.018792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.018792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.018792 (E_RNA)
where:
Base-Base interactions energy: -722.932
where: short stacking energy: -310.973
Base-Backbone interact. energy: -1.245
local terms energy: -306.842054
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -55.156
flat angles C4'-P-C4' energy: -63.748
flat angles P-C4'-P energy: -46.389
tors. eta vs tors. theta energy: -89.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -994.925415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.925415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.925415 (E_RNA)
where:
Base-Base interactions energy: -724.638
where: short stacking energy: -271.286
Base-Backbone interact. energy: 0.580
local terms energy: -270.866921
where:
bonds (distance) C4'-P energy: -60.829
bonds (distance) P-C4' energy: -51.651
flat angles C4'-P-C4' energy: -61.308
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -66.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -976.506822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.506822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.506822 (E_RNA)
where:
Base-Base interactions energy: -689.734
where: short stacking energy: -304.572
Base-Backbone interact. energy: -0.746
local terms energy: -286.027475
where:
bonds (distance) C4'-P energy: -49.929
bonds (distance) P-C4' energy: -49.852
flat angles C4'-P-C4' energy: -56.849
flat angles P-C4'-P energy: -42.006
tors. eta vs tors. theta energy: -87.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -844.985477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.985477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.985477 (E_RNA)
where:
Base-Base interactions energy: -579.185
where: short stacking energy: -259.102
Base-Backbone interact. energy: -0.286
local terms energy: -265.514715
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -53.677
flat angles C4'-P-C4' energy: -62.182
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -64.003
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -805.565461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.565461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.565461 (E_RNA)
where:
Base-Base interactions energy: -547.797
where: short stacking energy: -242.543
Base-Backbone interact. energy: -1.169
local terms energy: -256.600096
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -56.876
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -40.245
tors. eta vs tors. theta energy: -59.830
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: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -626.172022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.172022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.172022 (E_RNA)
where:
Base-Base interactions energy: -407.783
where: short stacking energy: -194.361
Base-Backbone interact. energy: -0.166
local terms energy: -218.223057
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -42.148
flat angles C4'-P-C4' energy: -56.964
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -35.069
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -608.800354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.800354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.800354 (E_RNA)
where:
Base-Base interactions energy: -383.389
where: short stacking energy: -166.699
Base-Backbone interact. energy: -1.064
local terms energy: -224.347840
where:
bonds (distance) C4'-P energy: -55.266
bonds (distance) P-C4' energy: -53.452
flat angles C4'-P-C4' energy: -53.778
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -454.953732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.953732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.953732 (E_RNA)
where:
Base-Base interactions energy: -256.750
where: short stacking energy: -127.530
Base-Backbone interact. energy: -0.167
local terms energy: -198.036417
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -63.846
flat angles C4'-P-C4' energy: -49.801
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -8.956
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: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1124.854756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.854756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.854756 (E_RNA)
where:
Base-Base interactions energy: -789.643
where: short stacking energy: -331.891
Base-Backbone interact. energy: -1.645
local terms energy: -333.567066
where:
bonds (distance) C4'-P energy: -61.690
bonds (distance) P-C4' energy: -60.598
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -48.486
tors. eta vs tors. theta energy: -99.896
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: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1037.377156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.377156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.377156 (E_RNA)
where:
Base-Base interactions energy: -724.892
where: short stacking energy: -301.832
Base-Backbone interact. energy: -0.787
local terms energy: -311.697355
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -58.022
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -45.255
tors. eta vs tors. theta energy: -86.665
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: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1053.310298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.310298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.310298 (E_RNA)
where:
Base-Base interactions energy: -726.878
where: short stacking energy: -326.131
Base-Backbone interact. energy: -0.254
local terms energy: -326.178626
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -56.312
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -42.296
tors. eta vs tors. theta energy: -97.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -982.729167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.729167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.729167 (E_RNA)
where:
Base-Base interactions energy: -689.957
where: short stacking energy: -303.957
Base-Backbone interact. energy: -0.298
local terms energy: -292.473402
where:
bonds (distance) C4'-P energy: -66.295
bonds (distance) P-C4' energy: -51.609
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -34.222
tors. eta vs tors. theta energy: -77.944
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: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -944.707936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.707936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.707936 (E_RNA)
where:
Base-Base interactions energy: -655.464
where: short stacking energy: -263.657
Base-Backbone interact. energy: 0.268
local terms energy: -289.512109
where:
bonds (distance) C4'-P energy: -60.462
bonds (distance) P-C4' energy: -48.596
flat angles C4'-P-C4' energy: -71.463
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -63.537
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: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -867.873666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.873666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.873666 (E_RNA)
where:
Base-Base interactions energy: -596.214
where: short stacking energy: -259.644
Base-Backbone interact. energy: -2.480
local terms energy: -269.179897
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -53.690
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -30.993
tors. eta vs tors. theta energy: -75.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -783.789912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.789912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.789912 (E_RNA)
where:
Base-Base interactions energy: -531.321
where: short stacking energy: -246.812
Base-Backbone interact. energy: -1.218
local terms energy: -251.250605
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -54.654
flat angles C4'-P-C4' energy: -55.657
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -60.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -629.587973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.587973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.587973 (E_RNA)
where:
Base-Base interactions energy: -409.179
where: short stacking energy: -188.117
Base-Backbone interact. energy: -0.107
local terms energy: -220.302359
where:
bonds (distance) C4'-P energy: -35.729
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -35.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -619.637327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.637327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.637327 (E_RNA)
where:
Base-Base interactions energy: -403.389
where: short stacking energy: -181.203
Base-Backbone interact. energy: -1.178
local terms energy: -215.070474
where:
bonds (distance) C4'-P energy: -53.997
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -32.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -415.550897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.550897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.550897 (E_RNA)
where:
Base-Base interactions energy: -211.528
where: short stacking energy: -108.515
Base-Backbone interact. energy: 3.265
local terms energy: -207.287423
where:
bonds (distance) C4'-P energy: -62.432
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -11.484
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: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1110.707738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.707738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.707738 (E_RNA)
where:
Base-Base interactions energy: -783.232
where: short stacking energy: -344.012
Base-Backbone interact. energy: -1.434
local terms energy: -326.041926
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -47.739
flat angles C4'-P-C4' energy: -65.750
flat angles P-C4'-P energy: -46.323
tors. eta vs tors. theta energy: -100.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1054.124012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.124012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.124012 (E_RNA)
where:
Base-Base interactions energy: -738.773
where: short stacking energy: -314.544
Base-Backbone interact. energy: -0.311
local terms energy: -315.039655
where:
bonds (distance) C4'-P energy: -66.775
bonds (distance) P-C4' energy: -56.879
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: -90.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1038.031490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.031490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.031490 (E_RNA)
where:
Base-Base interactions energy: -725.779
where: short stacking energy: -328.237
Base-Backbone interact. energy: -1.944
local terms energy: -310.308583
where:
bonds (distance) C4'-P energy: -62.477
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -91.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -962.509101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.509101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.509101 (E_RNA)
where:
Base-Base interactions energy: -662.385
where: short stacking energy: -299.701
Base-Backbone interact. energy: -0.800
local terms energy: -299.324340
where:
bonds (distance) C4'-P energy: -55.735
bonds (distance) P-C4' energy: -51.648
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -87.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -960.194464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.194464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.194464 (E_RNA)
where:
Base-Base interactions energy: -693.603
where: short stacking energy: -280.865
Base-Backbone interact. energy: -0.913
local terms energy: -265.678598
where:
bonds (distance) C4'-P energy: -47.000
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -34.902
tors. eta vs tors. theta energy: -72.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -871.987370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.987370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.987370 (E_RNA)
where:
Base-Base interactions energy: -612.014
where: short stacking energy: -276.502
Base-Backbone interact. energy: -0.072
local terms energy: -259.901313
where:
bonds (distance) C4'-P energy: -44.389
bonds (distance) P-C4' energy: -40.459
flat angles C4'-P-C4' energy: -67.650
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -69.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -822.673690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.673690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.673690 (E_RNA)
where:
Base-Base interactions energy: -561.314
where: short stacking energy: -261.964
Base-Backbone interact. energy: 0.475
local terms energy: -261.834320
where:
bonds (distance) C4'-P energy: -56.536
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -35.945
tors. eta vs tors. theta energy: -63.549
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: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -681.389048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.389048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.389048 (E_RNA)
where:
Base-Base interactions energy: -438.395
where: short stacking energy: -207.212
Base-Backbone interact. energy: -0.569
local terms energy: -242.424685
where:
bonds (distance) C4'-P energy: -59.428
bonds (distance) P-C4' energy: -57.016
flat angles C4'-P-C4' energy: -47.951
flat angles P-C4'-P energy: -27.865
tors. eta vs tors. theta energy: -50.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -632.984837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.984837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.984837 (E_RNA)
where:
Base-Base interactions energy: -397.291
where: short stacking energy: -180.636
Base-Backbone interact. energy: -0.965
local terms energy: -234.729265
where:
bonds (distance) C4'-P energy: -59.752
bonds (distance) P-C4' energy: -56.263
flat angles C4'-P-C4' energy: -54.893
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -36.737
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: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -446.200598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.200598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.200598 (E_RNA)
where:
Base-Base interactions energy: -245.753
where: short stacking energy: -130.012
Base-Backbone interact. energy: -0.551
local terms energy: -199.896699
where:
bonds (distance) C4'-P energy: -50.380
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1113.787600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.787600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.787600 (E_RNA)
where:
Base-Base interactions energy: -810.437
where: short stacking energy: -341.384
Base-Backbone interact. energy: 0.138
local terms energy: -303.488338
where:
bonds (distance) C4'-P energy: -52.107
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -62.965
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -88.388
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: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1064.154665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.154665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.154665 (E_RNA)
where:
Base-Base interactions energy: -736.447
where: short stacking energy: -324.855
Base-Backbone interact. energy: 0.092
local terms energy: -327.799766
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -69.228
flat angles P-C4'-P energy: -43.436
tors. eta vs tors. theta energy: -98.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1026.083719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.083719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.083719 (E_RNA)
where:
Base-Base interactions energy: -721.837
where: short stacking energy: -326.098
Base-Backbone interact. energy: 2.979
local terms energy: -307.226387
where:
bonds (distance) C4'-P energy: -60.364
bonds (distance) P-C4' energy: -59.597
flat angles C4'-P-C4' energy: -58.107
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -93.083
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: 355
Temperature: 1.050000
Total energy: -990.033956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.033956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.033956 (E_RNA)
where:
Base-Base interactions energy: -678.271
where: short stacking energy: -284.394
Base-Backbone interact. energy: -2.994
local terms energy: -308.768665
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -58.602
flat angles C4'-P-C4' energy: -71.042
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -78.016
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: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -981.212651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.212651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.212651 (E_RNA)
where:
Base-Base interactions energy: -675.462
where: short stacking energy: -312.539
Base-Backbone interact. energy: -0.610
local terms energy: -305.141242
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -58.655
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: -91.804
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: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -873.411351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.411351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.411351 (E_RNA)
where:
Base-Base interactions energy: -582.451
where: short stacking energy: -258.374
Base-Backbone interact. energy: -1.925
local terms energy: -289.035453
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -62.022
flat angles C4'-P-C4' energy: -54.109
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -75.135
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -839.801351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.801351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.801351 (E_RNA)
where:
Base-Base interactions energy: -563.648
where: short stacking energy: -240.120
Base-Backbone interact. energy: -0.912
local terms energy: -275.241722
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -62.244
flat angles C4'-P-C4' energy: -58.067
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -58.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -648.127241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.127241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.127241 (E_RNA)
where:
Base-Base interactions energy: -417.092
where: short stacking energy: -193.575
Base-Backbone interact. energy: 3.895
local terms energy: -234.929632
where:
bonds (distance) C4'-P energy: -48.325
bonds (distance) P-C4' energy: -49.342
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -34.898
tors. eta vs tors. theta energy: -42.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -644.338256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.338256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.338256 (E_RNA)
where:
Base-Base interactions energy: -409.848
where: short stacking energy: -180.745
Base-Backbone interact. energy: -0.783
local terms energy: -233.707309
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -52.992
flat angles C4'-P-C4' energy: -44.814
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -46.352
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: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -460.307855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.307855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.307855 (E_RNA)
where:
Base-Base interactions energy: -267.319
where: short stacking energy: -122.626
Base-Backbone interact. energy: -0.713
local terms energy: -192.275781
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -45.802
flat angles P-C4'-P energy: -28.869
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1090.731669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.731669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.731669 (E_RNA)
where:
Base-Base interactions energy: -771.401
where: short stacking energy: -343.783
Base-Backbone interact. energy: -0.356
local terms energy: -318.974585
where:
bonds (distance) C4'-P energy: -58.912
bonds (distance) P-C4' energy: -58.410
flat angles C4'-P-C4' energy: -67.006
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -98.247
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: 2, replica: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1082.608574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.608574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.608574 (E_RNA)
where:
Base-Base interactions energy: -751.288
where: short stacking energy: -329.077
Base-Backbone interact. energy: -0.635
local terms energy: -330.685654
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -57.486
flat angles C4'-P-C4' energy: -69.381
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -99.495
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: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1045.931847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.931847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.931847 (E_RNA)
where:
Base-Base interactions energy: -720.102
where: short stacking energy: -309.029
Base-Backbone interact. energy: -0.488
local terms energy: -325.342274
where:
bonds (distance) C4'-P energy: -61.156
bonds (distance) P-C4' energy: -61.288
flat angles C4'-P-C4' energy: -66.576
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -90.781
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: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -998.542473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.542473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.542473 (E_RNA)
where:
Base-Base interactions energy: -709.114
where: short stacking energy: -297.730
Base-Backbone interact. energy: -1.611
local terms energy: -287.817056
where:
bonds (distance) C4'-P energy: -54.966
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -62.201
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -77.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -971.882557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.882557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.882557 (E_RNA)
where:
Base-Base interactions energy: -677.291
where: short stacking energy: -305.815
Base-Backbone interact. energy: -1.178
local terms energy: -293.412959
where:
bonds (distance) C4'-P energy: -52.746
bonds (distance) P-C4' energy: -58.671
flat angles C4'-P-C4' energy: -59.816
flat angles P-C4'-P energy: -44.543
tors. eta vs tors. theta energy: -77.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -890.940126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.940126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.940126 (E_RNA)
where:
Base-Base interactions energy: -615.197
where: short stacking energy: -263.817
Base-Backbone interact. energy: -0.634
local terms energy: -275.109796
where:
bonds (distance) C4'-P energy: -56.771
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -62.145
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -76.141
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: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -826.260478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.260478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.260478 (E_RNA)
where:
Base-Base interactions energy: -538.851
where: short stacking energy: -235.073
Base-Backbone interact. energy: 1.440
local terms energy: -288.849309
where:
bonds (distance) C4'-P energy: -61.050
bonds (distance) P-C4' energy: -55.111
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -67.154
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -658.555281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.555281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.555281 (E_RNA)
where:
Base-Base interactions energy: -434.014
where: short stacking energy: -197.429
Base-Backbone interact. energy: 1.425
local terms energy: -225.966154
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -50.095
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -35.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -648.287188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.287188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.287188 (E_RNA)
where:
Base-Base interactions energy: -412.469
where: short stacking energy: -197.788
Base-Backbone interact. energy: -0.077
local terms energy: -235.741805
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -48.475
flat angles C4'-P-C4' energy: -63.938
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -54.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -431.185906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.185906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.185906 (E_RNA)
where:
Base-Base interactions energy: -255.448
where: short stacking energy: -115.585
Base-Backbone interact. energy: 3.542
local terms energy: -179.280351
where:
bonds (distance) C4'-P energy: -58.360
bonds (distance) P-C4' energy: -50.997
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -25.489
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1098.347642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.347642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.347642 (E_RNA)
where:
Base-Base interactions energy: -761.877
where: short stacking energy: -360.121
Base-Backbone interact. energy: -0.062
local terms energy: -336.408576
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -60.859
flat angles C4'-P-C4' energy: -74.475
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -99.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1108.207024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.207024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.207024 (E_RNA)
where:
Base-Base interactions energy: -779.467
where: short stacking energy: -325.631
Base-Backbone interact. energy: -1.334
local terms energy: -327.406178
where:
bonds (distance) C4'-P energy: -68.249
bonds (distance) P-C4' energy: -52.090
flat angles C4'-P-C4' energy: -67.847
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: -100.735
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: 357
Temperature: 1.000000
Total energy: -1054.288298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.288298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.288298 (E_RNA)
where:
Base-Base interactions energy: -727.206
where: short stacking energy: -311.505
Base-Backbone interact. energy: -1.450
local terms energy: -325.632390
where:
bonds (distance) C4'-P energy: -60.622
bonds (distance) P-C4' energy: -62.199
flat angles C4'-P-C4' energy: -69.312
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -90.430
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: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -993.083269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.083269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.083269 (E_RNA)
where:
Base-Base interactions energy: -696.048
where: short stacking energy: -298.483
Base-Backbone interact. energy: -0.175
local terms energy: -296.860371
where:
bonds (distance) C4'-P energy: -56.221
bonds (distance) P-C4' energy: -64.143
flat angles C4'-P-C4' energy: -56.425
flat angles P-C4'-P energy: -41.330
tors. eta vs tors. theta energy: -78.742
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: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -954.952078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.952078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.952078 (E_RNA)
where:
Base-Base interactions energy: -633.239
where: short stacking energy: -289.996
Base-Backbone interact. energy: -1.327
local terms energy: -320.385992
where:
bonds (distance) C4'-P energy: -56.358
bonds (distance) P-C4' energy: -64.741
flat angles C4'-P-C4' energy: -66.844
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -82.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -862.224311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.224311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.224311 (E_RNA)
where:
Base-Base interactions energy: -588.683
where: short stacking energy: -248.061
Base-Backbone interact. energy: -2.293
local terms energy: -271.247956
where:
bonds (distance) C4'-P energy: -49.618
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -62.035
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -69.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -807.536908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.536908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.536908 (E_RNA)
where:
Base-Base interactions energy: -536.591
where: short stacking energy: -243.261
Base-Backbone interact. energy: 1.674
local terms energy: -272.619587
where:
bonds (distance) C4'-P energy: -50.475
bonds (distance) P-C4' energy: -58.855
flat angles C4'-P-C4' energy: -64.198
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -63.021
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: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -637.315931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.315931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.315931 (E_RNA)
where:
Base-Base interactions energy: -410.378
where: short stacking energy: -192.007
Base-Backbone interact. energy: -1.541
local terms energy: -225.397018
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -53.289
flat angles P-C4'-P energy: -28.744
tors. eta vs tors. theta energy: -41.984
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: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -649.856616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.856616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.856616 (E_RNA)
where:
Base-Base interactions energy: -422.264
where: short stacking energy: -187.008
Base-Backbone interact. energy: 5.790
local terms energy: -233.382645
where:
bonds (distance) C4'-P energy: -47.454
bonds (distance) P-C4' energy: -55.645
flat angles C4'-P-C4' energy: -60.782
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -38.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -435.501119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.501119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.501119 (E_RNA)
where:
Base-Base interactions energy: -224.523
where: short stacking energy: -129.127
Base-Backbone interact. energy: 2.199
local terms energy: -213.177478
where:
bonds (distance) C4'-P energy: -49.435
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -56.485
flat angles P-C4'-P energy: -34.460
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1136.634414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.634414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.634414 (E_RNA)
where:
Base-Base interactions energy: -784.858
where: short stacking energy: -345.489
Base-Backbone interact. energy: -0.825
local terms energy: -350.951336
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -62.068
flat angles C4'-P-C4' energy: -79.293
flat angles P-C4'-P energy: -46.715
tors. eta vs tors. theta energy: -103.707
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: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1079.566702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.566702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.566702 (E_RNA)
where:
Base-Base interactions energy: -746.494
where: short stacking energy: -335.327
Base-Backbone interact. energy: 3.177
local terms energy: -336.249709
where:
bonds (distance) C4'-P energy: -59.950
bonds (distance) P-C4' energy: -65.985
flat angles C4'-P-C4' energy: -68.426
flat angles P-C4'-P energy: -47.044
tors. eta vs tors. theta energy: -94.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1014.929175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.929175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.929175 (E_RNA)
where:
Base-Base interactions energy: -717.409
where: short stacking energy: -311.064
Base-Backbone interact. energy: -1.345
local terms energy: -296.175653
where:
bonds (distance) C4'-P energy: -48.640
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -68.245
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -86.651
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: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -997.209630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.209630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.209630 (E_RNA)
where:
Base-Base interactions energy: -698.649
where: short stacking energy: -288.072
Base-Backbone interact. energy: -1.189
local terms energy: -297.371493
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -60.170
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -44.290
tors. eta vs tors. theta energy: -77.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -945.177370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.177370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.177370 (E_RNA)
where:
Base-Base interactions energy: -652.770
where: short stacking energy: -291.881
Base-Backbone interact. energy: -2.032
local terms energy: -290.375312
where:
bonds (distance) C4'-P energy: -50.510
bonds (distance) P-C4' energy: -45.413
flat angles C4'-P-C4' energy: -71.460
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -82.647
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: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -878.834490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.834490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.834490 (E_RNA)
where:
Base-Base interactions energy: -587.143
where: short stacking energy: -257.720
Base-Backbone interact. energy: -1.329
local terms energy: -290.362851
where:
bonds (distance) C4'-P energy: -52.374
bonds (distance) P-C4' energy: -68.831
flat angles C4'-P-C4' energy: -61.026
flat angles P-C4'-P energy: -40.617
tors. eta vs tors. theta energy: -67.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -802.263747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.263747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.263747 (E_RNA)
where:
Base-Base interactions energy: -539.921
where: short stacking energy: -234.448
Base-Backbone interact. energy: 1.133
local terms energy: -263.475795
where:
bonds (distance) C4'-P energy: -60.620
bonds (distance) P-C4' energy: -47.451
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -56.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -644.974107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.974107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.974107 (E_RNA)
where:
Base-Base interactions energy: -412.596
where: short stacking energy: -194.389
Base-Backbone interact. energy: -1.354
local terms energy: -231.024363
where:
bonds (distance) C4'-P energy: -52.553
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -42.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -591.449802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.449802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.449802 (E_RNA)
where:
Base-Base interactions energy: -375.717
where: short stacking energy: -184.004
Base-Backbone interact. energy: -0.131
local terms energy: -215.602338
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -53.034
flat angles C4'-P-C4' energy: -42.672
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -413.159518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.159518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.159518 (E_RNA)
where:
Base-Base interactions energy: -228.493
where: short stacking energy: -116.473
Base-Backbone interact. energy: -0.611
local terms energy: -184.055368
where:
bonds (distance) C4'-P energy: -45.043
bonds (distance) P-C4' energy: -64.504
flat angles C4'-P-C4' energy: -48.313
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: 0.072
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: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1141.451598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.451598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.451598 (E_RNA)
where:
Base-Base interactions energy: -795.368
where: short stacking energy: -341.046
Base-Backbone interact. energy: 0.555
local terms energy: -346.638092
where:
bonds (distance) C4'-P energy: -63.211
bonds (distance) P-C4' energy: -67.869
flat angles C4'-P-C4' energy: -68.649
flat angles P-C4'-P energy: -54.780
tors. eta vs tors. theta energy: -92.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1095.839662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.839662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.839662 (E_RNA)
where:
Base-Base interactions energy: -772.063
where: short stacking energy: -339.366
Base-Backbone interact. energy: 1.497
local terms energy: -325.273423
where:
bonds (distance) C4'-P energy: -59.384
bonds (distance) P-C4' energy: -54.134
flat angles C4'-P-C4' energy: -73.377
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -99.410
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: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1034.398390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.398390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.398390 (E_RNA)
where:
Base-Base interactions energy: -720.255
where: short stacking energy: -301.265
Base-Backbone interact. energy: -2.018
local terms energy: -312.125084
where:
bonds (distance) C4'-P energy: -59.299
bonds (distance) P-C4' energy: -47.495
flat angles C4'-P-C4' energy: -59.886
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -97.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1000.696527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.696527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.696527 (E_RNA)
where:
Base-Base interactions energy: -709.518
where: short stacking energy: -291.011
Base-Backbone interact. energy: -1.876
local terms energy: -289.301677
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -67.541
flat angles P-C4'-P energy: -46.949
tors. eta vs tors. theta energy: -75.339
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: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -949.619120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.619120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.619120 (E_RNA)
where:
Base-Base interactions energy: -658.795
where: short stacking energy: -272.865
Base-Backbone interact. energy: -0.255
local terms energy: -290.568392
where:
bonds (distance) C4'-P energy: -51.773
bonds (distance) P-C4' energy: -55.656
flat angles C4'-P-C4' energy: -67.388
flat angles P-C4'-P energy: -40.448
tors. eta vs tors. theta energy: -75.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -829.641155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.641155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.641155 (E_RNA)
where:
Base-Base interactions energy: -555.325
where: short stacking energy: -245.891
Base-Backbone interact. energy: 5.715
local terms energy: -280.031364
where:
bonds (distance) C4'-P energy: -57.011
bonds (distance) P-C4' energy: -62.289
flat angles C4'-P-C4' energy: -52.709
flat angles P-C4'-P energy: -36.987
tors. eta vs tors. theta energy: -71.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -839.168771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.168771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.168771 (E_RNA)
where:
Base-Base interactions energy: -569.104
where: short stacking energy: -264.746
Base-Backbone interact. energy: 0.243
local terms energy: -270.308127
where:
bonds (distance) C4'-P energy: -52.564
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -51.745
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -67.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -649.872523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.872523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.872523 (E_RNA)
where:
Base-Base interactions energy: -425.072
where: short stacking energy: -191.498
Base-Backbone interact. energy: 1.317
local terms energy: -226.116887
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -55.508
flat angles C4'-P-C4' energy: -46.920
flat angles P-C4'-P energy: -34.818
tors. eta vs tors. theta energy: -41.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -566.518176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.518176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.518176 (E_RNA)
where:
Base-Base interactions energy: -347.198
where: short stacking energy: -169.575
Base-Backbone interact. energy: -0.938
local terms energy: -218.382321
where:
bonds (distance) C4'-P energy: -49.783
bonds (distance) P-C4' energy: -54.837
flat angles C4'-P-C4' energy: -53.351
flat angles P-C4'-P energy: -20.732
tors. eta vs tors. theta energy: -39.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -411.482942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.482942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.482942 (E_RNA)
where:
Base-Base interactions energy: -258.307
where: short stacking energy: -137.868
Base-Backbone interact. energy: 3.203
local terms energy: -156.379292
where:
bonds (distance) C4'-P energy: -38.137
bonds (distance) P-C4' energy: -54.091
flat angles C4'-P-C4' energy: -40.900
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1133.531184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.531184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.531184 (E_RNA)
where:
Base-Base interactions energy: -807.449
where: short stacking energy: -345.483
Base-Backbone interact. energy: -3.420
local terms energy: -322.662020
where:
bonds (distance) C4'-P energy: -48.504
bonds (distance) P-C4' energy: -66.958
flat angles C4'-P-C4' energy: -67.160
flat angles P-C4'-P energy: -45.066
tors. eta vs tors. theta energy: -94.974
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: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1070.647110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.647110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.647110 (E_RNA)
where:
Base-Base interactions energy: -753.305
where: short stacking energy: -333.875
Base-Backbone interact. energy: 0.543
local terms energy: -317.885172
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -59.666
flat angles C4'-P-C4' energy: -70.957
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -96.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1025.215866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.215866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.215866 (E_RNA)
where:
Base-Base interactions energy: -710.000
where: short stacking energy: -305.341
Base-Backbone interact. energy: -1.913
local terms energy: -313.303187
where:
bonds (distance) C4'-P energy: -56.616
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -71.602
flat angles P-C4'-P energy: -31.109
tors. eta vs tors. theta energy: -92.149
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: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1025.728878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.728878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.728878 (E_RNA)
where:
Base-Base interactions energy: -716.766
where: short stacking energy: -287.432
Base-Backbone interact. energy: -1.613
local terms energy: -307.349910
where:
bonds (distance) C4'-P energy: -63.563
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -64.933
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -74.572
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: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -978.824915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.824915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.824915 (E_RNA)
where:
Base-Base interactions energy: -671.979
where: short stacking energy: -313.108
Base-Backbone interact. energy: -0.770
local terms energy: -306.076529
where:
bonds (distance) C4'-P energy: -54.218
bonds (distance) P-C4' energy: -54.127
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -96.155
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: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -803.403847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.403847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.403847 (E_RNA)
where:
Base-Base interactions energy: -529.640
where: short stacking energy: -216.445
Base-Backbone interact. energy: -1.357
local terms energy: -272.405998
where:
bonds (distance) C4'-P energy: -58.349
bonds (distance) P-C4' energy: -50.618
flat angles C4'-P-C4' energy: -71.151
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -62.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -824.493185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.493185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.493185 (E_RNA)
where:
Base-Base interactions energy: -563.347
where: short stacking energy: -245.786
Base-Backbone interact. energy: -1.357
local terms energy: -259.788668
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -53.163
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -67.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -667.837761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.837761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.837761 (E_RNA)
where:
Base-Base interactions energy: -445.793
where: short stacking energy: -206.628
Base-Backbone interact. energy: -2.769
local terms energy: -219.275785
where:
bonds (distance) C4'-P energy: -37.312
bonds (distance) P-C4' energy: -50.952
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -48.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -583.115779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.115779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.115779 (E_RNA)
where:
Base-Base interactions energy: -377.601
where: short stacking energy: -174.345
Base-Backbone interact. energy: -0.366
local terms energy: -205.148525
where:
bonds (distance) C4'-P energy: -50.939
bonds (distance) P-C4' energy: -52.772
flat angles C4'-P-C4' energy: -61.567
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -30.172
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: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -432.302931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.302931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.302931 (E_RNA)
where:
Base-Base interactions energy: -242.587
where: short stacking energy: -126.611
Base-Backbone interact. energy: -1.532
local terms energy: -188.183758
where:
bonds (distance) C4'-P energy: -48.508
bonds (distance) P-C4' energy: -50.900
flat angles C4'-P-C4' energy: -53.529
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1132.850097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.850097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.850097 (E_RNA)
where:
Base-Base interactions energy: -804.396
where: short stacking energy: -341.249
Base-Backbone interact. energy: -0.530
local terms energy: -327.924730
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -58.520
flat angles C4'-P-C4' energy: -66.134
flat angles P-C4'-P energy: -46.456
tors. eta vs tors. theta energy: -95.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1074.505991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.505991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.505991 (E_RNA)
where:
Base-Base interactions energy: -749.555
where: short stacking energy: -335.011
Base-Backbone interact. energy: -2.452
local terms energy: -322.498788
where:
bonds (distance) C4'-P energy: -57.744
bonds (distance) P-C4' energy: -61.256
flat angles C4'-P-C4' energy: -65.608
flat angles P-C4'-P energy: -45.308
tors. eta vs tors. theta energy: -92.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1029.384127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.384127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.384127 (E_RNA)
where:
Base-Base interactions energy: -718.834
where: short stacking energy: -309.598
Base-Backbone interact. energy: -1.350
local terms energy: -309.199670
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -50.962
flat angles C4'-P-C4' energy: -65.546
flat angles P-C4'-P energy: -43.418
tors. eta vs tors. theta energy: -96.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1007.530487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.530487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.530487 (E_RNA)
where:
Base-Base interactions energy: -698.554
where: short stacking energy: -285.871
Base-Backbone interact. energy: -1.193
local terms energy: -307.783168
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -56.285
flat angles C4'-P-C4' energy: -61.882
flat angles P-C4'-P energy: -51.386
tors. eta vs tors. theta energy: -77.106
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: 361
Temperature: 1.100000
Total energy: -971.900385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.900385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.900385 (E_RNA)
where:
Base-Base interactions energy: -672.402
where: short stacking energy: -302.304
Base-Backbone interact. energy: -1.297
local terms energy: -298.201633
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -59.016
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -33.485
tors. eta vs tors. theta energy: -89.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -869.513428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.513428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.513428 (E_RNA)
where:
Base-Base interactions energy: -603.801
where: short stacking energy: -275.092
Base-Backbone interact. energy: -0.841
local terms energy: -264.871496
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -57.646
flat angles C4'-P-C4' energy: -63.006
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -69.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -788.834415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.834415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.834415 (E_RNA)
where:
Base-Base interactions energy: -545.757
where: short stacking energy: -240.559
Base-Backbone interact. energy: -0.584
local terms energy: -242.494095
where:
bonds (distance) C4'-P energy: -45.219
bonds (distance) P-C4' energy: -46.536
flat angles C4'-P-C4' energy: -56.553
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -55.024
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: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -674.722002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.722002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.722002 (E_RNA)
where:
Base-Base interactions energy: -438.014
where: short stacking energy: -211.573
Base-Backbone interact. energy: -0.277
local terms energy: -236.431386
where:
bonds (distance) C4'-P energy: -51.439
bonds (distance) P-C4' energy: -43.233
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -57.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -600.739563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.739563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.739563 (E_RNA)
where:
Base-Base interactions energy: -396.340
where: short stacking energy: -180.858
Base-Backbone interact. energy: 2.114
local terms energy: -206.513948
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -53.002
flat angles P-C4'-P energy: -26.982
tors. eta vs tors. theta energy: -39.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -383.289305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.289305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.289305 (E_RNA)
where:
Base-Base interactions energy: -235.311
where: short stacking energy: -119.477
Base-Backbone interact. energy: -1.401
local terms energy: -146.577794
where:
bonds (distance) C4'-P energy: -40.288
bonds (distance) P-C4' energy: -43.727
flat angles C4'-P-C4' energy: -41.680
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -5.913
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: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1117.404414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.404414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.404414 (E_RNA)
where:
Base-Base interactions energy: -784.443
where: short stacking energy: -339.280
Base-Backbone interact. energy: -0.999
local terms energy: -331.962558
where:
bonds (distance) C4'-P energy: -57.687
bonds (distance) P-C4' energy: -64.223
flat angles C4'-P-C4' energy: -71.103
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -93.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1071.420918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.420918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.420918 (E_RNA)
where:
Base-Base interactions energy: -754.029
where: short stacking energy: -333.029
Base-Backbone interact. energy: 1.531
local terms energy: -318.923041
where:
bonds (distance) C4'-P energy: -55.780
bonds (distance) P-C4' energy: -49.341
flat angles C4'-P-C4' energy: -76.955
flat angles P-C4'-P energy: -45.947
tors. eta vs tors. theta energy: -90.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1026.369101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.369101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.369101 (E_RNA)
where:
Base-Base interactions energy: -710.115
where: short stacking energy: -313.724
Base-Backbone interact. energy: -1.116
local terms energy: -315.138719
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -52.471
flat angles C4'-P-C4' energy: -70.429
flat angles P-C4'-P energy: -35.318
tors. eta vs tors. theta energy: -97.070
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: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -990.867814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.867814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.867814 (E_RNA)
where:
Base-Base interactions energy: -716.544
where: short stacking energy: -272.614
Base-Backbone interact. energy: -1.925
local terms energy: -272.399142
where:
bonds (distance) C4'-P energy: -42.441
bonds (distance) P-C4' energy: -69.411
flat angles C4'-P-C4' energy: -62.749
flat angles P-C4'-P energy: -32.052
tors. eta vs tors. theta energy: -65.747
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: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -980.916101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.916101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.916101 (E_RNA)
where:
Base-Base interactions energy: -659.834
where: short stacking energy: -305.832
Base-Backbone interact. energy: -2.584
local terms energy: -318.497392
where:
bonds (distance) C4'-P energy: -59.347
bonds (distance) P-C4' energy: -55.903
flat angles C4'-P-C4' energy: -69.283
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -89.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -885.730517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.730517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.730517 (E_RNA)
where:
Base-Base interactions energy: -610.221
where: short stacking energy: -267.303
Base-Backbone interact. energy: -2.054
local terms energy: -273.455366
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -50.214
flat angles C4'-P-C4' energy: -65.170
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -70.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -805.158514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.158514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.158514 (E_RNA)
where:
Base-Base interactions energy: -553.509
where: short stacking energy: -248.485
Base-Backbone interact. energy: -0.776
local terms energy: -250.872775
where:
bonds (distance) C4'-P energy: -48.280
bonds (distance) P-C4' energy: -53.458
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -64.831
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: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -670.300690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.300690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.300690 (E_RNA)
where:
Base-Base interactions energy: -428.093
where: short stacking energy: -204.277
Base-Backbone interact. energy: -0.128
local terms energy: -242.079075
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -44.921
flat angles C4'-P-C4' energy: -54.191
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -48.352
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: 362
Temperature: 1.300000
Total energy: -627.258515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.258515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.258515 (E_RNA)
where:
Base-Base interactions energy: -393.361
where: short stacking energy: -178.293
Base-Backbone interact. energy: -0.732
local terms energy: -233.165683
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -64.183
flat angles C4'-P-C4' energy: -43.673
flat angles P-C4'-P energy: -28.476
tors. eta vs tors. theta energy: -37.159
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: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -418.349921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.349921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.349921 (E_RNA)
where:
Base-Base interactions energy: -227.351
where: short stacking energy: -123.692
Base-Backbone interact. energy: 0.584
local terms energy: -191.582742
where:
bonds (distance) C4'-P energy: -50.423
bonds (distance) P-C4' energy: -51.597
flat angles C4'-P-C4' energy: -49.501
flat angles P-C4'-P energy: -25.863
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1104.129096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.129096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.129096 (E_RNA)
where:
Base-Base interactions energy: -776.380
where: short stacking energy: -340.575
Base-Backbone interact. energy: -3.387
local terms energy: -324.362082
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -64.830
flat angles C4'-P-C4' energy: -67.719
flat angles P-C4'-P energy: -44.089
tors. eta vs tors. theta energy: -94.866
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: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1052.272654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.272654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.272654 (E_RNA)
where:
Base-Base interactions energy: -738.640
where: short stacking energy: -329.228
Base-Backbone interact. energy: -0.368
local terms energy: -313.265243
where:
bonds (distance) C4'-P energy: -55.850
bonds (distance) P-C4' energy: -52.955
flat angles C4'-P-C4' energy: -68.608
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -93.888
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: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1031.062360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.062360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.062360 (E_RNA)
where:
Base-Base interactions energy: -710.385
where: short stacking energy: -312.585
Base-Backbone interact. energy: -2.566
local terms energy: -318.110901
where:
bonds (distance) C4'-P energy: -66.872
bonds (distance) P-C4' energy: -61.956
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -91.679
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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -990.378073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.378073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.378073 (E_RNA)
where:
Base-Base interactions energy: -690.012
where: short stacking energy: -308.341
Base-Backbone interact. energy: -2.141
local terms energy: -298.224914
where:
bonds (distance) C4'-P energy: -48.907
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -64.213
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -83.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -951.745322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.745322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.745322 (E_RNA)
where:
Base-Base interactions energy: -675.198
where: short stacking energy: -263.113
Base-Backbone interact. energy: -1.306
local terms energy: -275.240715
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -60.147
flat angles C4'-P-C4' energy: -59.179
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -63.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -837.870066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.870066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.870066 (E_RNA)
where:
Base-Base interactions energy: -566.072
where: short stacking energy: -251.065
Base-Backbone interact. energy: -0.881
local terms energy: -270.917470
where:
bonds (distance) C4'-P energy: -56.406
bonds (distance) P-C4' energy: -51.982
flat angles C4'-P-C4' energy: -64.431
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -61.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -832.860478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.860478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.860478 (E_RNA)
where:
Base-Base interactions energy: -555.977
where: short stacking energy: -240.153
Base-Backbone interact. energy: -0.529
local terms energy: -276.355133
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -52.045
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -61.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -634.327150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.327150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.327150 (E_RNA)
where:
Base-Base interactions energy: -412.131
where: short stacking energy: -203.611
Base-Backbone interact. energy: 2.669
local terms energy: -224.865307
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -44.525
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: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -632.297156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.297156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.297156 (E_RNA)
where:
Base-Base interactions energy: -390.062
where: short stacking energy: -166.987
Base-Backbone interact. energy: 1.130
local terms energy: -243.364800
where:
bonds (distance) C4'-P energy: -56.219
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -59.294
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -41.152
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: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -392.251124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.251124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.251124 (E_RNA)
where:
Base-Base interactions energy: -219.502
where: short stacking energy: -121.268
Base-Backbone interact. energy: -1.769
local terms energy: -170.979498
where:
bonds (distance) C4'-P energy: -41.965
bonds (distance) P-C4' energy: -46.494
flat angles C4'-P-C4' energy: -46.937
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -24.456
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: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1121.661573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.661573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.661573 (E_RNA)
where:
Base-Base interactions energy: -796.833
where: short stacking energy: -344.681
Base-Backbone interact. energy: -0.700
local terms energy: -324.128742
where:
bonds (distance) C4'-P energy: -56.805
bonds (distance) P-C4' energy: -65.175
flat angles C4'-P-C4' energy: -71.507
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -92.326
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: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1062.771691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.771691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.771691 (E_RNA)
where:
Base-Base interactions energy: -740.948
where: short stacking energy: -324.326
Base-Backbone interact. energy: -1.845
local terms energy: -319.978380
where:
bonds (distance) C4'-P energy: -58.367
bonds (distance) P-C4' energy: -63.060
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -98.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1019.254041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.254041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.254041 (E_RNA)
where:
Base-Base interactions energy: -686.705
where: short stacking energy: -329.721
Base-Backbone interact. energy: -0.967
local terms energy: -331.582275
where:
bonds (distance) C4'-P energy: -57.468
bonds (distance) P-C4' energy: -61.575
flat angles C4'-P-C4' energy: -71.130
flat angles P-C4'-P energy: -48.224
tors. eta vs tors. theta energy: -93.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1016.957273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.957273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.957273 (E_RNA)
where:
Base-Base interactions energy: -710.021
where: short stacking energy: -305.527
Base-Backbone interact. energy: -2.146
local terms energy: -304.789561
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -40.098
flat angles C4'-P-C4' energy: -67.235
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: -100.971
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: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -981.181231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.181231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.181231 (E_RNA)
where:
Base-Base interactions energy: -689.238
where: short stacking energy: -291.136
Base-Backbone interact. energy: -3.130
local terms energy: -288.812666
where:
bonds (distance) C4'-P energy: -45.035
bonds (distance) P-C4' energy: -54.502
flat angles C4'-P-C4' energy: -60.620
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -78.999
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: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -845.058375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.058375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.058375 (E_RNA)
where:
Base-Base interactions energy: -569.472
where: short stacking energy: -248.473
Base-Backbone interact. energy: -0.315
local terms energy: -275.271355
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -55.875
flat angles C4'-P-C4' energy: -58.599
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -66.066
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: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -809.395686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.395686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.395686 (E_RNA)
where:
Base-Base interactions energy: -565.968
where: short stacking energy: -242.814
Base-Backbone interact. energy: -1.057
local terms energy: -242.370983
where:
bonds (distance) C4'-P energy: -45.767
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -53.991
flat angles P-C4'-P energy: -41.962
tors. eta vs tors. theta energy: -57.541
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: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -628.333414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.333414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.333414 (E_RNA)
where:
Base-Base interactions energy: -404.523
where: short stacking energy: -186.795
Base-Backbone interact. energy: -1.402
local terms energy: -222.408601
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -49.479
flat angles C4'-P-C4' energy: -46.619
flat angles P-C4'-P energy: -30.165
tors. eta vs tors. theta energy: -39.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -567.821999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.821999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.821999 (E_RNA)
where:
Base-Base interactions energy: -367.926
where: short stacking energy: -174.615
Base-Backbone interact. energy: -0.376
local terms energy: -199.520525
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -35.344
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -34.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -435.021326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.021326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.021326 (E_RNA)
where:
Base-Base interactions energy: -245.989
where: short stacking energy: -147.720
Base-Backbone interact. energy: 0.198
local terms energy: -189.230795
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -42.850
flat angles C4'-P-C4' energy: -40.058
flat angles P-C4'-P energy: -32.518
tors. eta vs tors. theta energy: -18.200
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: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1142.447559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.447559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.447559 (E_RNA)
where:
Base-Base interactions energy: -822.471
where: short stacking energy: -355.167
Base-Backbone interact. energy: -2.140
local terms energy: -317.836318
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -71.305
flat angles P-C4'-P energy: -36.342
tors. eta vs tors. theta energy: -94.443
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: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1051.799617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.799617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.799617 (E_RNA)
where:
Base-Base interactions energy: -722.693
where: short stacking energy: -334.345
Base-Backbone interact. energy: 0.457
local terms energy: -329.563522
where:
bonds (distance) C4'-P energy: -64.197
bonds (distance) P-C4' energy: -64.104
flat angles C4'-P-C4' energy: -66.513
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -95.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1028.984126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.984126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.984126 (E_RNA)
where:
Base-Base interactions energy: -718.012
where: short stacking energy: -314.553
Base-Backbone interact. energy: 0.727
local terms energy: -311.698732
where:
bonds (distance) C4'-P energy: -50.690
bonds (distance) P-C4' energy: -54.358
flat angles C4'-P-C4' energy: -68.967
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -94.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1032.177720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.177720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.177720 (E_RNA)
where:
Base-Base interactions energy: -716.366
where: short stacking energy: -296.138
Base-Backbone interact. energy: -3.622
local terms energy: -312.189574
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -60.274
flat angles C4'-P-C4' energy: -66.227
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -86.851
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: 365
Temperature: 1.100000
Total energy: -971.434390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.434390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.434390 (E_RNA)
where:
Base-Base interactions energy: -666.579
where: short stacking energy: -278.114
Base-Backbone interact. energy: -1.135
local terms energy: -303.721112
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -66.413
flat angles P-C4'-P energy: -50.022
tors. eta vs tors. theta energy: -76.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -829.502114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.502114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.502114 (E_RNA)
where:
Base-Base interactions energy: -582.665
where: short stacking energy: -241.616
Base-Backbone interact. energy: -2.582
local terms energy: -244.255358
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -51.865
flat angles C4'-P-C4' energy: -52.300
flat angles P-C4'-P energy: -32.290
tors. eta vs tors. theta energy: -54.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -828.606331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.606331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.606331 (E_RNA)
where:
Base-Base interactions energy: -544.823
where: short stacking energy: -254.682
Base-Backbone interact. energy: -0.174
local terms energy: -283.609527
where:
bonds (distance) C4'-P energy: -51.716
bonds (distance) P-C4' energy: -61.604
flat angles C4'-P-C4' energy: -58.172
flat angles P-C4'-P energy: -43.372
tors. eta vs tors. theta energy: -68.745
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: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -616.766570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.766570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.766570 (E_RNA)
where:
Base-Base interactions energy: -382.270
where: short stacking energy: -173.658
Base-Backbone interact. energy: -0.550
local terms energy: -233.947222
where:
bonds (distance) C4'-P energy: -53.271
bonds (distance) P-C4' energy: -62.492
flat angles C4'-P-C4' energy: -49.534
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: -31.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -555.665444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.665444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.665444 (E_RNA)
where:
Base-Base interactions energy: -334.383
where: short stacking energy: -176.712
Base-Backbone interact. energy: 0.139
local terms energy: -221.421655
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -57.503
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -35.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -421.275919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.275919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.275919 (E_RNA)
where:
Base-Base interactions energy: -216.765
where: short stacking energy: -121.449
Base-Backbone interact. energy: 1.138
local terms energy: -205.648862
where:
bonds (distance) C4'-P energy: -56.453
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1152.786860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.786860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.786860 (E_RNA)
where:
Base-Base interactions energy: -827.289
where: short stacking energy: -346.947
Base-Backbone interact. energy: -2.370
local terms energy: -323.128604
where:
bonds (distance) C4'-P energy: -55.903
bonds (distance) P-C4' energy: -53.958
flat angles C4'-P-C4' energy: -72.689
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -94.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1053.555576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.555576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.555576 (E_RNA)
where:
Base-Base interactions energy: -730.925
where: short stacking energy: -309.177
Base-Backbone interact. energy: -0.885
local terms energy: -321.745466
where:
bonds (distance) C4'-P energy: -63.356
bonds (distance) P-C4' energy: -68.288
flat angles C4'-P-C4' energy: -66.743
flat angles P-C4'-P energy: -32.588
tors. eta vs tors. theta energy: -90.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1044.341315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.341315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.341315 (E_RNA)
where:
Base-Base interactions energy: -724.892
where: short stacking energy: -317.258
Base-Backbone interact. energy: -1.004
local terms energy: -318.445325
where:
bonds (distance) C4'-P energy: -55.355
bonds (distance) P-C4' energy: -62.037
flat angles C4'-P-C4' energy: -72.640
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -89.636
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: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -984.827170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.827170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.827170 (E_RNA)
where:
Base-Base interactions energy: -661.729
where: short stacking energy: -302.693
Base-Backbone interact. energy: -3.771
local terms energy: -319.327389
where:
bonds (distance) C4'-P energy: -57.653
bonds (distance) P-C4' energy: -63.905
flat angles C4'-P-C4' energy: -74.086
flat angles P-C4'-P energy: -40.986
tors. eta vs tors. theta energy: -82.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -994.412275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.412275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.412275 (E_RNA)
where:
Base-Base interactions energy: -710.912
where: short stacking energy: -291.082
Base-Backbone interact. energy: 1.501
local terms energy: -285.001945
where:
bonds (distance) C4'-P energy: -55.494
bonds (distance) P-C4' energy: -56.558
flat angles C4'-P-C4' energy: -58.964
flat angles P-C4'-P energy: -40.079
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: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -831.925684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.925684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.925684 (E_RNA)
where:
Base-Base interactions energy: -572.869
where: short stacking energy: -240.671
Base-Backbone interact. energy: 0.991
local terms energy: -260.047845
where:
bonds (distance) C4'-P energy: -52.257
bonds (distance) P-C4' energy: -60.605
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -66.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -825.764058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.764058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.764058 (E_RNA)
where:
Base-Base interactions energy: -563.223
where: short stacking energy: -252.965
Base-Backbone interact. energy: -0.928
local terms energy: -261.612749
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -54.602
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -61.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -577.748038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.748038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.748038 (E_RNA)
where:
Base-Base interactions energy: -359.658
where: short stacking energy: -155.674
Base-Backbone interact. energy: -0.372
local terms energy: -217.717918
where:
bonds (distance) C4'-P energy: -54.710
bonds (distance) P-C4' energy: -53.934
flat angles C4'-P-C4' energy: -44.709
flat angles P-C4'-P energy: -35.664
tors. eta vs tors. theta energy: -28.700
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: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -524.019064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.019064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.019064 (E_RNA)
where:
Base-Base interactions energy: -305.061
where: short stacking energy: -154.243
Base-Backbone interact. energy: 0.839
local terms energy: -219.797202
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -58.882
flat angles C4'-P-C4' energy: -51.063
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -30.878
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: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -437.172523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.172523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.172523 (E_RNA)
where:
Base-Base interactions energy: -243.222
where: short stacking energy: -150.462
Base-Backbone interact. energy: 1.611
local terms energy: -195.562034
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -45.340
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -23.307
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: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1152.766842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.766842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.766842 (E_RNA)
where:
Base-Base interactions energy: -815.536
where: short stacking energy: -344.113
Base-Backbone interact. energy: -2.459
local terms energy: -334.771827
where:
bonds (distance) C4'-P energy: -67.249
bonds (distance) P-C4' energy: -63.792
flat angles C4'-P-C4' energy: -71.234
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -92.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1054.900935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.900935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.900935 (E_RNA)
where:
Base-Base interactions energy: -720.465
where: short stacking energy: -296.085
Base-Backbone interact. energy: -3.000
local terms energy: -331.436161
where:
bonds (distance) C4'-P energy: -61.078
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -72.498
flat angles P-C4'-P energy: -50.556
tors. eta vs tors. theta energy: -89.734
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: 367
Temperature: 1.000000
Total energy: -1019.131793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.131793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.131793 (E_RNA)
where:
Base-Base interactions energy: -721.203
where: short stacking energy: -314.509
Base-Backbone interact. energy: -0.118
local terms energy: -297.810625
where:
bonds (distance) C4'-P energy: -53.224
bonds (distance) P-C4' energy: -50.707
flat angles C4'-P-C4' energy: -68.196
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -90.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1000.717567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.717567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.717567 (E_RNA)
where:
Base-Base interactions energy: -687.364
where: short stacking energy: -322.547
Base-Backbone interact. energy: -0.662
local terms energy: -312.691385
where:
bonds (distance) C4'-P energy: -62.186
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -64.266
flat angles P-C4'-P energy: -37.878
tors. eta vs tors. theta energy: -97.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -967.698725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.698725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.698725 (E_RNA)
where:
Base-Base interactions energy: -687.193
where: short stacking energy: -273.710
Base-Backbone interact. energy: -0.827
local terms energy: -279.679265
where:
bonds (distance) C4'-P energy: -54.653
bonds (distance) P-C4' energy: -49.635
flat angles C4'-P-C4' energy: -70.972
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -67.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -851.869838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.869838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.869838 (E_RNA)
where:
Base-Base interactions energy: -567.409
where: short stacking energy: -246.857
Base-Backbone interact. energy: -0.666
local terms energy: -283.795405
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -46.306
flat angles C4'-P-C4' energy: -70.035
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -74.189
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -800.954123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.954123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.954123 (E_RNA)
where:
Base-Base interactions energy: -563.376
where: short stacking energy: -228.378
Base-Backbone interact. energy: 6.005
local terms energy: -243.582869
where:
bonds (distance) C4'-P energy: -43.444
bonds (distance) P-C4' energy: -59.145
flat angles C4'-P-C4' energy: -50.954
flat angles P-C4'-P energy: -37.043
tors. eta vs tors. theta energy: -52.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -611.233034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.233034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.233034 (E_RNA)
where:
Base-Base interactions energy: -382.996
where: short stacking energy: -193.410
Base-Backbone interact. energy: -0.450
local terms energy: -227.786407
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -51.391
flat angles C4'-P-C4' energy: -47.197
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: -44.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -522.635619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.635619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.635619 (E_RNA)
where:
Base-Base interactions energy: -318.473
where: short stacking energy: -147.216
Base-Backbone interact. energy: 2.139
local terms energy: -206.301630
where:
bonds (distance) C4'-P energy: -42.251
bonds (distance) P-C4' energy: -56.071
flat angles C4'-P-C4' energy: -48.673
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -33.827
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: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -396.834736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.834736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.834736 (E_RNA)
where:
Base-Base interactions energy: -210.848
where: short stacking energy: -129.841
Base-Backbone interact. energy: -0.962
local terms energy: -185.025300
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -49.528
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: -15.072
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: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1148.601130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.601130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.601130 (E_RNA)
where:
Base-Base interactions energy: -821.045
where: short stacking energy: -347.440
Base-Backbone interact. energy: -1.792
local terms energy: -325.764441
where:
bonds (distance) C4'-P energy: -58.034
bonds (distance) P-C4' energy: -61.755
flat angles C4'-P-C4' energy: -67.298
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -98.628
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: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1054.527552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.527552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.527552 (E_RNA)
where:
Base-Base interactions energy: -733.295
where: short stacking energy: -317.980
Base-Backbone interact. energy: -1.039
local terms energy: -320.193948
where:
bonds (distance) C4'-P energy: -50.884
bonds (distance) P-C4' energy: -56.986
flat angles C4'-P-C4' energy: -68.039
flat angles P-C4'-P energy: -51.242
tors. eta vs tors. theta energy: -93.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1044.370558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.370558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.370558 (E_RNA)
where:
Base-Base interactions energy: -714.622
where: short stacking energy: -318.195
Base-Backbone interact. energy: -0.285
local terms energy: -329.463474
where:
bonds (distance) C4'-P energy: -62.746
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -69.063
flat angles P-C4'-P energy: -47.160
tors. eta vs tors. theta energy: -98.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -997.303785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.303785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.303785 (E_RNA)
where:
Base-Base interactions energy: -701.894
where: short stacking energy: -308.664
Base-Backbone interact. energy: -0.381
local terms energy: -295.029203
where:
bonds (distance) C4'-P energy: -54.334
bonds (distance) P-C4' energy: -47.658
flat angles C4'-P-C4' energy: -73.509
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -86.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -974.048136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.048136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.048136 (E_RNA)
where:
Base-Base interactions energy: -679.543
where: short stacking energy: -274.696
Base-Backbone interact. energy: 0.166
local terms energy: -294.670807
where:
bonds (distance) C4'-P energy: -57.377
bonds (distance) P-C4' energy: -52.845
flat angles C4'-P-C4' energy: -64.225
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -74.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -859.370770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.370770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.370770 (E_RNA)
where:
Base-Base interactions energy: -591.372
where: short stacking energy: -254.739
Base-Backbone interact. energy: -0.997
local terms energy: -267.001234
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -51.360
flat angles C4'-P-C4' energy: -59.691
flat angles P-C4'-P energy: -39.390
tors. eta vs tors. theta energy: -70.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -808.305090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.305090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.305090 (E_RNA)
where:
Base-Base interactions energy: -555.282
where: short stacking energy: -247.658
Base-Backbone interact. energy: -1.435
local terms energy: -251.587842
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -61.559
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -62.653
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: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -610.668831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.668831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.668831 (E_RNA)
where:
Base-Base interactions energy: -380.422
where: short stacking energy: -166.962
Base-Backbone interact. energy: -0.486
local terms energy: -229.760593
where:
bonds (distance) C4'-P energy: -60.384
bonds (distance) P-C4' energy: -56.717
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -32.575
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -422.024161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.024161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.024161 (E_RNA)
where:
Base-Base interactions energy: -219.832
where: short stacking energy: -117.902
Base-Backbone interact. energy: 1.674
local terms energy: -203.866615
where:
bonds (distance) C4'-P energy: -58.284
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -48.605
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -15.236
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: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -553.871132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.871132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.871132 (E_RNA)
where:
Base-Base interactions energy: -347.993
where: short stacking energy: -185.768
Base-Backbone interact. energy: 0.636
local terms energy: -206.514779
where:
bonds (distance) C4'-P energy: -51.657
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -53.676
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -30.942
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: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1128.590196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.590196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.590196 (E_RNA)
where:
Base-Base interactions energy: -799.137
where: short stacking energy: -323.492
Base-Backbone interact. energy: -1.793
local terms energy: -327.659530
where:
bonds (distance) C4'-P energy: -60.669
bonds (distance) P-C4' energy: -67.808
flat angles C4'-P-C4' energy: -66.785
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -88.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1049.225007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.225007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.225007 (E_RNA)
where:
Base-Base interactions energy: -725.188
where: short stacking energy: -305.564
Base-Backbone interact. energy: -1.071
local terms energy: -322.966319
where:
bonds (distance) C4'-P energy: -57.587
bonds (distance) P-C4' energy: -62.029
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -45.288
tors. eta vs tors. theta energy: -89.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1055.164780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.164780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.164780 (E_RNA)
where:
Base-Base interactions energy: -729.435
where: short stacking energy: -339.652
Base-Backbone interact. energy: -0.788
local terms energy: -324.941675
where:
bonds (distance) C4'-P energy: -63.362
bonds (distance) P-C4' energy: -58.459
flat angles C4'-P-C4' energy: -62.821
flat angles P-C4'-P energy: -42.770
tors. eta vs tors. theta energy: -97.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -996.884173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.884173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.884173 (E_RNA)
where:
Base-Base interactions energy: -686.929
where: short stacking energy: -298.839
Base-Backbone interact. energy: -1.145
local terms energy: -308.811068
where:
bonds (distance) C4'-P energy: -51.743
bonds (distance) P-C4' energy: -66.713
flat angles C4'-P-C4' energy: -65.291
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -84.471
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: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -966.911639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.911639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.911639 (E_RNA)
where:
Base-Base interactions energy: -675.723
where: short stacking energy: -264.765
Base-Backbone interact. energy: 0.743
local terms energy: -291.930684
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -56.914
flat angles C4'-P-C4' energy: -65.339
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -66.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -847.936701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.936701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.936701 (E_RNA)
where:
Base-Base interactions energy: -570.127
where: short stacking energy: -251.535
Base-Backbone interact. energy: 0.390
local terms energy: -278.199221
where:
bonds (distance) C4'-P energy: -53.570
bonds (distance) P-C4' energy: -61.879
flat angles C4'-P-C4' energy: -55.147
flat angles P-C4'-P energy: -38.581
tors. eta vs tors. theta energy: -69.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -857.459423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.459423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.459423 (E_RNA)
where:
Base-Base interactions energy: -599.205
where: short stacking energy: -271.549
Base-Backbone interact. energy: -0.385
local terms energy: -257.870143
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -57.709
flat angles C4'-P-C4' energy: -51.921
flat angles P-C4'-P energy: -30.411
tors. eta vs tors. theta energy: -63.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -631.847704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.847704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.847704 (E_RNA)
where:
Base-Base interactions energy: -396.483
where: short stacking energy: -192.729
Base-Backbone interact. energy: -1.701
local terms energy: -233.663659
where:
bonds (distance) C4'-P energy: -49.498
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -57.236
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: -42.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -442.964462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.964462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.964462 (E_RNA)
where:
Base-Base interactions energy: -252.423
where: short stacking energy: -121.515
Base-Backbone interact. energy: -0.599
local terms energy: -189.942476
where:
bonds (distance) C4'-P energy: -40.810
bonds (distance) P-C4' energy: -61.568
flat angles C4'-P-C4' energy: -46.748
flat angles P-C4'-P energy: -34.223
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: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -545.548261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.548261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.548261 (E_RNA)
where:
Base-Base interactions energy: -327.779
where: short stacking energy: -164.382
Base-Backbone interact. energy: 2.054
local terms energy: -219.822979
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -57.578
flat angles C4'-P-C4' energy: -48.583
flat angles P-C4'-P energy: -32.645
tors. eta vs tors. theta energy: -28.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1132.844182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.844182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.844182 (E_RNA)
where:
Base-Base interactions energy: -792.667
where: short stacking energy: -335.903
Base-Backbone interact. energy: -0.283
local terms energy: -339.894381
where:
bonds (distance) C4'-P energy: -64.852
bonds (distance) P-C4' energy: -65.996
flat angles C4'-P-C4' energy: -68.331
flat angles P-C4'-P energy: -46.346
tors. eta vs tors. theta energy: -94.369
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1076.732259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.732259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.732259 (E_RNA)
where:
Base-Base interactions energy: -752.739
where: short stacking energy: -321.436
Base-Backbone interact. energy: 0.255
local terms energy: -324.247889
where:
bonds (distance) C4'-P energy: -58.861
bonds (distance) P-C4' energy: -60.422
flat angles C4'-P-C4' energy: -71.852
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -93.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1009.938028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.938028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.938028 (E_RNA)
where:
Base-Base interactions energy: -698.739
where: short stacking energy: -309.960
Base-Backbone interact. energy: -0.593
local terms energy: -310.606089
where:
bonds (distance) C4'-P energy: -56.643
bonds (distance) P-C4' energy: -65.945
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -42.118
tors. eta vs tors. theta energy: -87.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -986.096733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.096733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.096733 (E_RNA)
where:
Base-Base interactions energy: -684.474
where: short stacking energy: -319.471
Base-Backbone interact. energy: -0.800
local terms energy: -300.821832
where:
bonds (distance) C4'-P energy: -57.951
bonds (distance) P-C4' energy: -48.823
flat angles C4'-P-C4' energy: -68.851
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -88.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -957.146409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.146409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.146409 (E_RNA)
where:
Base-Base interactions energy: -666.663
where: short stacking energy: -271.961
Base-Backbone interact. energy: -2.068
local terms energy: -288.415168
where:
bonds (distance) C4'-P energy: -63.024
bonds (distance) P-C4' energy: -61.008
flat angles C4'-P-C4' energy: -61.446
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -68.171
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: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -830.416407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.416407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.416407 (E_RNA)
where:
Base-Base interactions energy: -567.621
where: short stacking energy: -243.757
Base-Backbone interact. energy: -0.339
local terms energy: -262.456773
where:
bonds (distance) C4'-P energy: -42.474
bonds (distance) P-C4' energy: -47.815
flat angles C4'-P-C4' energy: -65.903
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -65.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -831.261039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.261039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.261039 (E_RNA)
where:
Base-Base interactions energy: -563.044
where: short stacking energy: -228.486
Base-Backbone interact. energy: -0.950
local terms energy: -267.267889
where:
bonds (distance) C4'-P energy: -51.357
bonds (distance) P-C4' energy: -59.018
flat angles C4'-P-C4' energy: -52.454
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -60.779
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: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -622.601918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.601918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.601918 (E_RNA)
where:
Base-Base interactions energy: -416.768
where: short stacking energy: -169.151
Base-Backbone interact. energy: 0.474
local terms energy: -206.307415
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -37.999
flat angles C4'-P-C4' energy: -55.656
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -29.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -552.304943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.304943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.304943 (E_RNA)
where:
Base-Base interactions energy: -343.501
where: short stacking energy: -164.478
Base-Backbone interact. energy: 1.456
local terms energy: -210.259832
where:
bonds (distance) C4'-P energy: -52.722
bonds (distance) P-C4' energy: -58.543
flat angles C4'-P-C4' energy: -42.225
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -31.415
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: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -427.604836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.604836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.604836 (E_RNA)
where:
Base-Base interactions energy: -228.867
where: short stacking energy: -131.893
Base-Backbone interact. energy: 1.288
local terms energy: -200.026646
where:
bonds (distance) C4'-P energy: -54.303
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1133.569098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.569098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.569098 (E_RNA)
where:
Base-Base interactions energy: -799.155
where: short stacking energy: -348.874
Base-Backbone interact. energy: -3.068
local terms energy: -331.345249
where:
bonds (distance) C4'-P energy: -55.179
bonds (distance) P-C4' energy: -62.479
flat angles C4'-P-C4' energy: -72.016
flat angles P-C4'-P energy: -48.635
tors. eta vs tors. theta energy: -93.036
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: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1046.661499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.661499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.661499 (E_RNA)
where:
Base-Base interactions energy: -744.600
where: short stacking energy: -324.237
Base-Backbone interact. energy: -0.668
local terms energy: -301.393287
where:
bonds (distance) C4'-P energy: -43.210
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -67.400
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -93.186
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: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1047.661783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.661783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.661783 (E_RNA)
where:
Base-Base interactions energy: -725.206
where: short stacking energy: -315.811
Base-Backbone interact. energy: -1.139
local terms energy: -321.316770
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -69.896
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -92.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -973.491565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.491565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.491565 (E_RNA)
where:
Base-Base interactions energy: -678.950
where: short stacking energy: -276.642
Base-Backbone interact. energy: 0.666
local terms energy: -295.207090
where:
bonds (distance) C4'-P energy: -59.504
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -63.834
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -71.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -988.935728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.935728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.935728 (E_RNA)
where:
Base-Base interactions energy: -680.146
where: short stacking energy: -296.909
Base-Backbone interact. energy: -3.689
local terms energy: -305.100598
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -56.016
flat angles C4'-P-C4' energy: -63.308
flat angles P-C4'-P energy: -47.498
tors. eta vs tors. theta energy: -87.124
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: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -856.223687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.223687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.223687 (E_RNA)
where:
Base-Base interactions energy: -568.029
where: short stacking energy: -251.911
Base-Backbone interact. energy: 0.065
local terms energy: -288.260293
where:
bonds (distance) C4'-P energy: -63.801
bonds (distance) P-C4' energy: -53.797
flat angles C4'-P-C4' energy: -53.440
flat angles P-C4'-P energy: -52.217
tors. eta vs tors. theta energy: -65.006
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: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -831.219091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.219091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.219091 (E_RNA)
where:
Base-Base interactions energy: -552.335
where: short stacking energy: -261.547
Base-Backbone interact. energy: 0.705
local terms energy: -279.589381
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -61.560
flat angles C4'-P-C4' energy: -60.288
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: -74.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -684.534896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.534896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.534896 (E_RNA)
where:
Base-Base interactions energy: -447.844
where: short stacking energy: -206.831
Base-Backbone interact. energy: -1.496
local terms energy: -235.194842
where:
bonds (distance) C4'-P energy: -50.438
bonds (distance) P-C4' energy: -59.641
flat angles C4'-P-C4' energy: -52.548
flat angles P-C4'-P energy: -28.122
tors. eta vs tors. theta energy: -44.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -576.442839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.442839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.442839 (E_RNA)
where:
Base-Base interactions energy: -359.093
where: short stacking energy: -185.703
Base-Backbone interact. energy: 6.810
local terms energy: -224.160001
where:
bonds (distance) C4'-P energy: -46.515
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -46.854
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: -39.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -421.293561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.293561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.293561 (E_RNA)
where:
Base-Base interactions energy: -220.770
where: short stacking energy: -120.171
Base-Backbone interact. energy: 1.718
local terms energy: -202.241464
where:
bonds (distance) C4'-P energy: -52.507
bonds (distance) P-C4' energy: -52.256
flat angles C4'-P-C4' energy: -47.351
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1117.612210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.612210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.612210 (E_RNA)
where:
Base-Base interactions energy: -790.873
where: short stacking energy: -333.594
Base-Backbone interact. energy: -1.822
local terms energy: -324.917031
where:
bonds (distance) C4'-P energy: -65.371
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -61.778
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -89.211
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: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1061.501822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.501822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.501822 (E_RNA)
where:
Base-Base interactions energy: -738.537
where: short stacking energy: -327.945
Base-Backbone interact. energy: 0.282
local terms energy: -323.246940
where:
bonds (distance) C4'-P energy: -55.903
bonds (distance) P-C4' energy: -58.709
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -38.611
tors. eta vs tors. theta energy: -95.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1038.755506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.755506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.755506 (E_RNA)
where:
Base-Base interactions energy: -713.357
where: short stacking energy: -291.477
Base-Backbone interact. energy: -4.318
local terms energy: -321.080733
where:
bonds (distance) C4'-P energy: -56.488
bonds (distance) P-C4' energy: -64.084
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -91.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -992.243190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.243190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.243190 (E_RNA)
where:
Base-Base interactions energy: -698.341
where: short stacking energy: -285.316
Base-Backbone interact. energy: -0.868
local terms energy: -293.034558
where:
bonds (distance) C4'-P energy: -58.157
bonds (distance) P-C4' energy: -53.632
flat angles C4'-P-C4' energy: -65.271
flat angles P-C4'-P energy: -47.233
tors. eta vs tors. theta energy: -68.742
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: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -954.043840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.043840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.043840 (E_RNA)
where:
Base-Base interactions energy: -657.969
where: short stacking energy: -301.058
Base-Backbone interact. energy: 0.233
local terms energy: -296.307580
where:
bonds (distance) C4'-P energy: -58.033
bonds (distance) P-C4' energy: -46.964
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -47.007
tors. eta vs tors. theta energy: -83.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -869.464763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.464763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.464763 (E_RNA)
where:
Base-Base interactions energy: -605.692
where: short stacking energy: -268.781
Base-Backbone interact. energy: -1.183
local terms energy: -262.590136
where:
bonds (distance) C4'-P energy: -45.089
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -57.160
flat angles P-C4'-P energy: -40.713
tors. eta vs tors. theta energy: -66.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -809.513426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.513426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.513426 (E_RNA)
where:
Base-Base interactions energy: -559.162
where: short stacking energy: -234.654
Base-Backbone interact. energy: 0.243
local terms energy: -250.594237
where:
bonds (distance) C4'-P energy: -58.878
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -62.001
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -58.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -695.182618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.182618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.182618 (E_RNA)
where:
Base-Base interactions energy: -463.248
where: short stacking energy: -199.673
Base-Backbone interact. energy: -0.904
local terms energy: -231.030975
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -57.221
flat angles C4'-P-C4' energy: -49.175
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -39.392
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: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -552.666699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.666699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.666699 (E_RNA)
where:
Base-Base interactions energy: -354.343
where: short stacking energy: -163.255
Base-Backbone interact. energy: -0.463
local terms energy: -197.860513
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -44.341
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -32.896
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: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -403.124024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.124024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.124024 (E_RNA)
where:
Base-Base interactions energy: -204.845
where: short stacking energy: -117.538
Base-Backbone interact. energy: 0.503
local terms energy: -198.782066
where:
bonds (distance) C4'-P energy: -48.037
bonds (distance) P-C4' energy: -61.169
flat angles C4'-P-C4' energy: -52.484
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1105.327731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.327731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.327731 (E_RNA)
where:
Base-Base interactions energy: -779.510
where: short stacking energy: -332.019
Base-Backbone interact. energy: -1.422
local terms energy: -324.395613
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -64.570
flat angles C4'-P-C4' energy: -71.845
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -89.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1047.165164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.165164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.165164 (E_RNA)
where:
Base-Base interactions energy: -725.916
where: short stacking energy: -307.292
Base-Backbone interact. energy: -0.225
local terms energy: -321.023710
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -58.677
flat angles C4'-P-C4' energy: -70.118
flat angles P-C4'-P energy: -47.146
tors. eta vs tors. theta energy: -83.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1017.290024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.290024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.290024 (E_RNA)
where:
Base-Base interactions energy: -707.368
where: short stacking energy: -297.931
Base-Backbone interact. energy: -1.226
local terms energy: -308.695284
where:
bonds (distance) C4'-P energy: -62.744
bonds (distance) P-C4' energy: -60.278
flat angles C4'-P-C4' energy: -59.301
flat angles P-C4'-P energy: -46.107
tors. eta vs tors. theta energy: -80.266
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: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1005.128084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.128084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.128084 (E_RNA)
where:
Base-Base interactions energy: -696.273
where: short stacking energy: -320.343
Base-Backbone interact. energy: -1.054
local terms energy: -307.800412
where:
bonds (distance) C4'-P energy: -59.779
bonds (distance) P-C4' energy: -45.308
flat angles C4'-P-C4' energy: -68.162
flat angles P-C4'-P energy: -42.489
tors. eta vs tors. theta energy: -92.062
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: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1003.635626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.635626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.635626 (E_RNA)
where:
Base-Base interactions energy: -709.470
where: short stacking energy: -287.128
Base-Backbone interact. energy: -3.848
local terms energy: -290.317899
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -54.860
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -38.206
tors. eta vs tors. theta energy: -75.668
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -870.006591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.006591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.006591 (E_RNA)
where:
Base-Base interactions energy: -601.575
where: short stacking energy: -258.477
Base-Backbone interact. energy: -1.519
local terms energy: -266.912580
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -57.767
flat angles C4'-P-C4' energy: -61.098
flat angles P-C4'-P energy: -37.629
tors. eta vs tors. theta energy: -61.840
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: 373
Temperature: 1.200000
Total energy: -778.648160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.648160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.648160 (E_RNA)
where:
Base-Base interactions energy: -541.646
where: short stacking energy: -224.767
Base-Backbone interact. energy: -0.858
local terms energy: -236.144373
where:
bonds (distance) C4'-P energy: -41.739
bonds (distance) P-C4' energy: -47.016
flat angles C4'-P-C4' energy: -54.010
flat angles P-C4'-P energy: -40.901
tors. eta vs tors. theta energy: -52.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -700.167014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.167014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.167014 (E_RNA)
where:
Base-Base interactions energy: -449.413
where: short stacking energy: -211.837
Base-Backbone interact. energy: -2.075
local terms energy: -248.678742
where:
bonds (distance) C4'-P energy: -59.129
bonds (distance) P-C4' energy: -57.683
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -45.819
tors. eta vs tors. theta energy: -47.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -573.474712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.474712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.474712 (E_RNA)
where:
Base-Base interactions energy: -333.403
where: short stacking energy: -192.474
Base-Backbone interact. energy: -1.082
local terms energy: -238.989594
where:
bonds (distance) C4'-P energy: -50.674
bonds (distance) P-C4' energy: -51.557
flat angles C4'-P-C4' energy: -60.074
flat angles P-C4'-P energy: -33.276
tors. eta vs tors. theta energy: -43.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -405.915592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.915592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.915592 (E_RNA)
where:
Base-Base interactions energy: -217.107
where: short stacking energy: -103.225
Base-Backbone interact. energy: -0.675
local terms energy: -188.133430
where:
bonds (distance) C4'-P energy: -50.289
bonds (distance) P-C4' energy: -45.494
flat angles C4'-P-C4' energy: -48.686
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1120.363256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.363256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.363256 (E_RNA)
where:
Base-Base interactions energy: -789.760
where: short stacking energy: -343.426
Base-Backbone interact. energy: -2.013
local terms energy: -328.590192
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -72.534
flat angles P-C4'-P energy: -50.833
tors. eta vs tors. theta energy: -94.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1048.920838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.920838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.920838 (E_RNA)
where:
Base-Base interactions energy: -723.486
where: short stacking energy: -310.353
Base-Backbone interact. energy: -1.605
local terms energy: -323.829970
where:
bonds (distance) C4'-P energy: -55.814
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -69.940
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: -93.386
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: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1038.317721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.317721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.317721 (E_RNA)
where:
Base-Base interactions energy: -726.809
where: short stacking energy: -304.819
Base-Backbone interact. energy: -2.075
local terms energy: -309.434062
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -60.012
flat angles C4'-P-C4' energy: -69.621
flat angles P-C4'-P energy: -41.106
tors. eta vs tors. theta energy: -91.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -991.997403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.997403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.997403 (E_RNA)
where:
Base-Base interactions energy: -686.432
where: short stacking energy: -288.574
Base-Backbone interact. energy: -0.879
local terms energy: -304.687093
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -87.479
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -983.011183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.011183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.011183 (E_RNA)
where:
Base-Base interactions energy: -678.496
where: short stacking energy: -271.790
Base-Backbone interact. energy: 2.940
local terms energy: -307.455118
where:
bonds (distance) C4'-P energy: -54.773
bonds (distance) P-C4' energy: -60.405
flat angles C4'-P-C4' energy: -67.501
flat angles P-C4'-P energy: -44.000
tors. eta vs tors. theta energy: -80.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -848.111701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.111701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.111701 (E_RNA)
where:
Base-Base interactions energy: -587.588
where: short stacking energy: -241.638
Base-Backbone interact. energy: -3.008
local terms energy: -257.516022
where:
bonds (distance) C4'-P energy: -61.111
bonds (distance) P-C4' energy: -46.526
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -57.322
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -805.093358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.093358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.093358 (E_RNA)
where:
Base-Base interactions energy: -551.975
where: short stacking energy: -249.148
Base-Backbone interact. energy: 0.451
local terms energy: -253.569980
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -52.604
flat angles C4'-P-C4' energy: -57.412
flat angles P-C4'-P energy: -32.387
tors. eta vs tors. theta energy: -59.878
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: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -712.804765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.804765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.804765 (E_RNA)
where:
Base-Base interactions energy: -486.384
where: short stacking energy: -215.775
Base-Backbone interact. energy: 2.099
local terms energy: -228.519063
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -45.255
flat angles P-C4'-P energy: -37.627
tors. eta vs tors. theta energy: -54.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -522.134440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.134440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.134440 (E_RNA)
where:
Base-Base interactions energy: -315.175
where: short stacking energy: -165.624
Base-Backbone interact. energy: 0.876
local terms energy: -207.836036
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -42.726
flat angles C4'-P-C4' energy: -47.824
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -392.661970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.661970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.661970 (E_RNA)
where:
Base-Base interactions energy: -197.085
where: short stacking energy: -117.496
Base-Backbone interact. energy: 0.638
local terms energy: -196.214857
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -50.285
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -3.540
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: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1131.631430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.631430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.631430 (E_RNA)
where:
Base-Base interactions energy: -796.177
where: short stacking energy: -339.091
Base-Backbone interact. energy: -1.659
local terms energy: -333.795722
where:
bonds (distance) C4'-P energy: -62.938
bonds (distance) P-C4' energy: -64.927
flat angles C4'-P-C4' energy: -69.800
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -98.150
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: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1076.613917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.613917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.613917 (E_RNA)
where:
Base-Base interactions energy: -755.090
where: short stacking energy: -336.173
Base-Backbone interact. energy: 0.364
local terms energy: -321.887259
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -62.119
flat angles C4'-P-C4' energy: -73.794
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: -94.093
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: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1019.746067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.746067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.746067 (E_RNA)
where:
Base-Base interactions energy: -716.438
where: short stacking energy: -308.392
Base-Backbone interact. energy: -1.499
local terms energy: -301.809139
where:
bonds (distance) C4'-P energy: -60.633
bonds (distance) P-C4' energy: -55.674
flat angles C4'-P-C4' energy: -59.783
flat angles P-C4'-P energy: -38.761
tors. eta vs tors. theta energy: -86.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1003.821989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.821989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.821989 (E_RNA)
where:
Base-Base interactions energy: -679.691
where: short stacking energy: -309.168
Base-Backbone interact. energy: 0.842
local terms energy: -324.973371
where:
bonds (distance) C4'-P energy: -55.403
bonds (distance) P-C4' energy: -64.856
flat angles C4'-P-C4' energy: -66.391
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -93.741
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: 375
Temperature: 1.100000
Total energy: -958.067398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.067398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.067398 (E_RNA)
where:
Base-Base interactions energy: -668.069
where: short stacking energy: -261.897
Base-Backbone interact. energy: -0.964
local terms energy: -289.034204
where:
bonds (distance) C4'-P energy: -59.887
bonds (distance) P-C4' energy: -60.389
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -42.669
tors. eta vs tors. theta energy: -68.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -876.208874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.208874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.208874 (E_RNA)
where:
Base-Base interactions energy: -611.872
where: short stacking energy: -263.009
Base-Backbone interact. energy: 3.006
local terms energy: -267.342661
where:
bonds (distance) C4'-P energy: -49.955
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -60.601
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: -68.171
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: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -806.809003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.809003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.809003 (E_RNA)
where:
Base-Base interactions energy: -553.184
where: short stacking energy: -244.656
Base-Backbone interact. energy: 0.483
local terms energy: -254.107764
where:
bonds (distance) C4'-P energy: -39.100
bonds (distance) P-C4' energy: -56.768
flat angles C4'-P-C4' energy: -63.723
flat angles P-C4'-P energy: -34.277
tors. eta vs tors. theta energy: -60.240
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: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -696.668509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.668509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.668509 (E_RNA)
where:
Base-Base interactions energy: -458.150
where: short stacking energy: -212.728
Base-Backbone interact. energy: 0.835
local terms energy: -239.353463
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -32.588
tors. eta vs tors. theta energy: -50.148
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: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -523.167753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.167753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.167753 (E_RNA)
where:
Base-Base interactions energy: -297.709
where: short stacking energy: -146.592
Base-Backbone interact. energy: -0.494
local terms energy: -224.965032
where:
bonds (distance) C4'-P energy: -59.474
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -33.262
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -435.046764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.046764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.046764 (E_RNA)
where:
Base-Base interactions energy: -236.099
where: short stacking energy: -127.040
Base-Backbone interact. energy: -1.907
local terms energy: -197.040988
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -58.667
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -33.189
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1127.996725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.996725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.996725 (E_RNA)
where:
Base-Base interactions energy: -819.171
where: short stacking energy: -343.026
Base-Backbone interact. energy: -0.857
local terms energy: -307.968621
where:
bonds (distance) C4'-P energy: -56.604
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -64.188
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: -94.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1064.279438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.279438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.279438 (E_RNA)
where:
Base-Base interactions energy: -751.078
where: short stacking energy: -329.738
Base-Backbone interact. energy: -1.522
local terms energy: -311.679530
where:
bonds (distance) C4'-P energy: -53.433
bonds (distance) P-C4' energy: -65.599
flat angles C4'-P-C4' energy: -65.072
flat angles P-C4'-P energy: -38.121
tors. eta vs tors. theta energy: -89.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1028.562419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.562419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.562419 (E_RNA)
where:
Base-Base interactions energy: -721.334
where: short stacking energy: -309.749
Base-Backbone interact. energy: -1.634
local terms energy: -305.594362
where:
bonds (distance) C4'-P energy: -54.878
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -64.196
flat angles P-C4'-P energy: -48.813
tors. eta vs tors. theta energy: -88.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -998.282622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.282622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.282622 (E_RNA)
where:
Base-Base interactions energy: -681.940
where: short stacking energy: -301.561
Base-Backbone interact. energy: -1.133
local terms energy: -315.209253
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -60.936
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -87.281
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -975.701880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.701880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.701880 (E_RNA)
where:
Base-Base interactions energy: -708.575
where: short stacking energy: -293.844
Base-Backbone interact. energy: -2.154
local terms energy: -264.972327
where:
bonds (distance) C4'-P energy: -51.269
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -59.673
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -67.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -881.580447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.580447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.580447 (E_RNA)
where:
Base-Base interactions energy: -606.351
where: short stacking energy: -266.682
Base-Backbone interact. energy: 0.270
local terms energy: -275.499342
where:
bonds (distance) C4'-P energy: -54.767
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -56.337
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -70.458
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: 376
Temperature: 1.200000
Total energy: -832.693631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.693631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.693631 (E_RNA)
where:
Base-Base interactions energy: -563.481
where: short stacking energy: -257.315
Base-Backbone interact. energy: -0.090
local terms energy: -269.121992
where:
bonds (distance) C4'-P energy: -46.526
bonds (distance) P-C4' energy: -51.007
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -70.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -701.284360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.284360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.284360 (E_RNA)
where:
Base-Base interactions energy: -452.012
where: short stacking energy: -207.828
Base-Backbone interact. energy: -1.486
local terms energy: -247.786181
where:
bonds (distance) C4'-P energy: -64.036
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -63.109
flat angles P-C4'-P energy: -37.596
tors. eta vs tors. theta energy: -42.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -467.552426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.552426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.552426 (E_RNA)
where:
Base-Base interactions energy: -250.735
where: short stacking energy: -145.550
Base-Backbone interact. energy: -1.117
local terms energy: -215.699831
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -46.642
flat angles P-C4'-P energy: -37.425
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -505.063073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.063073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.063073 (E_RNA)
where:
Base-Base interactions energy: -302.044
where: short stacking energy: -164.978
Base-Backbone interact. energy: 1.350
local terms energy: -204.369964
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -49.604
flat angles C4'-P-C4' energy: -43.309
flat angles P-C4'-P energy: -32.168
tors. eta vs tors. theta energy: -37.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1119.027020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.027020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.027020 (E_RNA)
where:
Base-Base interactions energy: -785.844
where: short stacking energy: -336.946
Base-Backbone interact. energy: -1.576
local terms energy: -331.606491
where:
bonds (distance) C4'-P energy: -54.026
bonds (distance) P-C4' energy: -64.658
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -49.839
tors. eta vs tors. theta energy: -92.755
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: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1083.964529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.964529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.964529 (E_RNA)
where:
Base-Base interactions energy: -746.167
where: short stacking energy: -331.675
Base-Backbone interact. energy: 0.389
local terms energy: -338.187121
where:
bonds (distance) C4'-P energy: -61.104
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -70.425
flat angles P-C4'-P energy: -48.427
tors. eta vs tors. theta energy: -92.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1010.473384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.473384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.473384 (E_RNA)
where:
Base-Base interactions energy: -712.152
where: short stacking energy: -311.279
Base-Backbone interact. energy: -0.679
local terms energy: -297.642121
where:
bonds (distance) C4'-P energy: -59.903
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -47.975
tors. eta vs tors. theta energy: -78.030
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: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -997.766060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.766060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.766060 (E_RNA)
where:
Base-Base interactions energy: -681.963
where: short stacking energy: -313.095
Base-Backbone interact. energy: -0.550
local terms energy: -315.253633
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -58.024
flat angles C4'-P-C4' energy: -70.140
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: -86.287
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: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -959.587637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.587637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.587637 (E_RNA)
where:
Base-Base interactions energy: -681.657
where: short stacking energy: -280.248
Base-Backbone interact. energy: -2.535
local terms energy: -275.394856
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -59.189
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -76.469
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: 377
Temperature: 1.150000
Total energy: -857.515298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.515298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.515298 (E_RNA)
where:
Base-Base interactions energy: -584.164
where: short stacking energy: -276.764
Base-Backbone interact. energy: -1.770
local terms energy: -271.581164
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -48.850
flat angles C4'-P-C4' energy: -60.340
flat angles P-C4'-P energy: -39.265
tors. eta vs tors. theta energy: -67.692
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: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -856.854859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.854859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.854859 (E_RNA)
where:
Base-Base interactions energy: -603.005
where: short stacking energy: -254.227
Base-Backbone interact. energy: -0.363
local terms energy: -253.486588
where:
bonds (distance) C4'-P energy: -64.673
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -56.223
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -56.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -704.545377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.545377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.545377 (E_RNA)
where:
Base-Base interactions energy: -455.055
where: short stacking energy: -209.058
Base-Backbone interact. energy: -0.330
local terms energy: -249.160564
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -60.709
flat angles C4'-P-C4' energy: -59.735
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -51.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -446.037584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.037584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.037584 (E_RNA)
where:
Base-Base interactions energy: -255.941
where: short stacking energy: -119.507
Base-Backbone interact. energy: -0.360
local terms energy: -189.736781
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -60.584
flat angles C4'-P-C4' energy: -54.873
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -490.310730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.310730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.310730 (E_RNA)
where:
Base-Base interactions energy: -316.376
where: short stacking energy: -162.892
Base-Backbone interact. energy: -1.975
local terms energy: -171.959386
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -46.051
flat angles C4'-P-C4' energy: -43.649
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1149.586717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.586717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.586717 (E_RNA)
where:
Base-Base interactions energy: -810.124
where: short stacking energy: -337.431
Base-Backbone interact. energy: -1.563
local terms energy: -337.899131
where:
bonds (distance) C4'-P energy: -60.283
bonds (distance) P-C4' energy: -58.834
flat angles C4'-P-C4' energy: -69.402
flat angles P-C4'-P energy: -50.407
tors. eta vs tors. theta energy: -98.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1078.576547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.576547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.576547 (E_RNA)
where:
Base-Base interactions energy: -756.480
where: short stacking energy: -336.324
Base-Backbone interact. energy: 0.073
local terms energy: -322.169468
where:
bonds (distance) C4'-P energy: -57.499
bonds (distance) P-C4' energy: -55.142
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -45.739
tors. eta vs tors. theta energy: -96.637
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: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1023.835138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.835138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.835138 (E_RNA)
where:
Base-Base interactions energy: -705.172
where: short stacking energy: -304.288
Base-Backbone interact. energy: -2.698
local terms energy: -315.964778
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -53.930
flat angles C4'-P-C4' energy: -65.976
flat angles P-C4'-P energy: -45.089
tors. eta vs tors. theta energy: -91.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -964.488824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.488824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.488824 (E_RNA)
where:
Base-Base interactions energy: -667.618
where: short stacking energy: -279.214
Base-Backbone interact. energy: -1.093
local terms energy: -295.778376
where:
bonds (distance) C4'-P energy: -58.298
bonds (distance) P-C4' energy: -53.158
flat angles C4'-P-C4' energy: -64.165
flat angles P-C4'-P energy: -44.222
tors. eta vs tors. theta energy: -75.934
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: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -960.821722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.821722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.821722 (E_RNA)
where:
Base-Base interactions energy: -696.906
where: short stacking energy: -254.714
Base-Backbone interact. energy: 1.144
local terms energy: -265.060037
where:
bonds (distance) C4'-P energy: -51.602
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -62.321
flat angles P-C4'-P energy: -47.713
tors. eta vs tors. theta energy: -63.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -855.044219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.044219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.044219 (E_RNA)
where:
Base-Base interactions energy: -595.062
where: short stacking energy: -255.006
Base-Backbone interact. energy: 0.471
local terms energy: -260.453023
where:
bonds (distance) C4'-P energy: -46.265
bonds (distance) P-C4' energy: -53.700
flat angles C4'-P-C4' energy: -64.246
flat angles P-C4'-P energy: -32.117
tors. eta vs tors. theta energy: -64.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -843.391854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.391854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.391854 (E_RNA)
where:
Base-Base interactions energy: -599.418
where: short stacking energy: -245.941
Base-Backbone interact. energy: 4.059
local terms energy: -248.032403
where:
bonds (distance) C4'-P energy: -43.894
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -55.321
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -52.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -737.244358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.244358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.244358 (E_RNA)
where:
Base-Base interactions energy: -494.662
where: short stacking energy: -227.081
Base-Backbone interact. energy: -0.345
local terms energy: -242.236727
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -62.066
flat angles C4'-P-C4' energy: -44.185
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -56.754
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: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -546.126375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.126375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.126375 (E_RNA)
where:
Base-Base interactions energy: -315.553
where: short stacking energy: -159.075
Base-Backbone interact. energy: -1.938
local terms energy: -228.635340
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -46.337
flat angles P-C4'-P energy: -38.156
tors. eta vs tors. theta energy: -37.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -424.912959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.912959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.912959 (E_RNA)
where:
Base-Base interactions energy: -248.328
where: short stacking energy: -133.276
Base-Backbone interact. energy: 0.556
local terms energy: -177.140181
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -42.273
flat angles C4'-P-C4' energy: -47.249
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -13.203
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: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1150.530930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.530930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.530930 (E_RNA)
where:
Base-Base interactions energy: -812.837
where: short stacking energy: -356.125
Base-Backbone interact. energy: -1.453
local terms energy: -336.240852
where:
bonds (distance) C4'-P energy: -65.335
bonds (distance) P-C4' energy: -53.862
flat angles C4'-P-C4' energy: -71.628
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -96.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1064.073478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.073478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.073478 (E_RNA)
where:
Base-Base interactions energy: -724.002
where: short stacking energy: -323.165
Base-Backbone interact. energy: -0.976
local terms energy: -339.096159
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -69.242
flat angles C4'-P-C4' energy: -71.994
flat angles P-C4'-P energy: -46.598
tors. eta vs tors. theta energy: -95.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1009.182882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.182882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.182882 (E_RNA)
where:
Base-Base interactions energy: -684.402
where: short stacking energy: -286.245
Base-Backbone interact. energy: -3.125
local terms energy: -321.656178
where:
bonds (distance) C4'-P energy: -59.542
bonds (distance) P-C4' energy: -64.110
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -44.591
tors. eta vs tors. theta energy: -90.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -996.889879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.889879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.889879 (E_RNA)
where:
Base-Base interactions energy: -699.908
where: short stacking energy: -294.729
Base-Backbone interact. energy: -2.568
local terms energy: -294.413815
where:
bonds (distance) C4'-P energy: -56.552
bonds (distance) P-C4' energy: -61.944
flat angles C4'-P-C4' energy: -63.647
flat angles P-C4'-P energy: -40.708
tors. eta vs tors. theta energy: -71.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -980.288133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.288133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.288133 (E_RNA)
where:
Base-Base interactions energy: -644.222
where: short stacking energy: -288.115
Base-Backbone interact. energy: -1.489
local terms energy: -334.577021
where:
bonds (distance) C4'-P energy: -63.524
bonds (distance) P-C4' energy: -63.958
flat angles C4'-P-C4' energy: -68.363
flat angles P-C4'-P energy: -44.565
tors. eta vs tors. theta energy: -94.167
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -866.067790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.067790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.067790 (E_RNA)
where:
Base-Base interactions energy: -608.080
where: short stacking energy: -274.610
Base-Backbone interact. energy: -0.801
local terms energy: -257.186426
where:
bonds (distance) C4'-P energy: -46.739
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -65.079
flat angles P-C4'-P energy: -27.804
tors. eta vs tors. theta energy: -71.922
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: 379
Temperature: 1.200000
Total energy: -835.418614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.418614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.418614 (E_RNA)
where:
Base-Base interactions energy: -569.347
where: short stacking energy: -254.226
Base-Backbone interact. energy: -1.314
local terms energy: -264.757941
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -49.739
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -65.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -740.371873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.371873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.371873 (E_RNA)
where:
Base-Base interactions energy: -485.661
where: short stacking energy: -226.999
Base-Backbone interact. energy: 1.393
local terms energy: -256.104510
where:
bonds (distance) C4'-P energy: -60.228
bonds (distance) P-C4' energy: -50.642
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -34.028
tors. eta vs tors. theta energy: -56.468
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: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -558.771998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.771998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.771998 (E_RNA)
where:
Base-Base interactions energy: -351.712
where: short stacking energy: -175.118
Base-Backbone interact. energy: -0.193
local terms energy: -206.867184
where:
bonds (distance) C4'-P energy: -39.016
bonds (distance) P-C4' energy: -54.217
flat angles C4'-P-C4' energy: -56.277
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -32.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -427.555988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.555988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.555988 (E_RNA)
where:
Base-Base interactions energy: -236.260
where: short stacking energy: -134.804
Base-Backbone interact. energy: 3.194
local terms energy: -194.490221
where:
bonds (distance) C4'-P energy: -50.917
bonds (distance) P-C4' energy: -52.703
flat angles C4'-P-C4' energy: -37.934
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -19.454
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: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1131.079704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.079704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.079704 (E_RNA)
where:
Base-Base interactions energy: -810.677
where: short stacking energy: -352.948
Base-Backbone interact. energy: 0.608
local terms energy: -321.010745
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -60.957
flat angles C4'-P-C4' energy: -72.205
flat angles P-C4'-P energy: -38.571
tors. eta vs tors. theta energy: -95.336
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1076.488146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.488146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.488146 (E_RNA)
where:
Base-Base interactions energy: -741.534
where: short stacking energy: -334.804
Base-Backbone interact. energy: -1.860
local terms energy: -333.094900
where:
bonds (distance) C4'-P energy: -61.526
bonds (distance) P-C4' energy: -69.322
flat angles C4'-P-C4' energy: -64.629
flat angles P-C4'-P energy: -39.243
tors. eta vs tors. theta energy: -98.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1033.678195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.678195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.678195 (E_RNA)
where:
Base-Base interactions energy: -731.269
where: short stacking energy: -286.869
Base-Backbone interact. energy: -2.411
local terms energy: -299.998452
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -58.310
flat angles C4'-P-C4' energy: -64.134
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -79.183
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: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -976.280419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.280419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.280419 (E_RNA)
where:
Base-Base interactions energy: -669.023
where: short stacking energy: -283.111
Base-Backbone interact. energy: -1.553
local terms energy: -305.705116
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -61.530
flat angles C4'-P-C4' energy: -62.250
flat angles P-C4'-P energy: -46.695
tors. eta vs tors. theta energy: -83.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -966.871278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.871278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.871278 (E_RNA)
where:
Base-Base interactions energy: -673.401
where: short stacking energy: -300.765
Base-Backbone interact. energy: -1.694
local terms energy: -291.777075
where:
bonds (distance) C4'-P energy: -53.365
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -62.095
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -88.211
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -873.678697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.678697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.678697 (E_RNA)
where:
Base-Base interactions energy: -593.415
where: short stacking energy: -260.779
Base-Backbone interact. energy: -2.763
local terms energy: -277.500691
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -57.873
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -63.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -810.336926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.336926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.336926 (E_RNA)
where:
Base-Base interactions energy: -543.362
where: short stacking energy: -234.470
Base-Backbone interact. energy: -1.017
local terms energy: -265.958162
where:
bonds (distance) C4'-P energy: -52.831
bonds (distance) P-C4' energy: -60.172
flat angles C4'-P-C4' energy: -66.861
flat angles P-C4'-P energy: -32.368
tors. eta vs tors. theta energy: -53.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -707.233471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.233471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.233471 (E_RNA)
where:
Base-Base interactions energy: -462.532
where: short stacking energy: -207.407
Base-Backbone interact. energy: 0.921
local terms energy: -245.622868
where:
bonds (distance) C4'-P energy: -51.164
bonds (distance) P-C4' energy: -48.160
flat angles C4'-P-C4' energy: -58.681
flat angles P-C4'-P energy: -34.311
tors. eta vs tors. theta energy: -53.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -536.421461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.421461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.421461 (E_RNA)
where:
Base-Base interactions energy: -312.431
where: short stacking energy: -157.752
Base-Backbone interact. energy: 0.963
local terms energy: -224.953459
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -51.351
flat angles C4'-P-C4' energy: -60.452
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -30.707
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: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -454.170328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.170328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.170328 (E_RNA)
where:
Base-Base interactions energy: -270.955
where: short stacking energy: -128.981
Base-Backbone interact. energy: -0.662
local terms energy: -182.552809
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -60.348
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -35.712
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1138.522922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.522922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.522922 (E_RNA)
where:
Base-Base interactions energy: -801.997
where: short stacking energy: -324.673
Base-Backbone interact. energy: -2.275
local terms energy: -334.251374
where:
bonds (distance) C4'-P energy: -64.140
bonds (distance) P-C4' energy: -58.857
flat angles C4'-P-C4' energy: -67.900
flat angles P-C4'-P energy: -50.740
tors. eta vs tors. theta energy: -92.613
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: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1074.100854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.100854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.100854 (E_RNA)
where:
Base-Base interactions energy: -762.061
where: short stacking energy: -340.209
Base-Backbone interact. energy: -1.797
local terms energy: -310.242372
where:
bonds (distance) C4'-P energy: -55.386
bonds (distance) P-C4' energy: -53.854
flat angles C4'-P-C4' energy: -65.234
flat angles P-C4'-P energy: -41.738
tors. eta vs tors. theta energy: -94.030
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: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1029.832517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.832517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.832517 (E_RNA)
where:
Base-Base interactions energy: -723.308
where: short stacking energy: -299.707
Base-Backbone interact. energy: -0.596
local terms energy: -305.928346
where:
bonds (distance) C4'-P energy: -55.599
bonds (distance) P-C4' energy: -65.851
flat angles C4'-P-C4' energy: -66.769
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -82.939
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: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -987.470965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.470965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.470965 (E_RNA)
where:
Base-Base interactions energy: -695.627
where: short stacking energy: -294.995
Base-Backbone interact. energy: -0.721
local terms energy: -291.123542
where:
bonds (distance) C4'-P energy: -50.441
bonds (distance) P-C4' energy: -52.539
flat angles C4'-P-C4' energy: -61.068
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -84.734
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: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -954.677846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.677846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.677846 (E_RNA)
where:
Base-Base interactions energy: -642.383
where: short stacking energy: -285.720
Base-Backbone interact. energy: -1.325
local terms energy: -310.970188
where:
bonds (distance) C4'-P energy: -55.551
bonds (distance) P-C4' energy: -67.687
flat angles C4'-P-C4' energy: -57.762
flat angles P-C4'-P energy: -45.556
tors. eta vs tors. theta energy: -84.414
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: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -892.914048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.914048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.914048 (E_RNA)
where:
Base-Base interactions energy: -618.262
where: short stacking energy: -262.970
Base-Backbone interact. energy: -1.344
local terms energy: -273.307952
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -63.173
flat angles C4'-P-C4' energy: -56.545
flat angles P-C4'-P energy: -45.394
tors. eta vs tors. theta energy: -65.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -826.919521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.919521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.919521 (E_RNA)
where:
Base-Base interactions energy: -537.496
where: short stacking energy: -238.339
Base-Backbone interact. energy: -0.571
local terms energy: -288.852267
where:
bonds (distance) C4'-P energy: -58.994
bonds (distance) P-C4' energy: -51.254
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -70.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -706.339870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.339870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.339870 (E_RNA)
where:
Base-Base interactions energy: -485.575
where: short stacking energy: -222.731
Base-Backbone interact. energy: -0.985
local terms energy: -219.779843
where:
bonds (distance) C4'-P energy: -50.459
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -45.704
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -46.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -543.696746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.696746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.696746 (E_RNA)
where:
Base-Base interactions energy: -334.127
where: short stacking energy: -157.577
Base-Backbone interact. energy: -1.594
local terms energy: -207.975984
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -62.653
flat angles C4'-P-C4' energy: -44.437
flat angles P-C4'-P energy: -27.395
tors. eta vs tors. theta energy: -26.132
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: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -467.871490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.871490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.871490 (E_RNA)
where:
Base-Base interactions energy: -251.218
where: short stacking energy: -132.406
Base-Backbone interact. energy: 4.286
local terms energy: -220.940317
where:
bonds (distance) C4'-P energy: -50.370
bonds (distance) P-C4' energy: -47.042
flat angles C4'-P-C4' energy: -61.358
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -37.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1133.690742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.690742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.690742 (E_RNA)
where:
Base-Base interactions energy: -803.592
where: short stacking energy: -323.501
Base-Backbone interact. energy: -2.760
local terms energy: -327.338942
where:
bonds (distance) C4'-P energy: -59.505
bonds (distance) P-C4' energy: -61.117
flat angles C4'-P-C4' energy: -71.179
flat angles P-C4'-P energy: -46.004
tors. eta vs tors. theta energy: -89.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1091.711092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.711092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.711092 (E_RNA)
where:
Base-Base interactions energy: -760.338
where: short stacking energy: -340.117
Base-Backbone interact. energy: -0.906
local terms energy: -330.467170
where:
bonds (distance) C4'-P energy: -55.678
bonds (distance) P-C4' energy: -61.572
flat angles C4'-P-C4' energy: -73.903
flat angles P-C4'-P energy: -44.574
tors. eta vs tors. theta energy: -94.739
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: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1028.044124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.044124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.044124 (E_RNA)
where:
Base-Base interactions energy: -712.866
where: short stacking energy: -299.491
Base-Backbone interact. energy: -1.678
local terms energy: -313.500541
where:
bonds (distance) C4'-P energy: -61.632
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -69.547
flat angles P-C4'-P energy: -47.153
tors. eta vs tors. theta energy: -75.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -994.278319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.278319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.278319 (E_RNA)
where:
Base-Base interactions energy: -671.969
where: short stacking energy: -288.089
Base-Backbone interact. energy: -0.755
local terms energy: -321.553483
where:
bonds (distance) C4'-P energy: -60.709
bonds (distance) P-C4' energy: -58.936
flat angles C4'-P-C4' energy: -66.305
flat angles P-C4'-P energy: -44.755
tors. eta vs tors. theta energy: -90.849
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: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -939.140869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.140869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.140869 (E_RNA)
where:
Base-Base interactions energy: -647.489
where: short stacking energy: -293.867
Base-Backbone interact. energy: 0.601
local terms energy: -292.252678
where:
bonds (distance) C4'-P energy: -49.681
bonds (distance) P-C4' energy: -49.928
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -85.702
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -887.789666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.789666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.789666 (E_RNA)
where:
Base-Base interactions energy: -593.665
where: short stacking energy: -254.729
Base-Backbone interact. energy: -1.418
local terms energy: -292.707131
where:
bonds (distance) C4'-P energy: -58.139
bonds (distance) P-C4' energy: -60.116
flat angles C4'-P-C4' energy: -64.446
flat angles P-C4'-P energy: -37.642
tors. eta vs tors. theta energy: -72.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -838.988431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.988431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.988431 (E_RNA)
where:
Base-Base interactions energy: -566.176
where: short stacking energy: -269.283
Base-Backbone interact. energy: 2.401
local terms energy: -275.213027
where:
bonds (distance) C4'-P energy: -37.672
bonds (distance) P-C4' energy: -58.133
flat angles C4'-P-C4' energy: -68.526
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -68.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -711.792014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.792014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.792014 (E_RNA)
where:
Base-Base interactions energy: -464.344
where: short stacking energy: -210.500
Base-Backbone interact. energy: -0.403
local terms energy: -247.044957
where:
bonds (distance) C4'-P energy: -56.341
bonds (distance) P-C4' energy: -58.498
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -47.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -501.349242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.349242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.349242 (E_RNA)
where:
Base-Base interactions energy: -290.994
where: short stacking energy: -145.601
Base-Backbone interact. energy: -0.477
local terms energy: -209.878865
where:
bonds (distance) C4'-P energy: -57.572
bonds (distance) P-C4' energy: -58.408
flat angles C4'-P-C4' energy: -53.520
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -442.582174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.582174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.582174 (E_RNA)
where:
Base-Base interactions energy: -259.866
where: short stacking energy: -142.488
Base-Backbone interact. energy: -0.929
local terms energy: -181.787216
where:
bonds (distance) C4'-P energy: -53.348
bonds (distance) P-C4' energy: -41.659
flat angles C4'-P-C4' energy: -42.817
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: -16.494
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: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1138.117438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.117438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.117438 (E_RNA)
where:
Base-Base interactions energy: -797.109
where: short stacking energy: -331.099
Base-Backbone interact. energy: -1.287
local terms energy: -339.721451
where:
bonds (distance) C4'-P energy: -63.725
bonds (distance) P-C4' energy: -67.502
flat angles C4'-P-C4' energy: -70.072
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -96.785
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: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1083.671601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.671601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.671601 (E_RNA)
where:
Base-Base interactions energy: -757.410
where: short stacking energy: -333.215
Base-Backbone interact. energy: -0.146
local terms energy: -326.115728
where:
bonds (distance) C4'-P energy: -51.187
bonds (distance) P-C4' energy: -66.865
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -94.418
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: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1004.373893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.373893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.373893 (E_RNA)
where:
Base-Base interactions energy: -710.535
where: short stacking energy: -289.229
Base-Backbone interact. energy: -0.003
local terms energy: -293.836443
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -58.959
flat angles P-C4'-P energy: -49.721
tors. eta vs tors. theta energy: -73.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -989.741464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.741464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.741464 (E_RNA)
where:
Base-Base interactions energy: -675.377
where: short stacking energy: -301.145
Base-Backbone interact. energy: -0.881
local terms energy: -313.483196
where:
bonds (distance) C4'-P energy: -60.778
bonds (distance) P-C4' energy: -52.369
flat angles C4'-P-C4' energy: -67.082
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -92.124
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: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -937.397994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.397994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.397994 (E_RNA)
where:
Base-Base interactions energy: -636.416
where: short stacking energy: -286.421
Base-Backbone interact. energy: -0.608
local terms energy: -300.374135
where:
bonds (distance) C4'-P energy: -57.424
bonds (distance) P-C4' energy: -58.095
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -38.608
tors. eta vs tors. theta energy: -83.653
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: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -856.859604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.859604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.859604 (E_RNA)
where:
Base-Base interactions energy: -590.657
where: short stacking energy: -264.430
Base-Backbone interact. energy: -0.441
local terms energy: -265.761394
where:
bonds (distance) C4'-P energy: -42.386
bonds (distance) P-C4' energy: -49.593
flat angles C4'-P-C4' energy: -65.854
flat angles P-C4'-P energy: -36.201
tors. eta vs tors. theta energy: -71.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -849.173795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.173795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.173795 (E_RNA)
where:
Base-Base interactions energy: -581.722
where: short stacking energy: -269.495
Base-Backbone interact. energy: -1.872
local terms energy: -265.579369
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -38.860
tors. eta vs tors. theta energy: -74.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -712.831695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.831695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.831695 (E_RNA)
where:
Base-Base interactions energy: -464.957
where: short stacking energy: -216.670
Base-Backbone interact. energy: -0.608
local terms energy: -247.266832
where:
bonds (distance) C4'-P energy: -51.527
bonds (distance) P-C4' energy: -44.508
flat angles C4'-P-C4' energy: -54.878
flat angles P-C4'-P energy: -41.925
tors. eta vs tors. theta energy: -54.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -475.879814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.879814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.879814 (E_RNA)
where:
Base-Base interactions energy: -286.478
where: short stacking energy: -134.716
Base-Backbone interact. energy: 0.928
local terms energy: -190.330234
where:
bonds (distance) C4'-P energy: -48.004
bonds (distance) P-C4' energy: -52.372
flat angles C4'-P-C4' energy: -36.809
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -439.174095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.174095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.174095 (E_RNA)
where:
Base-Base interactions energy: -263.661
where: short stacking energy: -157.181
Base-Backbone interact. energy: -1.273
local terms energy: -174.240069
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -43.890
flat angles C4'-P-C4' energy: -46.362
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -20.184
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: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1128.879619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.879619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.879619 (E_RNA)
where:
Base-Base interactions energy: -807.068
where: short stacking energy: -340.348
Base-Backbone interact. energy: -3.537
local terms energy: -318.274602
where:
bonds (distance) C4'-P energy: -62.785
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -93.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1079.570138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.570138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.570138 (E_RNA)
where:
Base-Base interactions energy: -751.209
where: short stacking energy: -343.612
Base-Backbone interact. energy: -0.832
local terms energy: -327.529176
where:
bonds (distance) C4'-P energy: -57.362
bonds (distance) P-C4' energy: -64.772
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -36.253
tors. eta vs tors. theta energy: -96.101
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: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1003.569013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.569013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.569013 (E_RNA)
where:
Base-Base interactions energy: -709.102
where: short stacking energy: -275.971
Base-Backbone interact. energy: -0.947
local terms energy: -293.520328
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -66.686
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -68.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1012.230729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.230729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.230729 (E_RNA)
where:
Base-Base interactions energy: -713.474
where: short stacking energy: -317.036
Base-Backbone interact. energy: -0.107
local terms energy: -298.650151
where:
bonds (distance) C4'-P energy: -50.934
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -73.275
flat angles P-C4'-P energy: -46.296
tors. eta vs tors. theta energy: -86.241
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: 384
Temperature: 1.100000
Total energy: -969.730212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.730212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.730212 (E_RNA)
where:
Base-Base interactions energy: -671.379
where: short stacking energy: -309.486
Base-Backbone interact. energy: -0.032
local terms energy: -298.318977
where:
bonds (distance) C4'-P energy: -46.669
bonds (distance) P-C4' energy: -52.145
flat angles C4'-P-C4' energy: -63.703
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -88.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -873.105931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.105931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.105931 (E_RNA)
where:
Base-Base interactions energy: -597.666
where: short stacking energy: -261.003
Base-Backbone interact. energy: -1.788
local terms energy: -273.651837
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -56.499
flat angles C4'-P-C4' energy: -64.262
flat angles P-C4'-P energy: -31.548
tors. eta vs tors. theta energy: -69.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -834.168367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.168367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.168367 (E_RNA)
where:
Base-Base interactions energy: -565.896
where: short stacking energy: -256.411
Base-Backbone interact. energy: -1.922
local terms energy: -266.350666
where:
bonds (distance) C4'-P energy: -50.188
bonds (distance) P-C4' energy: -60.725
flat angles C4'-P-C4' energy: -59.187
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -64.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -716.378530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.378530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.378530 (E_RNA)
where:
Base-Base interactions energy: -488.055
where: short stacking energy: -221.565
Base-Backbone interact. energy: 0.302
local terms energy: -228.624648
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -43.463
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -40.018
tors. eta vs tors. theta energy: -45.540
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: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -510.024862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.024862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.024862 (E_RNA)
where:
Base-Base interactions energy: -324.286
where: short stacking energy: -145.455
Base-Backbone interact. energy: -1.278
local terms energy: -184.461137
where:
bonds (distance) C4'-P energy: -44.422
bonds (distance) P-C4' energy: -48.751
flat angles C4'-P-C4' energy: -51.507
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -409.954869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.954869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.954869 (E_RNA)
where:
Base-Base interactions energy: -242.175
where: short stacking energy: -110.166
Base-Backbone interact. energy: -0.425
local terms energy: -167.354994
where:
bonds (distance) C4'-P energy: -51.684
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1150.985713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.985713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.985713 (E_RNA)
where:
Base-Base interactions energy: -819.363
where: short stacking energy: -342.534
Base-Backbone interact. energy: -1.208
local terms energy: -330.414863
where:
bonds (distance) C4'-P energy: -60.867
bonds (distance) P-C4' energy: -51.917
flat angles C4'-P-C4' energy: -71.840
flat angles P-C4'-P energy: -47.989
tors. eta vs tors. theta energy: -97.802
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: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1073.354140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.354140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.354140 (E_RNA)
where:
Base-Base interactions energy: -752.232
where: short stacking energy: -337.300
Base-Backbone interact. energy: -0.693
local terms energy: -320.429296
where:
bonds (distance) C4'-P energy: -59.185
bonds (distance) P-C4' energy: -60.156
flat angles C4'-P-C4' energy: -69.027
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -89.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1031.483412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.483412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.483412 (E_RNA)
where:
Base-Base interactions energy: -734.236
where: short stacking energy: -297.262
Base-Backbone interact. energy: -2.211
local terms energy: -295.036581
where:
bonds (distance) C4'-P energy: -54.299
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -64.630
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: -78.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -987.112964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.112964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.112964 (E_RNA)
where:
Base-Base interactions energy: -669.141
where: short stacking energy: -292.939
Base-Backbone interact. energy: -2.791
local terms energy: -315.181330
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -64.128
flat angles C4'-P-C4' energy: -67.154
flat angles P-C4'-P energy: -51.767
tors. eta vs tors. theta energy: -87.677
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: 385
Temperature: 1.100000
Total energy: -953.631776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.631776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.631776 (E_RNA)
where:
Base-Base interactions energy: -663.842
where: short stacking energy: -293.447
Base-Backbone interact. energy: -0.244
local terms energy: -289.545502
where:
bonds (distance) C4'-P energy: -51.581
bonds (distance) P-C4' energy: -49.654
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -38.942
tors. eta vs tors. theta energy: -92.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -883.625353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.625353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.625353 (E_RNA)
where:
Base-Base interactions energy: -606.903
where: short stacking energy: -276.496
Base-Backbone interact. energy: -0.386
local terms energy: -276.336268
where:
bonds (distance) C4'-P energy: -51.204
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -54.684
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -74.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -834.830202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.830202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.830202 (E_RNA)
where:
Base-Base interactions energy: -574.563
where: short stacking energy: -247.048
Base-Backbone interact. energy: -1.374
local terms energy: -258.893470
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -42.444
flat angles C4'-P-C4' energy: -61.851
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -57.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -705.421767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.421767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.421767 (E_RNA)
where:
Base-Base interactions energy: -468.024
where: short stacking energy: -208.910
Base-Backbone interact. energy: 2.298
local terms energy: -239.695199
where:
bonds (distance) C4'-P energy: -51.561
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -48.176
flat angles P-C4'-P energy: -42.506
tors. eta vs tors. theta energy: -44.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -483.414114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.414114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.414114 (E_RNA)
where:
Base-Base interactions energy: -305.786
where: short stacking energy: -138.567
Base-Backbone interact. energy: -2.100
local terms energy: -175.527972
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -52.846
flat angles C4'-P-C4' energy: -42.256
flat angles P-C4'-P energy: -20.723
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: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -421.552308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.552308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.552308 (E_RNA)
where:
Base-Base interactions energy: -218.845
where: short stacking energy: -128.209
Base-Backbone interact. energy: 0.592
local terms energy: -203.298912
where:
bonds (distance) C4'-P energy: -36.797
bonds (distance) P-C4' energy: -62.788
flat angles C4'-P-C4' energy: -61.127
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1148.069454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.069454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.069454 (E_RNA)
where:
Base-Base interactions energy: -791.948
where: short stacking energy: -333.345
Base-Backbone interact. energy: -2.376
local terms energy: -353.746316
where:
bonds (distance) C4'-P energy: -66.515
bonds (distance) P-C4' energy: -68.246
flat angles C4'-P-C4' energy: -69.527
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -99.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1079.876002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.876002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.876002 (E_RNA)
where:
Base-Base interactions energy: -758.119
where: short stacking energy: -336.768
Base-Backbone interact. energy: 0.262
local terms energy: -322.018854
where:
bonds (distance) C4'-P energy: -52.237
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -68.081
flat angles P-C4'-P energy: -42.757
tors. eta vs tors. theta energy: -97.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1026.082471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.082471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.082471 (E_RNA)
where:
Base-Base interactions energy: -733.689
where: short stacking energy: -300.676
Base-Backbone interact. energy: 0.798
local terms energy: -293.190757
where:
bonds (distance) C4'-P energy: -54.937
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -46.436
tors. eta vs tors. theta energy: -73.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1013.155249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.155249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.155249 (E_RNA)
where:
Base-Base interactions energy: -708.120
where: short stacking energy: -314.437
Base-Backbone interact. energy: -1.006
local terms energy: -304.028877
where:
bonds (distance) C4'-P energy: -59.193
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -72.080
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -94.398
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: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -959.693248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.693248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.693248 (E_RNA)
where:
Base-Base interactions energy: -645.114
where: short stacking energy: -289.513
Base-Backbone interact. energy: -1.957
local terms energy: -312.622183
where:
bonds (distance) C4'-P energy: -52.398
bonds (distance) P-C4' energy: -53.366
flat angles C4'-P-C4' energy: -71.246
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: -88.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -914.261204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.261204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.261204 (E_RNA)
where:
Base-Base interactions energy: -632.455
where: short stacking energy: -295.456
Base-Backbone interact. energy: 0.106
local terms energy: -281.912275
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -45.713
flat angles C4'-P-C4' energy: -66.661
flat angles P-C4'-P energy: -31.186
tors. eta vs tors. theta energy: -81.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -846.183931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.183931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.183931 (E_RNA)
where:
Base-Base interactions energy: -580.864
where: short stacking energy: -250.306
Base-Backbone interact. energy: -0.604
local terms energy: -264.715502
where:
bonds (distance) C4'-P energy: -56.789
bonds (distance) P-C4' energy: -49.656
flat angles C4'-P-C4' energy: -57.424
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -62.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -753.652342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.652342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.652342 (E_RNA)
where:
Base-Base interactions energy: -513.233
where: short stacking energy: -232.913
Base-Backbone interact. energy: 0.770
local terms energy: -241.188493
where:
bonds (distance) C4'-P energy: -57.795
bonds (distance) P-C4' energy: -44.308
flat angles C4'-P-C4' energy: -52.177
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -52.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -522.197780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.197780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.197780 (E_RNA)
where:
Base-Base interactions energy: -307.660
where: short stacking energy: -156.105
Base-Backbone interact. energy: -0.652
local terms energy: -213.885634
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -50.636
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -23.595
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: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -438.304935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.304935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.304935 (E_RNA)
where:
Base-Base interactions energy: -250.688
where: short stacking energy: -141.690
Base-Backbone interact. energy: -0.501
local terms energy: -187.116691
where:
bonds (distance) C4'-P energy: -52.936
bonds (distance) P-C4' energy: -48.206
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -18.608
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: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1147.334989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.334989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.334989 (E_RNA)
where:
Base-Base interactions energy: -818.423
where: short stacking energy: -343.785
Base-Backbone interact. energy: -0.371
local terms energy: -328.540969
where:
bonds (distance) C4'-P energy: -54.938
bonds (distance) P-C4' energy: -60.489
flat angles C4'-P-C4' energy: -69.716
flat angles P-C4'-P energy: -41.644
tors. eta vs tors. theta energy: -101.754
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: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1064.245999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.245999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.245999 (E_RNA)
where:
Base-Base interactions energy: -757.354
where: short stacking energy: -335.643
Base-Backbone interact. energy: -1.013
local terms energy: -305.879274
where:
bonds (distance) C4'-P energy: -52.026
bonds (distance) P-C4' energy: -55.360
flat angles C4'-P-C4' energy: -63.459
flat angles P-C4'-P energy: -44.521
tors. eta vs tors. theta energy: -90.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1004.503113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.503113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.503113 (E_RNA)
where:
Base-Base interactions energy: -702.937
where: short stacking energy: -292.968
Base-Backbone interact. energy: -2.381
local terms energy: -299.184840
where:
bonds (distance) C4'-P energy: -58.530
bonds (distance) P-C4' energy: -53.021
flat angles C4'-P-C4' energy: -66.881
flat angles P-C4'-P energy: -45.838
tors. eta vs tors. theta energy: -74.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1003.924502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.924502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.924502 (E_RNA)
where:
Base-Base interactions energy: -696.998
where: short stacking energy: -299.369
Base-Backbone interact. energy: 0.203
local terms energy: -307.129364
where:
bonds (distance) C4'-P energy: -62.257
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -67.235
flat angles P-C4'-P energy: -42.077
tors. eta vs tors. theta energy: -83.286
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: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -970.099140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.099140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.099140 (E_RNA)
where:
Base-Base interactions energy: -666.865
where: short stacking energy: -293.030
Base-Backbone interact. energy: -0.931
local terms energy: -302.303846
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -63.735
flat angles C4'-P-C4' energy: -66.271
flat angles P-C4'-P energy: -38.878
tors. eta vs tors. theta energy: -85.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -877.462696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.462696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.462696 (E_RNA)
where:
Base-Base interactions energy: -601.512
where: short stacking energy: -265.871
Base-Backbone interact. energy: -0.414
local terms energy: -275.536328
where:
bonds (distance) C4'-P energy: -46.572
bonds (distance) P-C4' energy: -53.241
flat angles C4'-P-C4' energy: -55.758
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -74.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -835.872828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.872828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.872828 (E_RNA)
where:
Base-Base interactions energy: -558.934
where: short stacking energy: -243.756
Base-Backbone interact. energy: -1.300
local terms energy: -275.638786
where:
bonds (distance) C4'-P energy: -52.456
bonds (distance) P-C4' energy: -61.127
flat angles C4'-P-C4' energy: -52.986
flat angles P-C4'-P energy: -42.619
tors. eta vs tors. theta energy: -66.451
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: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -749.776017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.776017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.776017 (E_RNA)
where:
Base-Base interactions energy: -499.399
where: short stacking energy: -222.018
Base-Backbone interact. energy: -0.075
local terms energy: -250.301956
where:
bonds (distance) C4'-P energy: -53.250
bonds (distance) P-C4' energy: -58.851
flat angles C4'-P-C4' energy: -49.738
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -45.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -451.970807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.970807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.970807 (E_RNA)
where:
Base-Base interactions energy: -258.952
where: short stacking energy: -133.369
Base-Backbone interact. energy: -0.263
local terms energy: -192.756228
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -48.883
flat angles C4'-P-C4' energy: -44.487
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -447.274737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.274737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.274737 (E_RNA)
where:
Base-Base interactions energy: -276.067
where: short stacking energy: -126.356
Base-Backbone interact. energy: 0.485
local terms energy: -171.693186
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -41.161
flat angles C4'-P-C4' energy: -45.170
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1140.662993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.662993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.662993 (E_RNA)
where:
Base-Base interactions energy: -806.633
where: short stacking energy: -332.643
Base-Backbone interact. energy: -0.846
local terms energy: -333.184137
where:
bonds (distance) C4'-P energy: -64.674
bonds (distance) P-C4' energy: -59.591
flat angles C4'-P-C4' energy: -68.419
flat angles P-C4'-P energy: -46.533
tors. eta vs tors. theta energy: -93.966
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: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1062.017693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.017693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.017693 (E_RNA)
where:
Base-Base interactions energy: -733.509
where: short stacking energy: -342.784
Base-Backbone interact. energy: 0.513
local terms energy: -329.020927
where:
bonds (distance) C4'-P energy: -62.271
bonds (distance) P-C4' energy: -52.478
flat angles C4'-P-C4' energy: -75.226
flat angles P-C4'-P energy: -43.511
tors. eta vs tors. theta energy: -95.535
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: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1019.238305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.238305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.238305 (E_RNA)
where:
Base-Base interactions energy: -704.653
where: short stacking energy: -307.628
Base-Backbone interact. energy: -1.429
local terms energy: -313.156262
where:
bonds (distance) C4'-P energy: -57.354
bonds (distance) P-C4' energy: -63.072
flat angles C4'-P-C4' energy: -65.929
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -86.980
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -996.220359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.220359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.220359 (E_RNA)
where:
Base-Base interactions energy: -709.223
where: short stacking energy: -284.476
Base-Backbone interact. energy: -1.625
local terms energy: -285.372312
where:
bonds (distance) C4'-P energy: -60.138
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -64.344
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -71.849
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: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -984.971075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.971075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.971075 (E_RNA)
where:
Base-Base interactions energy: -683.176
where: short stacking energy: -307.102
Base-Backbone interact. energy: -1.053
local terms energy: -300.741677
where:
bonds (distance) C4'-P energy: -53.693
bonds (distance) P-C4' energy: -47.764
flat angles C4'-P-C4' energy: -68.880
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -91.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -912.064255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.064255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.064255 (E_RNA)
where:
Base-Base interactions energy: -619.901
where: short stacking energy: -268.383
Base-Backbone interact. energy: -0.821
local terms energy: -291.342099
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -58.378
flat angles C4'-P-C4' energy: -65.505
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -77.623
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: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -847.144246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.144246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.144246 (E_RNA)
where:
Base-Base interactions energy: -589.928
where: short stacking energy: -268.717
Base-Backbone interact. energy: 0.049
local terms energy: -257.264376
where:
bonds (distance) C4'-P energy: -56.257
bonds (distance) P-C4' energy: -44.870
flat angles C4'-P-C4' energy: -52.749
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -72.079
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: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -746.227400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.227400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.227400 (E_RNA)
where:
Base-Base interactions energy: -497.761
where: short stacking energy: -228.199
Base-Backbone interact. energy: 0.355
local terms energy: -248.821959
where:
bonds (distance) C4'-P energy: -54.512
bonds (distance) P-C4' energy: -59.151
flat angles C4'-P-C4' energy: -47.454
flat angles P-C4'-P energy: -39.912
tors. eta vs tors. theta energy: -47.792
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: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -480.595362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.595362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.595362 (E_RNA)
where:
Base-Base interactions energy: -276.654
where: short stacking energy: -146.559
Base-Backbone interact. energy: -0.921
local terms energy: -203.020453
where:
bonds (distance) C4'-P energy: -59.681
bonds (distance) P-C4' energy: -51.742
flat angles C4'-P-C4' energy: -44.671
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -19.575
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: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -421.176906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.176906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.176906 (E_RNA)
where:
Base-Base interactions energy: -236.574
where: short stacking energy: -127.795
Base-Backbone interact. energy: 2.124
local terms energy: -186.727162
where:
bonds (distance) C4'-P energy: -52.581
bonds (distance) P-C4' energy: -46.465
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1135.983877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.983877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.983877 (E_RNA)
where:
Base-Base interactions energy: -802.625
where: short stacking energy: -333.278
Base-Backbone interact. energy: -1.861
local terms energy: -331.497634
where:
bonds (distance) C4'-P energy: -63.092
bonds (distance) P-C4' energy: -63.706
flat angles C4'-P-C4' energy: -71.332
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -93.443
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: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1075.153153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.153153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.153153 (E_RNA)
where:
Base-Base interactions energy: -736.173
where: short stacking energy: -326.139
Base-Backbone interact. energy: 0.285
local terms energy: -339.265409
where:
bonds (distance) C4'-P energy: -62.545
bonds (distance) P-C4' energy: -61.152
flat angles C4'-P-C4' energy: -70.021
flat angles P-C4'-P energy: -51.755
tors. eta vs tors. theta energy: -93.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1009.127473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.127473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.127473 (E_RNA)
where:
Base-Base interactions energy: -705.782
where: short stacking energy: -312.704
Base-Backbone interact. energy: -0.534
local terms energy: -302.811950
where:
bonds (distance) C4'-P energy: -50.793
bonds (distance) P-C4' energy: -51.024
flat angles C4'-P-C4' energy: -66.367
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -84.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -999.847666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.847666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.847666 (E_RNA)
where:
Base-Base interactions energy: -696.056
where: short stacking energy: -311.763
Base-Backbone interact. energy: -0.372
local terms energy: -303.420047
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -69.240
flat angles P-C4'-P energy: -43.899
tors. eta vs tors. theta energy: -92.419
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: 389
Temperature: 1.100000
Total energy: -943.619191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.619191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.619191 (E_RNA)
where:
Base-Base interactions energy: -675.399
where: short stacking energy: -275.322
Base-Backbone interact. energy: -1.518
local terms energy: -266.701794
where:
bonds (distance) C4'-P energy: -53.594
bonds (distance) P-C4' energy: -44.849
flat angles C4'-P-C4' energy: -64.301
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -68.665
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: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -906.718874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.718874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.718874 (E_RNA)
where:
Base-Base interactions energy: -616.511
where: short stacking energy: -268.175
Base-Backbone interact. energy: -3.848
local terms energy: -286.360709
where:
bonds (distance) C4'-P energy: -49.322
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -66.432
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -70.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -817.407140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.407140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.407140 (E_RNA)
where:
Base-Base interactions energy: -554.148
where: short stacking energy: -252.006
Base-Backbone interact. energy: -0.897
local terms energy: -262.361750
where:
bonds (distance) C4'-P energy: -56.745
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -58.190
flat angles P-C4'-P energy: -37.946
tors. eta vs tors. theta energy: -58.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -717.517881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.517881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.517881 (E_RNA)
where:
Base-Base interactions energy: -478.919
where: short stacking energy: -213.857
Base-Backbone interact. energy: -0.941
local terms energy: -237.658024
where:
bonds (distance) C4'-P energy: -49.745
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -37.020
tors. eta vs tors. theta energy: -49.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -480.950596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.950596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.950596 (E_RNA)
where:
Base-Base interactions energy: -274.294
where: short stacking energy: -139.367
Base-Backbone interact. energy: -0.615
local terms energy: -206.040744
where:
bonds (distance) C4'-P energy: -58.003
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -345.170828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.170828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.170828 (E_RNA)
where:
Base-Base interactions energy: -179.879
where: short stacking energy: -111.652
Base-Backbone interact. energy: -1.446
local terms energy: -163.845432
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -44.467
flat angles C4'-P-C4' energy: -37.416
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1143.602713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.602713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.602713 (E_RNA)
where:
Base-Base interactions energy: -808.156
where: short stacking energy: -333.011
Base-Backbone interact. energy: -1.851
local terms energy: -333.595917
where:
bonds (distance) C4'-P energy: -55.478
bonds (distance) P-C4' energy: -63.735
flat angles C4'-P-C4' energy: -72.451
flat angles P-C4'-P energy: -50.413
tors. eta vs tors. theta energy: -91.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1068.722981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.722981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.722981 (E_RNA)
where:
Base-Base interactions energy: -728.404
where: short stacking energy: -341.591
Base-Backbone interact. energy: -1.743
local terms energy: -338.576760
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -68.034
flat angles C4'-P-C4' energy: -71.322
flat angles P-C4'-P energy: -50.854
tors. eta vs tors. theta energy: -91.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1004.026085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.026085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.026085 (E_RNA)
where:
Base-Base interactions energy: -681.819
where: short stacking energy: -292.149
Base-Backbone interact. energy: -0.688
local terms energy: -321.518854
where:
bonds (distance) C4'-P energy: -60.542
bonds (distance) P-C4' energy: -62.364
flat angles C4'-P-C4' energy: -65.756
flat angles P-C4'-P energy: -43.225
tors. eta vs tors. theta energy: -89.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -982.433462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.433462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.433462 (E_RNA)
where:
Base-Base interactions energy: -677.283
where: short stacking energy: -288.566
Base-Backbone interact. energy: -1.887
local terms energy: -303.263377
where:
bonds (distance) C4'-P energy: -50.120
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -69.563
flat angles P-C4'-P energy: -43.639
tors. eta vs tors. theta energy: -87.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -947.975764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.975764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.975764 (E_RNA)
where:
Base-Base interactions energy: -646.757
where: short stacking energy: -284.691
Base-Backbone interact. energy: -0.050
local terms energy: -301.168134
where:
bonds (distance) C4'-P energy: -65.587
bonds (distance) P-C4' energy: -57.320
flat angles C4'-P-C4' energy: -67.249
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -81.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -911.412795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.412795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.412795 (E_RNA)
where:
Base-Base interactions energy: -629.347
where: short stacking energy: -247.074
Base-Backbone interact. energy: -1.791
local terms energy: -280.274894
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -59.453
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -47.813
tors. eta vs tors. theta energy: -63.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -831.031407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.031407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.031407 (E_RNA)
where:
Base-Base interactions energy: -581.042
where: short stacking energy: -254.054
Base-Backbone interact. energy: 0.053
local terms energy: -250.042427
where:
bonds (distance) C4'-P energy: -51.594
bonds (distance) P-C4' energy: -62.024
flat angles C4'-P-C4' energy: -47.534
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -58.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -722.760173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.760173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.760173 (E_RNA)
where:
Base-Base interactions energy: -500.150
where: short stacking energy: -222.632
Base-Backbone interact. energy: 1.581
local terms energy: -224.191006
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -39.241
tors. eta vs tors. theta energy: -41.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -477.002326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.002326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.002326 (E_RNA)
where:
Base-Base interactions energy: -276.207
where: short stacking energy: -152.298
Base-Backbone interact. energy: 3.885
local terms energy: -204.680365
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -58.209
flat angles C4'-P-C4' energy: -40.998
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -339.423242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.423242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.423242 (E_RNA)
where:
Base-Base interactions energy: -177.637
where: short stacking energy: -112.267
Base-Backbone interact. energy: -2.895
local terms energy: -158.891181
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -57.168
flat angles C4'-P-C4' energy: -41.038
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -8.185
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: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1163.935834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.935834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.935834 (E_RNA)
where:
Base-Base interactions energy: -816.151
where: short stacking energy: -342.222
Base-Backbone interact. energy: -2.742
local terms energy: -345.042275
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -64.776
flat angles C4'-P-C4' energy: -66.749
flat angles P-C4'-P energy: -51.412
tors. eta vs tors. theta energy: -97.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1061.768333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.768333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.768333 (E_RNA)
where:
Base-Base interactions energy: -738.606
where: short stacking energy: -333.344
Base-Backbone interact. energy: -1.408
local terms energy: -321.754127
where:
bonds (distance) C4'-P energy: -55.012
bonds (distance) P-C4' energy: -58.755
flat angles C4'-P-C4' energy: -68.977
flat angles P-C4'-P energy: -43.402
tors. eta vs tors. theta energy: -95.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1002.024812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.024812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.024812 (E_RNA)
where:
Base-Base interactions energy: -688.815
where: short stacking energy: -294.511
Base-Backbone interact. energy: -1.536
local terms energy: -311.674435
where:
bonds (distance) C4'-P energy: -48.443
bonds (distance) P-C4' energy: -60.086
flat angles C4'-P-C4' energy: -67.408
flat angles P-C4'-P energy: -46.883
tors. eta vs tors. theta energy: -88.854
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: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -983.411738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.411738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.411738 (E_RNA)
where:
Base-Base interactions energy: -672.207
where: short stacking energy: -301.622
Base-Backbone interact. energy: -2.425
local terms energy: -308.779568
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -54.335
flat angles C4'-P-C4' energy: -62.144
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -87.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -949.484280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.484280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.484280 (E_RNA)
where:
Base-Base interactions energy: -648.730
where: short stacking energy: -266.587
Base-Backbone interact. energy: -1.045
local terms energy: -299.708542
where:
bonds (distance) C4'-P energy: -63.328
bonds (distance) P-C4' energy: -60.206
flat angles C4'-P-C4' energy: -62.809
flat angles P-C4'-P energy: -39.963
tors. eta vs tors. theta energy: -73.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -930.012250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.012250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.012250 (E_RNA)
where:
Base-Base interactions energy: -656.309
where: short stacking energy: -260.005
Base-Backbone interact. energy: -1.735
local terms energy: -271.968390
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -60.381
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: -65.372
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: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -805.599857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.599857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.599857 (E_RNA)
where:
Base-Base interactions energy: -548.248
where: short stacking energy: -241.981
Base-Backbone interact. energy: -0.713
local terms energy: -256.638155
where:
bonds (distance) C4'-P energy: -55.523
bonds (distance) P-C4' energy: -39.817
flat angles C4'-P-C4' energy: -61.788
flat angles P-C4'-P energy: -35.994
tors. eta vs tors. theta energy: -63.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -726.763482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.763482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.763482 (E_RNA)
where:
Base-Base interactions energy: -471.657
where: short stacking energy: -214.616
Base-Backbone interact. energy: -0.450
local terms energy: -254.656702
where:
bonds (distance) C4'-P energy: -58.323
bonds (distance) P-C4' energy: -50.829
flat angles C4'-P-C4' energy: -61.451
flat angles P-C4'-P energy: -32.742
tors. eta vs tors. theta energy: -51.312
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: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -435.502281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.502281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.502281 (E_RNA)
where:
Base-Base interactions energy: -238.372
where: short stacking energy: -133.213
Base-Backbone interact. energy: 1.063
local terms energy: -198.192758
where:
bonds (distance) C4'-P energy: -53.804
bonds (distance) P-C4' energy: -58.636
flat angles C4'-P-C4' energy: -40.092
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -326.052418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.052418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.052418 (E_RNA)
where:
Base-Base interactions energy: -156.348
where: short stacking energy: -85.290
Base-Backbone interact. energy: 1.367
local terms energy: -171.071659
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -57.418
flat angles C4'-P-C4' energy: -50.659
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: 9.725
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: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1161.390682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.390682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.390682 (E_RNA)
where:
Base-Base interactions energy: -847.690
where: short stacking energy: -346.361
Base-Backbone interact. energy: -1.512
local terms energy: -312.188373
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -56.173
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -35.035
tors. eta vs tors. theta energy: -100.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1067.644767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.644767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.644767 (E_RNA)
where:
Base-Base interactions energy: -738.983
where: short stacking energy: -315.960
Base-Backbone interact. energy: -0.800
local terms energy: -327.861188
where:
bonds (distance) C4'-P energy: -64.228
bonds (distance) P-C4' energy: -55.344
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -91.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1008.806918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.806918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.806918 (E_RNA)
where:
Base-Base interactions energy: -687.941
where: short stacking energy: -290.423
Base-Backbone interact. energy: -1.597
local terms energy: -319.269305
where:
bonds (distance) C4'-P energy: -63.327
bonds (distance) P-C4' energy: -55.308
flat angles C4'-P-C4' energy: -72.317
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -84.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -981.823543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.823543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.823543 (E_RNA)
where:
Base-Base interactions energy: -679.665
where: short stacking energy: -308.997
Base-Backbone interact. energy: 1.388
local terms energy: -303.546539
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -64.312
flat angles C4'-P-C4' energy: -63.481
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -88.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -988.460671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.460671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.460671 (E_RNA)
where:
Base-Base interactions energy: -685.911
where: short stacking energy: -269.343
Base-Backbone interact. energy: -2.306
local terms energy: -300.243885
where:
bonds (distance) C4'-P energy: -63.802
bonds (distance) P-C4' energy: -58.017
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -35.781
tors. eta vs tors. theta energy: -76.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -864.170755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.170755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.170755 (E_RNA)
where:
Base-Base interactions energy: -594.107
where: short stacking energy: -262.265
Base-Backbone interact. energy: -0.866
local terms energy: -269.197826
where:
bonds (distance) C4'-P energy: -54.981
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -57.592
flat angles P-C4'-P energy: -32.247
tors. eta vs tors. theta energy: -74.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -804.425317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.425317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.425317 (E_RNA)
where:
Base-Base interactions energy: -543.574
where: short stacking energy: -246.080
Base-Backbone interact. energy: 0.619
local terms energy: -261.470393
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -48.827
flat angles C4'-P-C4' energy: -63.019
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -52.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -702.742380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.742380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.742380 (E_RNA)
where:
Base-Base interactions energy: -455.151
where: short stacking energy: -209.975
Base-Backbone interact. energy: -0.837
local terms energy: -246.754058
where:
bonds (distance) C4'-P energy: -37.627
bonds (distance) P-C4' energy: -64.439
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -45.843
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: 392
Temperature: 1.300000
Total energy: -468.128568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.128568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.128568 (E_RNA)
where:
Base-Base interactions energy: -261.730
where: short stacking energy: -160.053
Base-Backbone interact. energy: -0.761
local terms energy: -205.636753
where:
bonds (distance) C4'-P energy: -59.358
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -44.969
flat angles P-C4'-P energy: -30.104
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: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -368.874258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.874258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.874258 (E_RNA)
where:
Base-Base interactions energy: -160.736
where: short stacking energy: -90.136
Base-Backbone interact. energy: -0.847
local terms energy: -207.292116
where:
bonds (distance) C4'-P energy: -56.930
bonds (distance) P-C4' energy: -62.046
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -35.430
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1152.761181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.761181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.761181 (E_RNA)
where:
Base-Base interactions energy: -820.407
where: short stacking energy: -335.183
Base-Backbone interact. energy: 1.636
local terms energy: -333.989807
where:
bonds (distance) C4'-P energy: -67.871
bonds (distance) P-C4' energy: -50.992
flat angles C4'-P-C4' energy: -69.727
flat angles P-C4'-P energy: -47.341
tors. eta vs tors. theta energy: -98.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1061.285591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.285591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.285591 (E_RNA)
where:
Base-Base interactions energy: -739.080
where: short stacking energy: -324.701
Base-Backbone interact. energy: -1.153
local terms energy: -321.052831
where:
bonds (distance) C4'-P energy: -52.060
bonds (distance) P-C4' energy: -60.806
flat angles C4'-P-C4' energy: -67.611
flat angles P-C4'-P energy: -41.543
tors. eta vs tors. theta energy: -99.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1013.095754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.095754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.095754 (E_RNA)
where:
Base-Base interactions energy: -696.754
where: short stacking energy: -274.734
Base-Backbone interact. energy: -3.581
local terms energy: -312.760800
where:
bonds (distance) C4'-P energy: -52.924
bonds (distance) P-C4' energy: -55.224
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -50.645
tors. eta vs tors. theta energy: -87.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -998.104862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.104862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.104862 (E_RNA)
where:
Base-Base interactions energy: -707.481
where: short stacking energy: -279.830
Base-Backbone interact. energy: -0.332
local terms energy: -290.292002
where:
bonds (distance) C4'-P energy: -60.410
bonds (distance) P-C4' energy: -55.204
flat angles C4'-P-C4' energy: -65.083
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -73.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -937.571786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.571786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.571786 (E_RNA)
where:
Base-Base interactions energy: -653.681
where: short stacking energy: -285.152
Base-Backbone interact. energy: -0.796
local terms energy: -283.095373
where:
bonds (distance) C4'-P energy: -42.022
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -89.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -824.410400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.410400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.410400 (E_RNA)
where:
Base-Base interactions energy: -553.412
where: short stacking energy: -249.567
Base-Backbone interact. energy: -0.217
local terms energy: -270.781638
where:
bonds (distance) C4'-P energy: -63.236
bonds (distance) P-C4' energy: -44.192
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -40.379
tors. eta vs tors. theta energy: -57.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -811.927620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.927620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.927620 (E_RNA)
where:
Base-Base interactions energy: -550.818
where: short stacking energy: -246.640
Base-Backbone interact. energy: 2.525
local terms energy: -263.634962
where:
bonds (distance) C4'-P energy: -48.793
bonds (distance) P-C4' energy: -54.239
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -41.562
tors. eta vs tors. theta energy: -62.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -691.965097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.965097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.965097 (E_RNA)
where:
Base-Base interactions energy: -475.172
where: short stacking energy: -204.246
Base-Backbone interact. energy: -0.480
local terms energy: -216.312522
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -45.037
flat angles C4'-P-C4' energy: -63.613
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -40.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -438.146331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.146331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.146331 (E_RNA)
where:
Base-Base interactions energy: -225.932
where: short stacking energy: -110.028
Base-Backbone interact. energy: 1.427
local terms energy: -213.640502
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -60.768
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -12.525
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: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -371.614588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.614588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.614588 (E_RNA)
where:
Base-Base interactions energy: -191.491
where: short stacking energy: -123.221
Base-Backbone interact. energy: 0.509
local terms energy: -180.632644
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1172.844790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.844790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.844790 (E_RNA)
where:
Base-Base interactions energy: -829.726
where: short stacking energy: -355.843
Base-Backbone interact. energy: -2.452
local terms energy: -340.666129
where:
bonds (distance) C4'-P energy: -65.343
bonds (distance) P-C4' energy: -64.348
flat angles C4'-P-C4' energy: -70.806
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -98.602
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: 394
Temperature: 0.950000
Total energy: -1066.140102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.140102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.140102 (E_RNA)
where:
Base-Base interactions energy: -748.940
where: short stacking energy: -335.127
Base-Backbone interact. energy: 2.215
local terms energy: -319.414445
where:
bonds (distance) C4'-P energy: -53.812
bonds (distance) P-C4' energy: -58.422
flat angles C4'-P-C4' energy: -61.181
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: -94.470
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: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1028.113944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.113944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.113944 (E_RNA)
where:
Base-Base interactions energy: -708.752
where: short stacking energy: -315.819
Base-Backbone interact. energy: -1.590
local terms energy: -317.771926
where:
bonds (distance) C4'-P energy: -63.663
bonds (distance) P-C4' energy: -47.174
flat angles C4'-P-C4' energy: -64.554
flat angles P-C4'-P energy: -51.070
tors. eta vs tors. theta energy: -91.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -965.449772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.449772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.449772 (E_RNA)
where:
Base-Base interactions energy: -677.441
where: short stacking energy: -254.486
Base-Backbone interact. energy: -1.320
local terms energy: -286.688573
where:
bonds (distance) C4'-P energy: -56.639
bonds (distance) P-C4' energy: -57.092
flat angles C4'-P-C4' energy: -69.575
flat angles P-C4'-P energy: -41.061
tors. eta vs tors. theta energy: -62.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -950.773867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.773867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.773867 (E_RNA)
where:
Base-Base interactions energy: -654.923
where: short stacking energy: -288.248
Base-Backbone interact. energy: 1.304
local terms energy: -297.155253
where:
bonds (distance) C4'-P energy: -55.916
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -63.201
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -87.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -805.764531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.764531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.764531 (E_RNA)
where:
Base-Base interactions energy: -545.236
where: short stacking energy: -236.146
Base-Backbone interact. energy: -1.079
local terms energy: -259.449045
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -64.009
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: -58.840
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: 394
Temperature: 1.200000
Total energy: -822.079409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.079409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.079409 (E_RNA)
where:
Base-Base interactions energy: -548.637
where: short stacking energy: -242.226
Base-Backbone interact. energy: -1.133
local terms energy: -272.309346
where:
bonds (distance) C4'-P energy: -52.746
bonds (distance) P-C4' energy: -51.511
flat angles C4'-P-C4' energy: -64.546
flat angles P-C4'-P energy: -35.783
tors. eta vs tors. theta energy: -67.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -729.987249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.987249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.987249 (E_RNA)
where:
Base-Base interactions energy: -483.444
where: short stacking energy: -189.851
Base-Backbone interact. energy: -1.136
local terms energy: -245.406693
where:
bonds (distance) C4'-P energy: -41.347
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -60.383
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -48.081
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: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -432.209968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.209968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.209968 (E_RNA)
where:
Base-Base interactions energy: -258.551
where: short stacking energy: -127.181
Base-Backbone interact. energy: -0.923
local terms energy: -172.736183
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -50.620
flat angles C4'-P-C4' energy: -53.672
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -10.328
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: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -379.990371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.990371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.990371 (E_RNA)
where:
Base-Base interactions energy: -202.767
where: short stacking energy: -98.628
Base-Backbone interact. energy: -2.034
local terms energy: -175.189631
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -35.971
tors. eta vs tors. theta energy: 5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1163.962060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.962060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.962060 (E_RNA)
where:
Base-Base interactions energy: -822.254
where: short stacking energy: -350.057
Base-Backbone interact. energy: -2.419
local terms energy: -339.289303
where:
bonds (distance) C4'-P energy: -57.136
bonds (distance) P-C4' energy: -68.499
flat angles C4'-P-C4' energy: -73.049
flat angles P-C4'-P energy: -43.442
tors. eta vs tors. theta energy: -97.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1049.440956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.440956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.440956 (E_RNA)
where:
Base-Base interactions energy: -721.865
where: short stacking energy: -315.019
Base-Backbone interact. energy: -0.996
local terms energy: -326.580769
where:
bonds (distance) C4'-P energy: -59.691
bonds (distance) P-C4' energy: -66.004
flat angles C4'-P-C4' energy: -68.554
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -92.086
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: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1024.743191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.743191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.743191 (E_RNA)
where:
Base-Base interactions energy: -703.618
where: short stacking energy: -296.187
Base-Backbone interact. energy: -0.395
local terms energy: -320.730539
where:
bonds (distance) C4'-P energy: -52.978
bonds (distance) P-C4' energy: -56.505
flat angles C4'-P-C4' energy: -67.391
flat angles P-C4'-P energy: -50.940
tors. eta vs tors. theta energy: -92.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -977.849754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.849754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.849754 (E_RNA)
where:
Base-Base interactions energy: -700.897
where: short stacking energy: -280.198
Base-Backbone interact. energy: -2.170
local terms energy: -274.783316
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -63.751
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -47.950
tors. eta vs tors. theta energy: -67.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -962.124893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.124893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.124893 (E_RNA)
where:
Base-Base interactions energy: -662.196
where: short stacking energy: -273.985
Base-Backbone interact. energy: -1.622
local terms energy: -298.307253
where:
bonds (distance) C4'-P energy: -58.902
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -68.927
flat angles P-C4'-P energy: -45.490
tors. eta vs tors. theta energy: -77.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -835.014327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.014327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.014327 (E_RNA)
where:
Base-Base interactions energy: -571.181
where: short stacking energy: -262.380
Base-Backbone interact. energy: -0.895
local terms energy: -262.937925
where:
bonds (distance) C4'-P energy: -45.280
bonds (distance) P-C4' energy: -47.988
flat angles C4'-P-C4' energy: -64.852
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: -63.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -768.088110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.088110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.088110 (E_RNA)
where:
Base-Base interactions energy: -521.980
where: short stacking energy: -217.135
Base-Backbone interact. energy: 4.807
local terms energy: -250.915771
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -51.118
flat angles C4'-P-C4' energy: -62.412
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: -45.473
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: 395
Temperature: 1.250000
Total energy: -778.407235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.407235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.407235 (E_RNA)
where:
Base-Base interactions energy: -521.299
where: short stacking energy: -231.120
Base-Backbone interact. energy: 6.267
local terms energy: -263.375383
where:
bonds (distance) C4'-P energy: -46.825
bonds (distance) P-C4' energy: -52.808
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -43.434
tors. eta vs tors. theta energy: -62.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -434.696959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.696959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.696959 (E_RNA)
where:
Base-Base interactions energy: -264.445
where: short stacking energy: -137.170
Base-Backbone interact. energy: 0.972
local terms energy: -171.223315
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -43.553
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -335.135785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.135785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.135785 (E_RNA)
where:
Base-Base interactions energy: -140.928
where: short stacking energy: -99.228
Base-Backbone interact. energy: 0.707
local terms energy: -194.914346
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -54.061
flat angles C4'-P-C4' energy: -55.439
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1172.863726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.863726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.863726 (E_RNA)
where:
Base-Base interactions energy: -845.552
where: short stacking energy: -334.732
Base-Backbone interact. energy: -3.581
local terms energy: -323.730983
where:
bonds (distance) C4'-P energy: -61.394
bonds (distance) P-C4' energy: -58.114
flat angles C4'-P-C4' energy: -66.434
flat angles P-C4'-P energy: -42.930
tors. eta vs tors. theta energy: -94.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1054.052628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.052628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.052628 (E_RNA)
where:
Base-Base interactions energy: -729.526
where: short stacking energy: -320.891
Base-Backbone interact. energy: -2.340
local terms energy: -322.186197
where:
bonds (distance) C4'-P energy: -59.939
bonds (distance) P-C4' energy: -57.715
flat angles C4'-P-C4' energy: -70.538
flat angles P-C4'-P energy: -38.187
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: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1055.661668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.661668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.661668 (E_RNA)
where:
Base-Base interactions energy: -752.660
where: short stacking energy: -322.517
Base-Backbone interact. energy: -1.511
local terms energy: -301.490197
where:
bonds (distance) C4'-P energy: -49.403
bonds (distance) P-C4' energy: -60.786
flat angles C4'-P-C4' energy: -56.064
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -86.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -969.172066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.172066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.172066 (E_RNA)
where:
Base-Base interactions energy: -665.560
where: short stacking energy: -267.880
Base-Backbone interact. energy: -1.749
local terms energy: -301.863378
where:
bonds (distance) C4'-P energy: -59.441
bonds (distance) P-C4' energy: -60.312
flat angles C4'-P-C4' energy: -63.442
flat angles P-C4'-P energy: -51.743
tors. eta vs tors. theta energy: -66.926
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: 396
Temperature: 1.100000
Total energy: -946.687708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.687708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.687708 (E_RNA)
where:
Base-Base interactions energy: -654.134
where: short stacking energy: -290.733
Base-Backbone interact. energy: -1.944
local terms energy: -290.609673
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -81.612
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: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -812.338096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.338096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.338096 (E_RNA)
where:
Base-Base interactions energy: -555.627
where: short stacking energy: -255.862
Base-Backbone interact. energy: -1.332
local terms energy: -255.379172
where:
bonds (distance) C4'-P energy: -45.471
bonds (distance) P-C4' energy: -57.509
flat angles C4'-P-C4' energy: -57.530
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -56.338
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: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -812.161103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.161103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.161103 (E_RNA)
where:
Base-Base interactions energy: -533.522
where: short stacking energy: -250.486
Base-Backbone interact. energy: -0.504
local terms energy: -278.135232
where:
bonds (distance) C4'-P energy: -55.071
bonds (distance) P-C4' energy: -59.904
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: -71.251
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: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -821.982467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.982467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.982467 (E_RNA)
where:
Base-Base interactions energy: -571.117
where: short stacking energy: -238.590
Base-Backbone interact. energy: -0.991
local terms energy: -249.875329
where:
bonds (distance) C4'-P energy: -54.694
bonds (distance) P-C4' energy: -57.850
flat angles C4'-P-C4' energy: -47.071
flat angles P-C4'-P energy: -34.018
tors. eta vs tors. theta energy: -56.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -414.788601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.788601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.788601 (E_RNA)
where:
Base-Base interactions energy: -226.471
where: short stacking energy: -112.669
Base-Backbone interact. energy: -1.348
local terms energy: -186.969532
where:
bonds (distance) C4'-P energy: -58.822
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -46.873
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -10.182
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: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -400.920150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.920150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.920150 (E_RNA)
where:
Base-Base interactions energy: -209.132
where: short stacking energy: -110.565
Base-Backbone interact. energy: 0.046
local terms energy: -191.834020
where:
bonds (distance) C4'-P energy: -54.925
bonds (distance) P-C4' energy: -52.413
flat angles C4'-P-C4' energy: -48.767
flat angles P-C4'-P energy: -32.057
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1176.391604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.391604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.391604 (E_RNA)
where:
Base-Base interactions energy: -841.529
where: short stacking energy: -342.146
Base-Backbone interact. energy: -1.945
local terms energy: -332.918153
where:
bonds (distance) C4'-P energy: -61.445
bonds (distance) P-C4' energy: -68.023
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -100.466
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: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1034.958042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.958042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.958042 (E_RNA)
where:
Base-Base interactions energy: -719.051
where: short stacking energy: -306.789
Base-Backbone interact. energy: -1.640
local terms energy: -314.267017
where:
bonds (distance) C4'-P energy: -58.977
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -68.190
flat angles P-C4'-P energy: -45.935
tors. eta vs tors. theta energy: -88.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1025.314971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.314971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.314971 (E_RNA)
where:
Base-Base interactions energy: -720.659
where: short stacking energy: -304.653
Base-Backbone interact. energy: -0.920
local terms energy: -303.735843
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -69.129
flat angles P-C4'-P energy: -44.913
tors. eta vs tors. theta energy: -87.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -972.780867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.780867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.780867 (E_RNA)
where:
Base-Base interactions energy: -688.380
where: short stacking energy: -263.484
Base-Backbone interact. energy: -1.531
local terms energy: -282.870315
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -48.516
flat angles C4'-P-C4' energy: -62.741
flat angles P-C4'-P energy: -44.694
tors. eta vs tors. theta energy: -71.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -963.433032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.433032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.433032 (E_RNA)
where:
Base-Base interactions energy: -667.918
where: short stacking energy: -300.817
Base-Backbone interact. energy: -0.855
local terms energy: -294.659927
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -60.412
flat angles P-C4'-P energy: -49.713
tors. eta vs tors. theta energy: -93.071
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: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -819.309034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.309034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.309034 (E_RNA)
where:
Base-Base interactions energy: -540.400
where: short stacking energy: -242.648
Base-Backbone interact. energy: -1.679
local terms energy: -277.230706
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -63.979
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -61.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -773.264532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.264532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.264532 (E_RNA)
where:
Base-Base interactions energy: -527.785
where: short stacking energy: -230.990
Base-Backbone interact. energy: 0.173
local terms energy: -245.651878
where:
bonds (distance) C4'-P energy: -51.165
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -48.089
flat angles P-C4'-P energy: -28.573
tors. eta vs tors. theta energy: -57.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -794.807484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.807484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.807484 (E_RNA)
where:
Base-Base interactions energy: -540.085
where: short stacking energy: -233.442
Base-Backbone interact. energy: -0.990
local terms energy: -253.732031
where:
bonds (distance) C4'-P energy: -61.389
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -54.501
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: -51.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -418.735259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.735259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.735259 (E_RNA)
where:
Base-Base interactions energy: -243.823
where: short stacking energy: -144.984
Base-Backbone interact. energy: 0.691
local terms energy: -175.603643
where:
bonds (distance) C4'-P energy: -37.509
bonds (distance) P-C4' energy: -54.402
flat angles C4'-P-C4' energy: -50.811
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -24.658
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: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -400.331007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.331007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.331007 (E_RNA)
where:
Base-Base interactions energy: -214.694
where: short stacking energy: -110.674
Base-Backbone interact. energy: -0.741
local terms energy: -184.896108
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -37.812
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -10.465
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: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1161.314316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.314316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.314316 (E_RNA)
where:
Base-Base interactions energy: -828.429
where: short stacking energy: -338.650
Base-Backbone interact. energy: -2.308
local terms energy: -330.577125
where:
bonds (distance) C4'-P energy: -52.574
bonds (distance) P-C4' energy: -63.962
flat angles C4'-P-C4' energy: -71.708
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -96.012
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: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1053.572129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.572129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.572129 (E_RNA)
where:
Base-Base interactions energy: -726.905
where: short stacking energy: -315.864
Base-Backbone interact. energy: -1.509
local terms energy: -325.158289
where:
bonds (distance) C4'-P energy: -61.320
bonds (distance) P-C4' energy: -64.335
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -44.495
tors. eta vs tors. theta energy: -89.159
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: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1015.645689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.645689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.645689 (E_RNA)
where:
Base-Base interactions energy: -708.264
where: short stacking energy: -292.673
Base-Backbone interact. energy: 0.453
local terms energy: -307.834108
where:
bonds (distance) C4'-P energy: -58.366
bonds (distance) P-C4' energy: -60.475
flat angles C4'-P-C4' energy: -66.808
flat angles P-C4'-P energy: -45.613
tors. eta vs tors. theta energy: -76.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -982.183309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.183309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.183309 (E_RNA)
where:
Base-Base interactions energy: -674.039
where: short stacking energy: -294.182
Base-Backbone interact. energy: -1.193
local terms energy: -306.951697
where:
bonds (distance) C4'-P energy: -61.080
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -62.513
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -91.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -945.244876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.244876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.244876 (E_RNA)
where:
Base-Base interactions energy: -650.500
where: short stacking energy: -285.846
Base-Backbone interact. energy: -0.039
local terms energy: -294.705598
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -63.305
flat angles P-C4'-P energy: -40.622
tors. eta vs tors. theta energy: -80.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -860.137634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.137634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.137634 (E_RNA)
where:
Base-Base interactions energy: -573.478
where: short stacking energy: -263.939
Base-Backbone interact. energy: -0.379
local terms energy: -286.280610
where:
bonds (distance) C4'-P energy: -51.668
bonds (distance) P-C4' energy: -67.674
flat angles C4'-P-C4' energy: -66.294
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -69.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -775.061277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.061277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.061277 (E_RNA)
where:
Base-Base interactions energy: -523.103
where: short stacking energy: -211.599
Base-Backbone interact. energy: -1.397
local terms energy: -250.561553
where:
bonds (distance) C4'-P energy: -54.393
bonds (distance) P-C4' energy: -55.739
flat angles C4'-P-C4' energy: -54.918
flat angles P-C4'-P energy: -29.075
tors. eta vs tors. theta energy: -56.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -775.666035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.666035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.666035 (E_RNA)
where:
Base-Base interactions energy: -550.737
where: short stacking energy: -241.753
Base-Backbone interact. energy: -1.122
local terms energy: -223.807587
where:
bonds (distance) C4'-P energy: -38.058
bonds (distance) P-C4' energy: -41.558
flat angles C4'-P-C4' energy: -56.383
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -55.860
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: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -505.987480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.987480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.987480 (E_RNA)
where:
Base-Base interactions energy: -305.576
where: short stacking energy: -164.798
Base-Backbone interact. energy: 0.690
local terms energy: -201.101520
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -47.838
flat angles C4'-P-C4' energy: -42.191
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -394.936411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.936411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.936411 (E_RNA)
where:
Base-Base interactions energy: -212.096
where: short stacking energy: -119.817
Base-Backbone interact. energy: -0.806
local terms energy: -182.034924
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -51.981
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -4.516
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: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1136.517338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.517338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.517338 (E_RNA)
where:
Base-Base interactions energy: -803.460
where: short stacking energy: -321.705
Base-Backbone interact. energy: -2.393
local terms energy: -330.664018
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -63.999
flat angles C4'-P-C4' energy: -73.454
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -92.203
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: 399
Temperature: 0.950000
Total energy: -1064.166537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.166537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.166537 (E_RNA)
where:
Base-Base interactions energy: -729.763
where: short stacking energy: -312.134
Base-Backbone interact. energy: -0.794
local terms energy: -333.609922
where:
bonds (distance) C4'-P energy: -65.034
bonds (distance) P-C4' energy: -66.636
flat angles C4'-P-C4' energy: -63.839
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -92.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1009.490062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.490062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.490062 (E_RNA)
where:
Base-Base interactions energy: -707.176
where: short stacking energy: -307.852
Base-Backbone interact. energy: 5.780
local terms energy: -308.094543
where:
bonds (distance) C4'-P energy: -49.748
bonds (distance) P-C4' energy: -57.512
flat angles C4'-P-C4' energy: -72.357
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -85.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1044.714286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.714286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.714286 (E_RNA)
where:
Base-Base interactions energy: -720.892
where: short stacking energy: -318.811
Base-Backbone interact. energy: -0.402
local terms energy: -323.419846
where:
bonds (distance) C4'-P energy: -58.472
bonds (distance) P-C4' energy: -59.391
flat angles C4'-P-C4' energy: -70.620
flat angles P-C4'-P energy: -41.677
tors. eta vs tors. theta energy: -93.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -967.704394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.704394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.704394 (E_RNA)
where:
Base-Base interactions energy: -674.891
where: short stacking energy: -310.975
Base-Backbone interact. energy: -0.676
local terms energy: -292.137486
where:
bonds (distance) C4'-P energy: -59.063
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -62.894
flat angles P-C4'-P energy: -42.633
tors. eta vs tors. theta energy: -86.941
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: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -854.642812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.642812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.642812 (E_RNA)
where:
Base-Base interactions energy: -581.030
where: short stacking energy: -253.226
Base-Backbone interact. energy: -1.091
local terms energy: -272.522427
where:
bonds (distance) C4'-P energy: -43.654
bonds (distance) P-C4' energy: -69.054
flat angles C4'-P-C4' energy: -57.204
flat angles P-C4'-P energy: -30.000
tors. eta vs tors. theta energy: -72.609
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: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -787.394218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.394218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.394218 (E_RNA)
where:
Base-Base interactions energy: -545.959
where: short stacking energy: -235.447
Base-Backbone interact. energy: -0.903
local terms energy: -240.533059
where:
bonds (distance) C4'-P energy: -46.115
bonds (distance) P-C4' energy: -53.477
flat angles C4'-P-C4' energy: -48.605
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -56.432
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: 399
Temperature: 1.250000
Total energy: -770.352341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.352341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.352341 (E_RNA)
where:
Base-Base interactions energy: -514.660
where: short stacking energy: -240.299
Base-Backbone interact. energy: -1.430
local terms energy: -254.262839
where:
bonds (distance) C4'-P energy: -57.223
bonds (distance) P-C4' energy: -55.151
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -34.996
tors. eta vs tors. theta energy: -51.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -498.681400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.681400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.681400 (E_RNA)
where:
Base-Base interactions energy: -299.215
where: short stacking energy: -142.816
Base-Backbone interact. energy: -2.295
local terms energy: -197.171823
where:
bonds (distance) C4'-P energy: -49.507
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -51.490
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: -16.523
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -458.863817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.863817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.863817 (E_RNA)
where:
Base-Base interactions energy: -277.064
where: short stacking energy: -126.024
Base-Backbone interact. energy: 3.074
local terms energy: -184.873430
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -52.766
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1140.587817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.587817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.587817 (E_RNA)
where:
Base-Base interactions energy: -805.463
where: short stacking energy: -333.525
Base-Backbone interact. energy: -0.131
local terms energy: -334.993176
where:
bonds (distance) C4'-P energy: -57.236
bonds (distance) P-C4' energy: -61.564
flat angles C4'-P-C4' energy: -73.177
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -94.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1038.940046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.940046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.940046 (E_RNA)
where:
Base-Base interactions energy: -703.587
where: short stacking energy: -312.760
Base-Backbone interact. energy: -0.761
local terms energy: -334.592384
where:
bonds (distance) C4'-P energy: -57.189
bonds (distance) P-C4' energy: -66.029
flat angles C4'-P-C4' energy: -72.746
flat angles P-C4'-P energy: -46.784
tors. eta vs tors. theta energy: -91.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1027.845567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.845567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.845567 (E_RNA)
where:
Base-Base interactions energy: -714.203
where: short stacking energy: -320.031
Base-Backbone interact. energy: 3.975
local terms energy: -317.617662
where:
bonds (distance) C4'-P energy: -59.634
bonds (distance) P-C4' energy: -61.440
flat angles C4'-P-C4' energy: -65.296
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: -86.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -985.644669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.644669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.644669 (E_RNA)
where:
Base-Base interactions energy: -681.696
where: short stacking energy: -275.153
Base-Backbone interact. energy: -3.625
local terms energy: -300.323259
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -65.572
flat angles P-C4'-P energy: -47.076
tors. eta vs tors. theta energy: -74.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -963.033771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.033771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.033771 (E_RNA)
where:
Base-Base interactions energy: -667.035
where: short stacking energy: -310.357
Base-Backbone interact. energy: -1.997
local terms energy: -294.001684
where:
bonds (distance) C4'-P energy: -52.535
bonds (distance) P-C4' energy: -58.175
flat angles C4'-P-C4' energy: -57.431
flat angles P-C4'-P energy: -36.179
tors. eta vs tors. theta energy: -89.682
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: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -871.683158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.683158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.683158 (E_RNA)
where:
Base-Base interactions energy: -588.374
where: short stacking energy: -249.561
Base-Backbone interact. energy: -0.650
local terms energy: -282.659356
where:
bonds (distance) C4'-P energy: -47.030
bonds (distance) P-C4' energy: -56.281
flat angles C4'-P-C4' energy: -61.997
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -77.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -801.130605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.130605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.130605 (E_RNA)
where:
Base-Base interactions energy: -553.844
where: short stacking energy: -238.607
Base-Backbone interact. energy: -1.991
local terms energy: -245.295734
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -44.969
flat angles C4'-P-C4' energy: -59.273
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -52.431
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: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -768.106939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.106939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.106939 (E_RNA)
where:
Base-Base interactions energy: -533.987
where: short stacking energy: -231.135
Base-Backbone interact. energy: -0.137
local terms energy: -233.982567
where:
bonds (distance) C4'-P energy: -41.179
bonds (distance) P-C4' energy: -49.461
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -50.539
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: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -522.314679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.314679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.314679 (E_RNA)
where:
Base-Base interactions energy: -307.504
where: short stacking energy: -146.274
Base-Backbone interact. energy: -1.441
local terms energy: -213.369283
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -52.323
flat angles C4'-P-C4' energy: -45.042
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -22.857
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -453.286523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.286523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.286523 (E_RNA)
where:
Base-Base interactions energy: -276.904
where: short stacking energy: -142.716
Base-Backbone interact. energy: 0.189
local terms energy: -176.571641
where:
bonds (distance) C4'-P energy: -39.243
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -41.660
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1144.155590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.155590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.155590 (E_RNA)
where:
Base-Base interactions energy: -812.391
where: short stacking energy: -347.185
Base-Backbone interact. energy: -0.552
local terms energy: -331.213118
where:
bonds (distance) C4'-P energy: -54.313
bonds (distance) P-C4' energy: -58.457
flat angles C4'-P-C4' energy: -72.431
flat angles P-C4'-P energy: -46.021
tors. eta vs tors. theta energy: -99.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1059.421593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.421593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.421593 (E_RNA)
where:
Base-Base interactions energy: -731.129
where: short stacking energy: -315.495
Base-Backbone interact. energy: 0.325
local terms energy: -328.617396
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -65.478
flat angles C4'-P-C4' energy: -67.820
flat angles P-C4'-P energy: -49.893
tors. eta vs tors. theta energy: -90.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1024.917177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.917177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.917177 (E_RNA)
where:
Base-Base interactions energy: -703.014
where: short stacking energy: -313.730
Base-Backbone interact. energy: 0.362
local terms energy: -322.265845
where:
bonds (distance) C4'-P energy: -57.244
bonds (distance) P-C4' energy: -63.143
flat angles C4'-P-C4' energy: -69.339
flat angles P-C4'-P energy: -42.352
tors. eta vs tors. theta energy: -90.188
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: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1006.350374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.350374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.350374 (E_RNA)
where:
Base-Base interactions energy: -697.879
where: short stacking energy: -277.899
Base-Backbone interact. energy: -2.515
local terms energy: -305.955654
where:
bonds (distance) C4'-P energy: -51.821
bonds (distance) P-C4' energy: -58.162
flat angles C4'-P-C4' energy: -63.408
flat angles P-C4'-P energy: -51.889
tors. eta vs tors. theta energy: -80.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -940.135911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.135911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.135911 (E_RNA)
where:
Base-Base interactions energy: -641.150
where: short stacking energy: -285.249
Base-Backbone interact. energy: -0.675
local terms energy: -298.310779
where:
bonds (distance) C4'-P energy: -60.096
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -39.567
tors. eta vs tors. theta energy: -80.452
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: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -890.997558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.997558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.997558 (E_RNA)
where:
Base-Base interactions energy: -609.897
where: short stacking energy: -267.433
Base-Backbone interact. energy: -0.072
local terms energy: -281.028602
where:
bonds (distance) C4'-P energy: -46.017
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -67.573
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -73.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -849.357781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.357781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.357781 (E_RNA)
where:
Base-Base interactions energy: -599.457
where: short stacking energy: -269.775
Base-Backbone interact. energy: 0.651
local terms energy: -250.551748
where:
bonds (distance) C4'-P energy: -45.766
bonds (distance) P-C4' energy: -51.576
flat angles C4'-P-C4' energy: -60.115
flat angles P-C4'-P energy: -30.538
tors. eta vs tors. theta energy: -62.555
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: 401
Temperature: 1.250000
Total energy: -793.605676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.605676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.605676 (E_RNA)
where:
Base-Base interactions energy: -548.286
where: short stacking energy: -254.050
Base-Backbone interact. energy: 1.844
local terms energy: -247.163498
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -53.470
flat angles C4'-P-C4' energy: -62.690
flat angles P-C4'-P energy: -27.719
tors. eta vs tors. theta energy: -60.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -523.159001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.159001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.159001 (E_RNA)
where:
Base-Base interactions energy: -301.117
where: short stacking energy: -140.771
Base-Backbone interact. energy: -1.851
local terms energy: -220.191132
where:
bonds (distance) C4'-P energy: -53.500
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -53.199
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -20.237
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: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -467.997444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.997444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.997444 (E_RNA)
where:
Base-Base interactions energy: -285.296
where: short stacking energy: -140.622
Base-Backbone interact. energy: -1.534
local terms energy: -181.167442
where:
bonds (distance) C4'-P energy: -53.935
bonds (distance) P-C4' energy: -59.375
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -14.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1135.378062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.378062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.378062 (E_RNA)
where:
Base-Base interactions energy: -811.756
where: short stacking energy: -341.784
Base-Backbone interact. energy: -1.087
local terms energy: -322.534522
where:
bonds (distance) C4'-P energy: -52.006
bonds (distance) P-C4' energy: -63.980
flat angles C4'-P-C4' energy: -68.247
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -97.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1055.460330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.460330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.460330 (E_RNA)
where:
Base-Base interactions energy: -740.586
where: short stacking energy: -313.066
Base-Backbone interact. energy: -0.999
local terms energy: -313.875725
where:
bonds (distance) C4'-P energy: -61.948
bonds (distance) P-C4' energy: -64.427
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -88.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1011.379607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.379607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.379607 (E_RNA)
where:
Base-Base interactions energy: -705.972
where: short stacking energy: -285.133
Base-Backbone interact. energy: 0.978
local terms energy: -306.385625
where:
bonds (distance) C4'-P energy: -56.113
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -74.650
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -67.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1010.635284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.635284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.635284 (E_RNA)
where:
Base-Base interactions energy: -697.779
where: short stacking energy: -287.761
Base-Backbone interact. energy: 1.125
local terms energy: -313.981386
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -63.114
flat angles C4'-P-C4' energy: -63.011
flat angles P-C4'-P energy: -52.003
tors. eta vs tors. theta energy: -85.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -941.644158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.644158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.644158 (E_RNA)
where:
Base-Base interactions energy: -645.260
where: short stacking energy: -290.322
Base-Backbone interact. energy: -1.378
local terms energy: -295.005949
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -61.645
flat angles C4'-P-C4' energy: -58.405
flat angles P-C4'-P energy: -41.963
tors. eta vs tors. theta energy: -84.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -874.808155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.808155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.808155 (E_RNA)
where:
Base-Base interactions energy: -593.626
where: short stacking energy: -255.511
Base-Backbone interact. energy: -0.588
local terms energy: -280.594003
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -57.107
flat angles C4'-P-C4' energy: -57.537
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -68.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -798.724829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.724829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.724829 (E_RNA)
where:
Base-Base interactions energy: -550.867
where: short stacking energy: -231.517
Base-Backbone interact. energy: -1.374
local terms energy: -246.483924
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -54.311
flat angles P-C4'-P energy: -33.355
tors. eta vs tors. theta energy: -58.683
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: 402
Temperature: 1.250000
Total energy: -785.330880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.330880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.330880 (E_RNA)
where:
Base-Base interactions energy: -538.367
where: short stacking energy: -247.708
Base-Backbone interact. energy: 0.030
local terms energy: -246.993648
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -44.570
flat angles C4'-P-C4' energy: -59.995
flat angles P-C4'-P energy: -33.433
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: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -596.210653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.210653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.210653 (E_RNA)
where:
Base-Base interactions energy: -370.707
where: short stacking energy: -178.121
Base-Backbone interact. energy: 1.371
local terms energy: -226.874582
where:
bonds (distance) C4'-P energy: -41.847
bonds (distance) P-C4' energy: -47.816
flat angles C4'-P-C4' energy: -62.457
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -41.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -419.797744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.797744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.797744 (E_RNA)
where:
Base-Base interactions energy: -211.734
where: short stacking energy: -117.892
Base-Backbone interact. energy: -1.636
local terms energy: -206.428228
where:
bonds (distance) C4'-P energy: -52.108
bonds (distance) P-C4' energy: -57.963
flat angles C4'-P-C4' energy: -54.980
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1157.670804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.670804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.670804 (E_RNA)
where:
Base-Base interactions energy: -822.393
where: short stacking energy: -340.327
Base-Backbone interact. energy: -0.166
local terms energy: -335.111964
where:
bonds (distance) C4'-P energy: -61.544
bonds (distance) P-C4' energy: -63.502
flat angles C4'-P-C4' energy: -73.476
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -98.695
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: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1054.192281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.192281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.192281 (E_RNA)
where:
Base-Base interactions energy: -718.402
where: short stacking energy: -302.603
Base-Backbone interact. energy: -2.274
local terms energy: -333.516822
where:
bonds (distance) C4'-P energy: -65.962
bonds (distance) P-C4' energy: -59.732
flat angles C4'-P-C4' energy: -67.964
flat angles P-C4'-P energy: -47.870
tors. eta vs tors. theta energy: -91.988
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: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1022.730720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.730720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.730720 (E_RNA)
where:
Base-Base interactions energy: -731.093
where: short stacking energy: -292.846
Base-Backbone interact. energy: 3.901
local terms energy: -295.538531
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -72.290
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -77.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1010.185796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.185796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.185796 (E_RNA)
where:
Base-Base interactions energy: -705.896
where: short stacking energy: -309.230
Base-Backbone interact. energy: -1.246
local terms energy: -303.043464
where:
bonds (distance) C4'-P energy: -47.187
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -69.314
flat angles P-C4'-P energy: -41.069
tors. eta vs tors. theta energy: -86.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -950.658141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.658141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.658141 (E_RNA)
where:
Base-Base interactions energy: -632.413
where: short stacking energy: -290.775
Base-Backbone interact. energy: -1.511
local terms energy: -316.733866
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -58.438
flat angles C4'-P-C4' energy: -62.950
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: -88.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -854.249074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.249074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.249074 (E_RNA)
where:
Base-Base interactions energy: -570.060
where: short stacking energy: -254.632
Base-Backbone interact. energy: -1.218
local terms energy: -282.971341
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -55.707
flat angles C4'-P-C4' energy: -63.014
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -63.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -758.298767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.298767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.298767 (E_RNA)
where:
Base-Base interactions energy: -524.724
where: short stacking energy: -200.032
Base-Backbone interact. energy: 1.351
local terms energy: -234.925801
where:
bonds (distance) C4'-P energy: -55.702
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -48.722
flat angles P-C4'-P energy: -38.892
tors. eta vs tors. theta energy: -40.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -822.412938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.412938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.412938 (E_RNA)
where:
Base-Base interactions energy: -563.267
where: short stacking energy: -248.221
Base-Backbone interact. energy: -0.379
local terms energy: -258.766520
where:
bonds (distance) C4'-P energy: -52.988
bonds (distance) P-C4' energy: -43.540
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -68.223
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: 403
Temperature: 1.300000
Total energy: -609.327190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.327190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.327190 (E_RNA)
where:
Base-Base interactions energy: -381.441
where: short stacking energy: -173.726
Base-Backbone interact. energy: -2.289
local terms energy: -225.597089
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -34.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -429.669144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.669144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.669144 (E_RNA)
where:
Base-Base interactions energy: -243.772
where: short stacking energy: -114.895
Base-Backbone interact. energy: 0.291
local terms energy: -186.187918
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -51.417
flat angles C4'-P-C4' energy: -48.479
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1144.734815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.734815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.734815 (E_RNA)
where:
Base-Base interactions energy: -830.174
where: short stacking energy: -336.450
Base-Backbone interact. energy: -1.724
local terms energy: -312.836389
where:
bonds (distance) C4'-P energy: -56.560
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -70.371
flat angles P-C4'-P energy: -39.688
tors. eta vs tors. theta energy: -89.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1058.126596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.126596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.126596 (E_RNA)
where:
Base-Base interactions energy: -726.072
where: short stacking energy: -297.110
Base-Backbone interact. energy: -2.026
local terms energy: -330.029287
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -63.717
flat angles C4'-P-C4' energy: -65.776
flat angles P-C4'-P energy: -47.702
tors. eta vs tors. theta energy: -93.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1022.396786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.396786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.396786 (E_RNA)
where:
Base-Base interactions energy: -716.376
where: short stacking energy: -318.174
Base-Backbone interact. energy: 2.070
local terms energy: -308.090989
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -57.547
flat angles C4'-P-C4' energy: -59.909
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -89.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -974.175882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.175882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.175882 (E_RNA)
where:
Base-Base interactions energy: -676.785
where: short stacking energy: -273.153
Base-Backbone interact. energy: -1.084
local terms energy: -296.306762
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -61.542
flat angles C4'-P-C4' energy: -69.166
flat angles P-C4'-P energy: -47.965
tors. eta vs tors. theta energy: -71.080
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -947.345794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.345794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.345794 (E_RNA)
where:
Base-Base interactions energy: -633.602
where: short stacking energy: -302.162
Base-Backbone interact. energy: -1.316
local terms energy: -312.427127
where:
bonds (distance) C4'-P energy: -55.032
bonds (distance) P-C4' energy: -59.295
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -46.931
tors. eta vs tors. theta energy: -90.829
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: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -843.748026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.748026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.748026 (E_RNA)
where:
Base-Base interactions energy: -578.615
where: short stacking energy: -252.793
Base-Backbone interact. energy: -0.574
local terms energy: -264.559363
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -59.146
flat angles C4'-P-C4' energy: -49.366
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -63.318
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: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -844.082306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.082306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.082306 (E_RNA)
where:
Base-Base interactions energy: -559.202
where: short stacking energy: -257.138
Base-Backbone interact. energy: 0.824
local terms energy: -285.704258
where:
bonds (distance) C4'-P energy: -56.265
bonds (distance) P-C4' energy: -56.393
flat angles C4'-P-C4' energy: -62.951
flat angles P-C4'-P energy: -40.715
tors. eta vs tors. theta energy: -69.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -769.432313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.432313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.432313 (E_RNA)
where:
Base-Base interactions energy: -528.971
where: short stacking energy: -214.252
Base-Backbone interact. energy: -3.258
local terms energy: -237.203377
where:
bonds (distance) C4'-P energy: -46.169
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -48.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -555.476235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.476235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.476235 (E_RNA)
where:
Base-Base interactions energy: -352.556
where: short stacking energy: -157.588
Base-Backbone interact. energy: -0.120
local terms energy: -202.799677
where:
bonds (distance) C4'-P energy: -59.717
bonds (distance) P-C4' energy: -49.568
flat angles C4'-P-C4' energy: -52.746
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -380.994357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.994357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.994357 (E_RNA)
where:
Base-Base interactions energy: -183.311
where: short stacking energy: -111.412
Base-Backbone interact. energy: -1.036
local terms energy: -196.647393
where:
bonds (distance) C4'-P energy: -53.442
bonds (distance) P-C4' energy: -58.040
flat angles C4'-P-C4' energy: -49.367
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1154.692943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.692943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.692943 (E_RNA)
where:
Base-Base interactions energy: -828.876
where: short stacking energy: -350.762
Base-Backbone interact. energy: -1.562
local terms energy: -324.254668
where:
bonds (distance) C4'-P energy: -58.609
bonds (distance) P-C4' energy: -60.467
flat angles C4'-P-C4' energy: -68.602
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -97.800
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: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1062.856105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.856105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.856105 (E_RNA)
where:
Base-Base interactions energy: -743.768
where: short stacking energy: -311.287
Base-Backbone interact. energy: -0.658
local terms energy: -318.429488
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -65.250
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -30.692
tors. eta vs tors. theta energy: -94.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1006.994782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.994782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.994782 (E_RNA)
where:
Base-Base interactions energy: -715.117
where: short stacking energy: -300.423
Base-Backbone interact. energy: 2.486
local terms energy: -294.364013
where:
bonds (distance) C4'-P energy: -52.268
bonds (distance) P-C4' energy: -60.629
flat angles C4'-P-C4' energy: -57.891
flat angles P-C4'-P energy: -44.162
tors. eta vs tors. theta energy: -79.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1001.842387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.842387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.842387 (E_RNA)
where:
Base-Base interactions energy: -706.984
where: short stacking energy: -283.396
Base-Backbone interact. energy: -2.960
local terms energy: -291.897905
where:
bonds (distance) C4'-P energy: -54.555
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -62.875
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -78.185
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: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -950.488495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.488495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.488495 (E_RNA)
where:
Base-Base interactions energy: -658.469
where: short stacking energy: -302.488
Base-Backbone interact. energy: 2.773
local terms energy: -294.792839
where:
bonds (distance) C4'-P energy: -49.957
bonds (distance) P-C4' energy: -58.049
flat angles C4'-P-C4' energy: -61.826
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: -83.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -859.554693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.554693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.554693 (E_RNA)
where:
Base-Base interactions energy: -578.630
where: short stacking energy: -260.003
Base-Backbone interact. energy: -1.479
local terms energy: -279.446005
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -69.663
flat angles C4'-P-C4' energy: -53.985
flat angles P-C4'-P energy: -40.075
tors. eta vs tors. theta energy: -69.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -855.186793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.186793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.186793 (E_RNA)
where:
Base-Base interactions energy: -593.557
where: short stacking energy: -270.990
Base-Backbone interact. energy: -0.124
local terms energy: -261.506309
where:
bonds (distance) C4'-P energy: -45.058
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -57.369
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -70.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -719.994044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.994044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.994044 (E_RNA)
where:
Base-Base interactions energy: -498.902
where: short stacking energy: -221.498
Base-Backbone interact. energy: 2.963
local terms energy: -224.055818
where:
bonds (distance) C4'-P energy: -39.845
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -56.364
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -36.503
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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -570.140308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.140308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.140308 (E_RNA)
where:
Base-Base interactions energy: -349.334
where: short stacking energy: -169.081
Base-Backbone interact. energy: 0.493
local terms energy: -221.298718
where:
bonds (distance) C4'-P energy: -58.296
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -46.246
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -41.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -429.963816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.963816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.963816 (E_RNA)
where:
Base-Base interactions energy: -234.939
where: short stacking energy: -120.771
Base-Backbone interact. energy: -1.575
local terms energy: -193.449201
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -52.495
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1164.235822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.235822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.235822 (E_RNA)
where:
Base-Base interactions energy: -832.986
where: short stacking energy: -357.396
Base-Backbone interact. energy: -1.939
local terms energy: -329.311306
where:
bonds (distance) C4'-P energy: -53.743
bonds (distance) P-C4' energy: -63.610
flat angles C4'-P-C4' energy: -72.045
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -96.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1066.018954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.018954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.018954 (E_RNA)
where:
Base-Base interactions energy: -742.754
where: short stacking energy: -306.962
Base-Backbone interact. energy: -0.738
local terms energy: -322.526616
where:
bonds (distance) C4'-P energy: -59.857
bonds (distance) P-C4' energy: -62.238
flat angles C4'-P-C4' energy: -64.558
flat angles P-C4'-P energy: -48.760
tors. eta vs tors. theta energy: -87.114
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: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1033.935589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.935589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.935589 (E_RNA)
where:
Base-Base interactions energy: -705.646
where: short stacking energy: -316.983
Base-Backbone interact. energy: -2.643
local terms energy: -325.646638
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -68.382
flat angles P-C4'-P energy: -45.919
tors. eta vs tors. theta energy: -96.067
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: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -982.252970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.252970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.252970 (E_RNA)
where:
Base-Base interactions energy: -691.668
where: short stacking energy: -275.159
Base-Backbone interact. energy: -1.800
local terms energy: -288.784870
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -65.185
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -73.064
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: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -965.340201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.340201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.340201 (E_RNA)
where:
Base-Base interactions energy: -672.524
where: short stacking energy: -301.379
Base-Backbone interact. energy: -1.089
local terms energy: -291.726584
where:
bonds (distance) C4'-P energy: -40.315
bonds (distance) P-C4' energy: -62.681
flat angles C4'-P-C4' energy: -60.033
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -84.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -874.861319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.861319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.861319 (E_RNA)
where:
Base-Base interactions energy: -605.628
where: short stacking energy: -291.448
Base-Backbone interact. energy: 2.957
local terms energy: -272.190393
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -35.698
flat angles C4'-P-C4' energy: -69.663
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -74.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -856.067639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.067639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.067639 (E_RNA)
where:
Base-Base interactions energy: -591.221
where: short stacking energy: -256.118
Base-Backbone interact. energy: 1.562
local terms energy: -266.407901
where:
bonds (distance) C4'-P energy: -56.557
bonds (distance) P-C4' energy: -47.743
flat angles C4'-P-C4' energy: -51.852
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -72.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -743.074276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.074276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.074276 (E_RNA)
where:
Base-Base interactions energy: -513.261
where: short stacking energy: -226.022
Base-Backbone interact. energy: 1.500
local terms energy: -231.313534
where:
bonds (distance) C4'-P energy: -44.459
bonds (distance) P-C4' energy: -56.301
flat angles C4'-P-C4' energy: -45.120
flat angles P-C4'-P energy: -31.011
tors. eta vs tors. theta energy: -54.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -618.862743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.862743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.862743 (E_RNA)
where:
Base-Base interactions energy: -381.760
where: short stacking energy: -195.427
Base-Backbone interact. energy: -1.654
local terms energy: -235.448466
where:
bonds (distance) C4'-P energy: -51.651
bonds (distance) P-C4' energy: -58.611
flat angles C4'-P-C4' energy: -53.350
flat angles P-C4'-P energy: -35.882
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -352.275621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.275621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.275621 (E_RNA)
where:
Base-Base interactions energy: -181.484
where: short stacking energy: -122.571
Base-Backbone interact. energy: -0.851
local terms energy: -169.940840
where:
bonds (distance) C4'-P energy: -48.764
bonds (distance) P-C4' energy: -48.307
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1158.854672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.854672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.854672 (E_RNA)
where:
Base-Base interactions energy: -819.914
where: short stacking energy: -348.346
Base-Backbone interact. energy: -1.842
local terms energy: -337.099073
where:
bonds (distance) C4'-P energy: -64.308
bonds (distance) P-C4' energy: -60.574
flat angles C4'-P-C4' energy: -65.871
flat angles P-C4'-P energy: -46.320
tors. eta vs tors. theta energy: -100.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1061.066811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.066811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.066811 (E_RNA)
where:
Base-Base interactions energy: -728.868
where: short stacking energy: -318.013
Base-Backbone interact. energy: -1.069
local terms energy: -331.129480
where:
bonds (distance) C4'-P energy: -60.380
bonds (distance) P-C4' energy: -55.613
flat angles C4'-P-C4' energy: -70.773
flat angles P-C4'-P energy: -48.856
tors. eta vs tors. theta energy: -95.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1015.146042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.146042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.146042 (E_RNA)
where:
Base-Base interactions energy: -714.978
where: short stacking energy: -310.077
Base-Backbone interact. energy: -1.657
local terms energy: -298.510663
where:
bonds (distance) C4'-P energy: -59.576
bonds (distance) P-C4' energy: -50.235
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -93.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -983.944841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.944841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.944841 (E_RNA)
where:
Base-Base interactions energy: -683.295
where: short stacking energy: -286.448
Base-Backbone interact. energy: -2.356
local terms energy: -298.294458
where:
bonds (distance) C4'-P energy: -54.765
bonds (distance) P-C4' energy: -60.551
flat angles C4'-P-C4' energy: -59.725
flat angles P-C4'-P energy: -44.027
tors. eta vs tors. theta energy: -79.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -956.517553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.517553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.517553 (E_RNA)
where:
Base-Base interactions energy: -655.135
where: short stacking energy: -300.442
Base-Backbone interact. energy: -1.292
local terms energy: -300.090128
where:
bonds (distance) C4'-P energy: -54.315
bonds (distance) P-C4' energy: -60.088
flat angles C4'-P-C4' energy: -60.282
flat angles P-C4'-P energy: -46.063
tors. eta vs tors. theta energy: -79.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -898.837206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.837206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.837206 (E_RNA)
where:
Base-Base interactions energy: -610.471
where: short stacking energy: -266.383
Base-Backbone interact. energy: -0.806
local terms energy: -287.560098
where:
bonds (distance) C4'-P energy: -60.015
bonds (distance) P-C4' energy: -60.268
flat angles C4'-P-C4' energy: -62.446
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -63.953
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: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -852.354133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.354133 (E_RNA)
where:
Base-Base interactions energy: -592.799
where: short stacking energy: -246.686
Base-Backbone interact. energy: 2.610
local terms energy: -262.165862
where:
bonds (distance) C4'-P energy: -59.028
bonds (distance) P-C4' energy: -47.052
flat angles C4'-P-C4' energy: -52.554
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: -63.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -766.931590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.931590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.931590 (E_RNA)
where:
Base-Base interactions energy: -533.418
where: short stacking energy: -220.156
Base-Backbone interact. energy: -1.137
local terms energy: -232.376399
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -54.955
flat angles C4'-P-C4' energy: -55.447
flat angles P-C4'-P energy: -28.523
tors. eta vs tors. theta energy: -56.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -577.115828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.115828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.115828 (E_RNA)
where:
Base-Base interactions energy: -357.786
where: short stacking energy: -180.634
Base-Backbone interact. energy: -0.301
local terms energy: -219.029477
where:
bonds (distance) C4'-P energy: -52.998
bonds (distance) P-C4' energy: -59.208
flat angles C4'-P-C4' energy: -47.384
flat angles P-C4'-P energy: -25.616
tors. eta vs tors. theta energy: -33.824
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: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -348.552089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.552089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.552089 (E_RNA)
where:
Base-Base interactions energy: -166.097
where: short stacking energy: -98.320
Base-Backbone interact. energy: 1.945
local terms energy: -184.400508
where:
bonds (distance) C4'-P energy: -56.030
bonds (distance) P-C4' energy: -58.129
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: 2.410
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: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1162.331003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.331003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.331003 (E_RNA)
where:
Base-Base interactions energy: -819.847
where: short stacking energy: -348.085
Base-Backbone interact. energy: -2.793
local terms energy: -339.691676
where:
bonds (distance) C4'-P energy: -61.629
bonds (distance) P-C4' energy: -68.728
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -96.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1076.153312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.153312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.153312 (E_RNA)
where:
Base-Base interactions energy: -754.869
where: short stacking energy: -338.149
Base-Backbone interact. energy: -0.601
local terms energy: -320.683657
where:
bonds (distance) C4'-P energy: -55.708
bonds (distance) P-C4' energy: -57.935
flat angles C4'-P-C4' energy: -69.500
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -90.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1030.757738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.757738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.757738 (E_RNA)
where:
Base-Base interactions energy: -697.732
where: short stacking energy: -318.453
Base-Backbone interact. energy: -2.009
local terms energy: -331.016372
where:
bonds (distance) C4'-P energy: -60.077
bonds (distance) P-C4' energy: -70.000
flat angles C4'-P-C4' energy: -62.879
flat angles P-C4'-P energy: -47.622
tors. eta vs tors. theta energy: -90.439
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: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -992.193236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.193236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.193236 (E_RNA)
where:
Base-Base interactions energy: -688.393
where: short stacking energy: -280.801
Base-Backbone interact. energy: 1.206
local terms energy: -305.006478
where:
bonds (distance) C4'-P energy: -63.012
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -62.139
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: -69.854
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: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -907.298866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.298866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.298866 (E_RNA)
where:
Base-Base interactions energy: -625.731
where: short stacking energy: -286.319
Base-Backbone interact. energy: -0.608
local terms energy: -280.959964
where:
bonds (distance) C4'-P energy: -50.863
bonds (distance) P-C4' energy: -54.050
flat angles C4'-P-C4' energy: -58.708
flat angles P-C4'-P energy: -37.160
tors. eta vs tors. theta energy: -80.179
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: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -939.410073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.410073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.410073 (E_RNA)
where:
Base-Base interactions energy: -641.566
where: short stacking energy: -294.559
Base-Backbone interact. energy: -1.076
local terms energy: -296.768024
where:
bonds (distance) C4'-P energy: -55.166
bonds (distance) P-C4' energy: -49.818
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -86.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -807.412078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.412078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.412078 (E_RNA)
where:
Base-Base interactions energy: -545.714
where: short stacking energy: -231.205
Base-Backbone interact. energy: -1.026
local terms energy: -260.671815
where:
bonds (distance) C4'-P energy: -57.367
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -39.274
tors. eta vs tors. theta energy: -49.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -769.271884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.271884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.271884 (E_RNA)
where:
Base-Base interactions energy: -543.773
where: short stacking energy: -225.721
Base-Backbone interact. energy: 0.765
local terms energy: -226.263555
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: -46.747
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: 408
Temperature: 1.300000
Total energy: -536.805419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.805419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.805419 (E_RNA)
where:
Base-Base interactions energy: -323.779
where: short stacking energy: -158.791
Base-Backbone interact. energy: 1.343
local terms energy: -214.369997
where:
bonds (distance) C4'-P energy: -61.549
bonds (distance) P-C4' energy: -47.349
flat angles C4'-P-C4' energy: -53.313
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -24.961
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: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -378.343188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.343188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.343188 (E_RNA)
where:
Base-Base interactions energy: -209.090
where: short stacking energy: -116.944
Base-Backbone interact. energy: 2.268
local terms energy: -171.521608
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -45.829
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -17.740
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: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1136.445193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.445193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.445193 (E_RNA)
where:
Base-Base interactions energy: -804.136
where: short stacking energy: -321.855
Base-Backbone interact. energy: -1.708
local terms energy: -330.601692
where:
bonds (distance) C4'-P energy: -58.240
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -69.031
flat angles P-C4'-P energy: -52.823
tors. eta vs tors. theta energy: -98.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1083.318876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.318876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.318876 (E_RNA)
where:
Base-Base interactions energy: -748.316
where: short stacking energy: -339.895
Base-Backbone interact. energy: 0.559
local terms energy: -335.562145
where:
bonds (distance) C4'-P energy: -54.525
bonds (distance) P-C4' energy: -56.394
flat angles C4'-P-C4' energy: -78.105
flat angles P-C4'-P energy: -48.209
tors. eta vs tors. theta energy: -98.329
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: 409
Temperature: 1.000000
Total energy: -1025.870056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.870056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.870056 (E_RNA)
where:
Base-Base interactions energy: -706.582
where: short stacking energy: -296.777
Base-Backbone interact. energy: -2.898
local terms energy: -316.389806
where:
bonds (distance) C4'-P energy: -60.784
bonds (distance) P-C4' energy: -64.229
flat angles C4'-P-C4' energy: -67.490
flat angles P-C4'-P energy: -36.656
tors. eta vs tors. theta energy: -87.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -991.497178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.497178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.497178 (E_RNA)
where:
Base-Base interactions energy: -679.684
where: short stacking energy: -281.955
Base-Backbone interact. energy: -1.955
local terms energy: -309.857600
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -64.460
flat angles C4'-P-C4' energy: -70.370
flat angles P-C4'-P energy: -39.083
tors. eta vs tors. theta energy: -75.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -924.435395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.435395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.435395 (E_RNA)
where:
Base-Base interactions energy: -638.375
where: short stacking energy: -285.921
Base-Backbone interact. energy: -1.049
local terms energy: -285.011608
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -61.516
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -89.377
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: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -940.510649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.510649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.510649 (E_RNA)
where:
Base-Base interactions energy: -649.660
where: short stacking energy: -290.628
Base-Backbone interact. energy: 0.381
local terms energy: -291.231145
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -52.692
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -86.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -818.110921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.110921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.110921 (E_RNA)
where:
Base-Base interactions energy: -574.576
where: short stacking energy: -261.224
Base-Backbone interact. energy: 3.073
local terms energy: -246.608359
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -57.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -811.330009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.330009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.330009 (E_RNA)
where:
Base-Base interactions energy: -548.157
where: short stacking energy: -219.205
Base-Backbone interact. energy: -0.853
local terms energy: -262.320224
where:
bonds (distance) C4'-P energy: -58.755
bonds (distance) P-C4' energy: -54.187
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: -62.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -551.555911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.555911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.555911 (E_RNA)
where:
Base-Base interactions energy: -330.475
where: short stacking energy: -171.521
Base-Backbone interact. energy: 2.132
local terms energy: -223.213325
where:
bonds (distance) C4'-P energy: -63.552
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -48.668
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -39.539
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: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -373.686769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.686769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.686769 (E_RNA)
where:
Base-Base interactions energy: -195.488
where: short stacking energy: -114.914
Base-Backbone interact. energy: 1.019
local terms energy: -179.217362
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1152.590987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.590987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.590987 (E_RNA)
where:
Base-Base interactions energy: -816.772
where: short stacking energy: -352.831
Base-Backbone interact. energy: -2.369
local terms energy: -333.450132
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -65.017
flat angles C4'-P-C4' energy: -68.524
flat angles P-C4'-P energy: -41.583
tors. eta vs tors. theta energy: -97.928
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: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1082.879186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.879186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.879186 (E_RNA)
where:
Base-Base interactions energy: -754.630
where: short stacking energy: -352.087
Base-Backbone interact. energy: -0.183
local terms energy: -328.066127
where:
bonds (distance) C4'-P energy: -53.650
bonds (distance) P-C4' energy: -60.704
flat angles C4'-P-C4' energy: -67.664
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -100.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1019.032581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.032581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.032581 (E_RNA)
where:
Base-Base interactions energy: -716.643
where: short stacking energy: -297.484
Base-Backbone interact. energy: -2.787
local terms energy: -299.602604
where:
bonds (distance) C4'-P energy: -51.924
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -45.924
tors. eta vs tors. theta energy: -77.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1033.149845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.149845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.149845 (E_RNA)
where:
Base-Base interactions energy: -728.006
where: short stacking energy: -305.939
Base-Backbone interact. energy: -3.145
local terms energy: -301.999295
where:
bonds (distance) C4'-P energy: -60.101
bonds (distance) P-C4' energy: -58.114
flat angles C4'-P-C4' energy: -64.677
flat angles P-C4'-P energy: -34.188
tors. eta vs tors. theta energy: -84.919
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: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -984.956366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.956366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.956366 (E_RNA)
where:
Base-Base interactions energy: -674.247
where: short stacking energy: -310.117
Base-Backbone interact. energy: -1.854
local terms energy: -308.855560
where:
bonds (distance) C4'-P energy: -55.300
bonds (distance) P-C4' energy: -68.317
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -84.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -905.929627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.929627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.929627 (E_RNA)
where:
Base-Base interactions energy: -626.421
where: short stacking energy: -278.913
Base-Backbone interact. energy: 0.197
local terms energy: -279.705057
where:
bonds (distance) C4'-P energy: -64.948
bonds (distance) P-C4' energy: -43.393
flat angles C4'-P-C4' energy: -58.737
flat angles P-C4'-P energy: -35.573
tors. eta vs tors. theta energy: -77.053
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: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -843.205231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.205231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.205231 (E_RNA)
where:
Base-Base interactions energy: -576.078
where: short stacking energy: -247.236
Base-Backbone interact. energy: 1.075
local terms energy: -268.202449
where:
bonds (distance) C4'-P energy: -56.546
bonds (distance) P-C4' energy: -46.478
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -59.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -782.300895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.300895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.300895 (E_RNA)
where:
Base-Base interactions energy: -524.442
where: short stacking energy: -226.485
Base-Backbone interact. energy: -3.270
local terms energy: -254.589122
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -49.668
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -57.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -586.744833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.744833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.744833 (E_RNA)
where:
Base-Base interactions energy: -360.272
where: short stacking energy: -171.058
Base-Backbone interact. energy: -2.405
local terms energy: -224.068127
where:
bonds (distance) C4'-P energy: -62.954
bonds (distance) P-C4' energy: -56.459
flat angles C4'-P-C4' energy: -41.372
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -36.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -419.685756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.685756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.685756 (E_RNA)
where:
Base-Base interactions energy: -216.299
where: short stacking energy: -129.270
Base-Backbone interact. energy: -0.321
local terms energy: -203.065593
where:
bonds (distance) C4'-P energy: -57.046
bonds (distance) P-C4' energy: -42.735
flat angles C4'-P-C4' energy: -52.074
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1156.839587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.839587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.839587 (E_RNA)
where:
Base-Base interactions energy: -815.097
where: short stacking energy: -348.972
Base-Backbone interact. energy: -5.005
local terms energy: -336.738159
where:
bonds (distance) C4'-P energy: -60.735
bonds (distance) P-C4' energy: -62.989
flat angles C4'-P-C4' energy: -70.421
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -101.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1085.355166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.355166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.355166 (E_RNA)
where:
Base-Base interactions energy: -765.169
where: short stacking energy: -336.894
Base-Backbone interact. energy: 0.275
local terms energy: -320.462081
where:
bonds (distance) C4'-P energy: -61.459
bonds (distance) P-C4' energy: -47.961
flat angles C4'-P-C4' energy: -70.301
flat angles P-C4'-P energy: -43.352
tors. eta vs tors. theta energy: -97.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1038.923608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.923608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.923608 (E_RNA)
where:
Base-Base interactions energy: -728.282
where: short stacking energy: -284.263
Base-Backbone interact. energy: -2.664
local terms energy: -307.977975
where:
bonds (distance) C4'-P energy: -58.716
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -64.962
flat angles P-C4'-P energy: -55.645
tors. eta vs tors. theta energy: -77.443
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: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1048.797178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.797178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.797178 (E_RNA)
where:
Base-Base interactions energy: -730.863
where: short stacking energy: -292.475
Base-Backbone interact. energy: -0.497
local terms energy: -317.436897
where:
bonds (distance) C4'-P energy: -55.895
bonds (distance) P-C4' energy: -55.564
flat angles C4'-P-C4' energy: -67.780
flat angles P-C4'-P energy: -48.942
tors. eta vs tors. theta energy: -89.255
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: 411
Temperature: 1.100000
Total energy: -933.050855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.050855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.050855 (E_RNA)
where:
Base-Base interactions energy: -631.998
where: short stacking energy: -280.614
Base-Backbone interact. energy: 0.312
local terms energy: -301.364754
where:
bonds (distance) C4'-P energy: -55.873
bonds (distance) P-C4' energy: -52.719
flat angles C4'-P-C4' energy: -58.434
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -87.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -854.984037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.984037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.984037 (E_RNA)
where:
Base-Base interactions energy: -570.165
where: short stacking energy: -255.247
Base-Backbone interact. energy: -2.250
local terms energy: -282.569305
where:
bonds (distance) C4'-P energy: -57.152
bonds (distance) P-C4' energy: -50.749
flat angles C4'-P-C4' energy: -63.189
flat angles P-C4'-P energy: -40.509
tors. eta vs tors. theta energy: -70.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -848.443472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.443472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.443472 (E_RNA)
where:
Base-Base interactions energy: -590.293
where: short stacking energy: -263.140
Base-Backbone interact. energy: -0.690
local terms energy: -257.461208
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -50.660
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -32.335
tors. eta vs tors. theta energy: -76.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -791.224638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.224638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.224638 (E_RNA)
where:
Base-Base interactions energy: -528.525
where: short stacking energy: -228.698
Base-Backbone interact. energy: 1.294
local terms energy: -263.993822
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -61.899
flat angles C4'-P-C4' energy: -63.271
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -56.756
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: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -523.042298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.042298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.042298 (E_RNA)
where:
Base-Base interactions energy: -306.791
where: short stacking energy: -145.415
Base-Backbone interact. energy: 1.977
local terms energy: -218.229051
where:
bonds (distance) C4'-P energy: -48.682
bonds (distance) P-C4' energy: -58.413
flat angles C4'-P-C4' energy: -54.765
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -23.654
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: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -387.267123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.267123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.267123 (E_RNA)
where:
Base-Base interactions energy: -194.899
where: short stacking energy: -103.146
Base-Backbone interact. energy: -1.701
local terms energy: -190.667667
where:
bonds (distance) C4'-P energy: -45.013
bonds (distance) P-C4' energy: -54.087
flat angles C4'-P-C4' energy: -46.659
flat angles P-C4'-P energy: -29.365
tors. eta vs tors. theta energy: -15.544
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: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1150.500088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.500088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.500088 (E_RNA)
where:
Base-Base interactions energy: -820.502
where: short stacking energy: -344.182
Base-Backbone interact. energy: -2.313
local terms energy: -327.685462
where:
bonds (distance) C4'-P energy: -61.788
bonds (distance) P-C4' energy: -65.896
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -41.952
tors. eta vs tors. theta energy: -97.656
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: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1073.163813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.163813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.163813 (E_RNA)
where:
Base-Base interactions energy: -741.101
where: short stacking energy: -327.691
Base-Backbone interact. energy: -0.986
local terms energy: -331.077053
where:
bonds (distance) C4'-P energy: -62.474
bonds (distance) P-C4' energy: -61.464
flat angles C4'-P-C4' energy: -69.538
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: -96.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1041.775965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.775965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.775965 (E_RNA)
where:
Base-Base interactions energy: -732.027
where: short stacking energy: -291.161
Base-Backbone interact. energy: 0.324
local terms energy: -310.072881
where:
bonds (distance) C4'-P energy: -57.385
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -60.904
flat angles P-C4'-P energy: -50.814
tors. eta vs tors. theta energy: -78.386
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: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1020.793321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.793321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.793321 (E_RNA)
where:
Base-Base interactions energy: -727.411
where: short stacking energy: -298.313
Base-Backbone interact. energy: -2.272
local terms energy: -291.111109
where:
bonds (distance) C4'-P energy: -61.198
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -63.286
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -78.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -944.289670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.289670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.289670 (E_RNA)
where:
Base-Base interactions energy: -661.922
where: short stacking energy: -290.295
Base-Backbone interact. energy: -1.920
local terms energy: -280.447529
where:
bonds (distance) C4'-P energy: -51.705
bonds (distance) P-C4' energy: -55.169
flat angles C4'-P-C4' energy: -63.140
flat angles P-C4'-P energy: -28.423
tors. eta vs tors. theta energy: -82.010
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: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -853.004552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.004552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.004552 (E_RNA)
where:
Base-Base interactions energy: -596.548
where: short stacking energy: -265.470
Base-Backbone interact. energy: 0.700
local terms energy: -257.156616
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -50.284
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -31.400
tors. eta vs tors. theta energy: -64.735
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -868.752465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.752465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.752465 (E_RNA)
where:
Base-Base interactions energy: -575.729
where: short stacking energy: -258.403
Base-Backbone interact. energy: -0.461
local terms energy: -292.562659
where:
bonds (distance) C4'-P energy: -52.506
bonds (distance) P-C4' energy: -63.936
flat angles C4'-P-C4' energy: -66.427
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -71.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -766.981680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.981680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.981680 (E_RNA)
where:
Base-Base interactions energy: -514.688
where: short stacking energy: -217.939
Base-Backbone interact. energy: 0.716
local terms energy: -253.010410
where:
bonds (distance) C4'-P energy: -49.206
bonds (distance) P-C4' energy: -53.489
flat angles C4'-P-C4' energy: -65.811
flat angles P-C4'-P energy: -31.944
tors. eta vs tors. theta energy: -52.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -558.766742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.766742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.766742 (E_RNA)
where:
Base-Base interactions energy: -361.720
where: short stacking energy: -176.280
Base-Backbone interact. energy: -0.326
local terms energy: -196.720474
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -40.924
flat angles P-C4'-P energy: -32.211
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -400.048209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.048209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.048209 (E_RNA)
where:
Base-Base interactions energy: -214.416
where: short stacking energy: -118.782
Base-Backbone interact. energy: -1.544
local terms energy: -184.088139
where:
bonds (distance) C4'-P energy: -56.454
bonds (distance) P-C4' energy: -55.013
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1170.972280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.972280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.972280 (E_RNA)
where:
Base-Base interactions energy: -834.063
where: short stacking energy: -348.133
Base-Backbone interact. energy: -1.297
local terms energy: -335.612983
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -55.421
flat angles C4'-P-C4' energy: -62.830
flat angles P-C4'-P energy: -48.462
tors. eta vs tors. theta energy: -103.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1067.211679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.211679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.211679 (E_RNA)
where:
Base-Base interactions energy: -741.743
where: short stacking energy: -337.320
Base-Backbone interact. energy: 0.644
local terms energy: -326.112223
where:
bonds (distance) C4'-P energy: -52.452
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -72.110
flat angles P-C4'-P energy: -47.315
tors. eta vs tors. theta energy: -98.124
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: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1052.460700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.460700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.460700 (E_RNA)
where:
Base-Base interactions energy: -750.359
where: short stacking energy: -315.408
Base-Backbone interact. energy: -1.122
local terms energy: -300.980014
where:
bonds (distance) C4'-P energy: -49.213
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -67.541
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -86.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1013.260864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.260864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.260864 (E_RNA)
where:
Base-Base interactions energy: -710.842
where: short stacking energy: -292.966
Base-Backbone interact. energy: -0.750
local terms energy: -301.668190
where:
bonds (distance) C4'-P energy: -51.866
bonds (distance) P-C4' energy: -57.234
flat angles C4'-P-C4' energy: -65.664
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -84.633
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: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -938.618453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.618453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.618453 (E_RNA)
where:
Base-Base interactions energy: -655.384
where: short stacking energy: -308.669
Base-Backbone interact. energy: -0.077
local terms energy: -283.157101
where:
bonds (distance) C4'-P energy: -57.604
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -85.870
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: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -875.356254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.356254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.356254 (E_RNA)
where:
Base-Base interactions energy: -578.351
where: short stacking energy: -261.746
Base-Backbone interact. energy: -0.292
local terms energy: -296.712752
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -59.634
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -73.634
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -841.189930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.189930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.189930 (E_RNA)
where:
Base-Base interactions energy: -566.585
where: short stacking energy: -255.731
Base-Backbone interact. energy: -0.873
local terms energy: -273.732326
where:
bonds (distance) C4'-P energy: -58.877
bonds (distance) P-C4' energy: -49.785
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -71.213
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: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -776.942388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.942388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.942388 (E_RNA)
where:
Base-Base interactions energy: -539.582
where: short stacking energy: -228.268
Base-Backbone interact. energy: 2.354
local terms energy: -239.714600
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -61.205
flat angles C4'-P-C4' energy: -58.271
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -51.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -562.495428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.495428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.495428 (E_RNA)
where:
Base-Base interactions energy: -353.853
where: short stacking energy: -187.062
Base-Backbone interact. energy: 3.784
local terms energy: -212.426186
where:
bonds (distance) C4'-P energy: -60.747
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -27.643
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: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -370.777015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.777015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.777015 (E_RNA)
where:
Base-Base interactions energy: -196.188
where: short stacking energy: -109.594
Base-Backbone interact. energy: -1.257
local terms energy: -173.332616
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -41.676
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -8.336
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: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1150.270800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.270800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.270800 (E_RNA)
where:
Base-Base interactions energy: -819.918
where: short stacking energy: -332.665
Base-Backbone interact. energy: -1.324
local terms energy: -329.028430
where:
bonds (distance) C4'-P energy: -65.532
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -94.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1064.646816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.646816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.646816 (E_RNA)
where:
Base-Base interactions energy: -749.362
where: short stacking energy: -338.381
Base-Backbone interact. energy: -0.757
local terms energy: -314.527269
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -68.551
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -94.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1052.151562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.151562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.151562 (E_RNA)
where:
Base-Base interactions energy: -737.906
where: short stacking energy: -301.278
Base-Backbone interact. energy: 0.332
local terms energy: -314.577306
where:
bonds (distance) C4'-P energy: -64.682
bonds (distance) P-C4' energy: -59.917
flat angles C4'-P-C4' energy: -67.800
flat angles P-C4'-P energy: -39.939
tors. eta vs tors. theta energy: -82.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1028.090546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.090546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.090546 (E_RNA)
where:
Base-Base interactions energy: -716.491
where: short stacking energy: -300.748
Base-Backbone interact. energy: 0.051
local terms energy: -311.650611
where:
bonds (distance) C4'-P energy: -58.128
bonds (distance) P-C4' energy: -62.229
flat angles C4'-P-C4' energy: -65.163
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -88.275
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: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -946.508518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.508518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.508518 (E_RNA)
where:
Base-Base interactions energy: -638.117
where: short stacking energy: -278.909
Base-Backbone interact. energy: -2.033
local terms energy: -306.358295
where:
bonds (distance) C4'-P energy: -57.723
bonds (distance) P-C4' energy: -57.934
flat angles C4'-P-C4' energy: -65.579
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -82.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -869.258546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.258546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.258546 (E_RNA)
where:
Base-Base interactions energy: -605.696
where: short stacking energy: -277.456
Base-Backbone interact. energy: 0.970
local terms energy: -264.531867
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -50.433
flat angles C4'-P-C4' energy: -70.454
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -58.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -843.437651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.437651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.437651 (E_RNA)
where:
Base-Base interactions energy: -581.369
where: short stacking energy: -254.821
Base-Backbone interact. energy: -1.200
local terms energy: -260.869290
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -50.417
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -42.307
tors. eta vs tors. theta energy: -68.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -743.448832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.448832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.448832 (E_RNA)
where:
Base-Base interactions energy: -509.949
where: short stacking energy: -229.014
Base-Backbone interact. energy: -0.811
local terms energy: -232.689404
where:
bonds (distance) C4'-P energy: -39.911
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -58.644
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -50.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -589.015460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.015460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.015460 (E_RNA)
where:
Base-Base interactions energy: -372.371
where: short stacking energy: -188.956
Base-Backbone interact. energy: -1.306
local terms energy: -215.338061
where:
bonds (distance) C4'-P energy: -36.205
bonds (distance) P-C4' energy: -54.020
flat angles C4'-P-C4' energy: -50.030
flat angles P-C4'-P energy: -32.655
tors. eta vs tors. theta energy: -42.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -330.731423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.731423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.731423 (E_RNA)
where:
Base-Base interactions energy: -160.710
where: short stacking energy: -105.013
Base-Backbone interact. energy: 1.487
local terms energy: -171.508617
where:
bonds (distance) C4'-P energy: -45.182
bonds (distance) P-C4' energy: -55.235
flat angles C4'-P-C4' energy: -48.709
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1137.532795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.532795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.532795 (E_RNA)
where:
Base-Base interactions energy: -817.777
where: short stacking energy: -339.345
Base-Backbone interact. energy: -1.665
local terms energy: -318.090638
where:
bonds (distance) C4'-P energy: -59.659
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -75.116
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -94.177
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1071.523568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.523568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.523568 (E_RNA)
where:
Base-Base interactions energy: -759.661
where: short stacking energy: -311.468
Base-Backbone interact. energy: -2.149
local terms energy: -309.713071
where:
bonds (distance) C4'-P energy: -54.634
bonds (distance) P-C4' energy: -53.063
flat angles C4'-P-C4' energy: -70.413
flat angles P-C4'-P energy: -48.884
tors. eta vs tors. theta energy: -82.719
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: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1043.630571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.630571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.630571 (E_RNA)
where:
Base-Base interactions energy: -727.819
where: short stacking energy: -328.030
Base-Backbone interact. energy: -1.621
local terms energy: -314.190737
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -55.157
flat angles C4'-P-C4' energy: -60.698
flat angles P-C4'-P energy: -49.920
tors. eta vs tors. theta energy: -98.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1033.805120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.805120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.805120 (E_RNA)
where:
Base-Base interactions energy: -727.598
where: short stacking energy: -298.577
Base-Backbone interact. energy: -0.943
local terms energy: -305.264819
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -56.838
flat angles C4'-P-C4' energy: -65.346
flat angles P-C4'-P energy: -44.983
tors. eta vs tors. theta energy: -87.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -920.550288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.550288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.550288 (E_RNA)
where:
Base-Base interactions energy: -616.419
where: short stacking energy: -270.902
Base-Backbone interact. energy: 0.285
local terms energy: -304.416947
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -64.575
flat angles P-C4'-P energy: -49.468
tors. eta vs tors. theta energy: -78.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -848.286499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.286499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.286499 (E_RNA)
where:
Base-Base interactions energy: -583.991
where: short stacking energy: -264.644
Base-Backbone interact. energy: -0.900
local terms energy: -263.394962
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -52.871
flat angles C4'-P-C4' energy: -64.132
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -63.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -856.830745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.830745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.830745 (E_RNA)
where:
Base-Base interactions energy: -571.090
where: short stacking energy: -251.640
Base-Backbone interact. energy: -0.770
local terms energy: -284.970838
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -53.538
flat angles C4'-P-C4' energy: -64.576
flat angles P-C4'-P energy: -50.854
tors. eta vs tors. theta energy: -70.721
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -761.082681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.082681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.082681 (E_RNA)
where:
Base-Base interactions energy: -515.143
where: short stacking energy: -240.427
Base-Backbone interact. energy: -1.158
local terms energy: -244.781883
where:
bonds (distance) C4'-P energy: -58.174
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -58.420
flat angles P-C4'-P energy: -30.642
tors. eta vs tors. theta energy: -53.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -584.429728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.429728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.429728 (E_RNA)
where:
Base-Base interactions energy: -350.856
where: short stacking energy: -174.266
Base-Backbone interact. energy: 1.840
local terms energy: -235.414400
where:
bonds (distance) C4'-P energy: -55.829
bonds (distance) P-C4' energy: -55.327
flat angles C4'-P-C4' energy: -55.917
flat angles P-C4'-P energy: -35.480
tors. eta vs tors. theta energy: -32.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -356.642873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.642873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.642873 (E_RNA)
where:
Base-Base interactions energy: -174.943
where: short stacking energy: -121.054
Base-Backbone interact. energy: -1.249
local terms energy: -180.451405
where:
bonds (distance) C4'-P energy: -51.917
bonds (distance) P-C4' energy: -53.445
flat angles C4'-P-C4' energy: -43.942
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -7.867
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: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1141.902135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.902135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.902135 (E_RNA)
where:
Base-Base interactions energy: -816.402
where: short stacking energy: -335.626
Base-Backbone interact. energy: -1.419
local terms energy: -324.080953
where:
bonds (distance) C4'-P energy: -64.428
bonds (distance) P-C4' energy: -61.867
flat angles C4'-P-C4' energy: -66.877
flat angles P-C4'-P energy: -37.160
tors. eta vs tors. theta energy: -93.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1066.222900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.222900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.222900 (E_RNA)
where:
Base-Base interactions energy: -748.782
where: short stacking energy: -319.554
Base-Backbone interact. energy: -2.231
local terms energy: -315.209903
where:
bonds (distance) C4'-P energy: -60.611
bonds (distance) P-C4' energy: -59.077
flat angles C4'-P-C4' energy: -62.904
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -89.093
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: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1041.509982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.509982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.509982 (E_RNA)
where:
Base-Base interactions energy: -720.862
where: short stacking energy: -314.635
Base-Backbone interact. energy: -1.989
local terms energy: -318.659472
where:
bonds (distance) C4'-P energy: -56.358
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -61.448
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: -91.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1008.327388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.327388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.327388 (E_RNA)
where:
Base-Base interactions energy: -711.319
where: short stacking energy: -324.364
Base-Backbone interact. energy: -1.006
local terms energy: -296.002240
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -47.060
flat angles C4'-P-C4' energy: -65.765
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -90.664
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: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -911.871161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.871161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.871161 (E_RNA)
where:
Base-Base interactions energy: -613.888
where: short stacking energy: -288.700
Base-Backbone interact. energy: -2.186
local terms energy: -295.797140
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -55.488
flat angles C4'-P-C4' energy: -67.224
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -90.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -859.526230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.526230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.526230 (E_RNA)
where:
Base-Base interactions energy: -594.119
where: short stacking energy: -243.861
Base-Backbone interact. energy: -1.476
local terms energy: -263.931186
where:
bonds (distance) C4'-P energy: -47.149
bonds (distance) P-C4' energy: -45.298
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -66.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -846.617530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.617530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.617530 (E_RNA)
where:
Base-Base interactions energy: -571.418
where: short stacking energy: -245.522
Base-Backbone interact. energy: -1.332
local terms energy: -273.867136
where:
bonds (distance) C4'-P energy: -50.825
bonds (distance) P-C4' energy: -64.289
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -71.336
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: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -777.690174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.690174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.690174 (E_RNA)
where:
Base-Base interactions energy: -523.335
where: short stacking energy: -219.135
Base-Backbone interact. energy: -1.323
local terms energy: -253.032863
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -58.734
flat angles C4'-P-C4' energy: -52.616
flat angles P-C4'-P energy: -43.891
tors. eta vs tors. theta energy: -46.274
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: 416
Temperature: 1.300000
Total energy: -550.228837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.228837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.228837 (E_RNA)
where:
Base-Base interactions energy: -341.606
where: short stacking energy: -161.856
Base-Backbone interact. energy: -2.300
local terms energy: -206.322270
where:
bonds (distance) C4'-P energy: -56.066
bonds (distance) P-C4' energy: -46.494
flat angles C4'-P-C4' energy: -55.838
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -29.986
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: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -379.534415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.534415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.534415 (E_RNA)
where:
Base-Base interactions energy: -195.875
where: short stacking energy: -116.771
Base-Backbone interact. energy: -1.001
local terms energy: -182.658575
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -43.458
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1111.772234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.772234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.772234 (E_RNA)
where:
Base-Base interactions energy: -787.384
where: short stacking energy: -338.923
Base-Backbone interact. energy: -1.540
local terms energy: -322.847889
where:
bonds (distance) C4'-P energy: -51.288
bonds (distance) P-C4' energy: -62.656
flat angles C4'-P-C4' energy: -68.591
flat angles P-C4'-P energy: -42.278
tors. eta vs tors. theta energy: -98.034
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: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1070.918321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.918321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.918321 (E_RNA)
where:
Base-Base interactions energy: -757.369
where: short stacking energy: -320.593
Base-Backbone interact. energy: -2.243
local terms energy: -311.306747
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -55.119
flat angles C4'-P-C4' energy: -75.643
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -93.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1055.868240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.868240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.868240 (E_RNA)
where:
Base-Base interactions energy: -735.875
where: short stacking energy: -298.384
Base-Backbone interact. energy: -1.234
local terms energy: -318.759239
where:
bonds (distance) C4'-P energy: -69.003
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -62.261
flat angles P-C4'-P energy: -47.383
tors. eta vs tors. theta energy: -80.563
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: 417
Temperature: 1.050000
Total energy: -1041.599852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.599852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.599852 (E_RNA)
where:
Base-Base interactions energy: -727.566
where: short stacking energy: -319.750
Base-Backbone interact. energy: -0.927
local terms energy: -313.107393
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -57.912
flat angles C4'-P-C4' energy: -66.763
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -92.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -927.727406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.727406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.727406 (E_RNA)
where:
Base-Base interactions energy: -637.177
where: short stacking energy: -287.914
Base-Backbone interact. energy: -0.062
local terms energy: -290.487950
where:
bonds (distance) C4'-P energy: -56.858
bonds (distance) P-C4' energy: -54.054
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -77.721
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: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -892.874918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.874918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.874918 (E_RNA)
where:
Base-Base interactions energy: -600.415
where: short stacking energy: -262.055
Base-Backbone interact. energy: -0.483
local terms energy: -291.977466
where:
bonds (distance) C4'-P energy: -61.607
bonds (distance) P-C4' energy: -51.327
flat angles C4'-P-C4' energy: -64.864
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -75.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -842.705272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.705272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.705272 (E_RNA)
where:
Base-Base interactions energy: -574.446
where: short stacking energy: -252.419
Base-Backbone interact. energy: -1.811
local terms energy: -266.448284
where:
bonds (distance) C4'-P energy: -54.902
bonds (distance) P-C4' energy: -58.809
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -33.082
tors. eta vs tors. theta energy: -57.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -754.673516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.673516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.673516 (E_RNA)
where:
Base-Base interactions energy: -496.220
where: short stacking energy: -213.847
Base-Backbone interact. energy: -1.790
local terms energy: -256.663991
where:
bonds (distance) C4'-P energy: -60.327
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -62.345
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -39.525
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: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -542.141923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.141923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.141923 (E_RNA)
where:
Base-Base interactions energy: -321.294
where: short stacking energy: -151.334
Base-Backbone interact. energy: -1.075
local terms energy: -219.772965
where:
bonds (distance) C4'-P energy: -59.212
bonds (distance) P-C4' energy: -59.274
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -427.643999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.643999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.643999 (E_RNA)
where:
Base-Base interactions energy: -257.005
where: short stacking energy: -141.081
Base-Backbone interact. energy: 0.743
local terms energy: -171.382185
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -39.318
flat angles C4'-P-C4' energy: -43.985
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1126.190450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.190450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.190450 (E_RNA)
where:
Base-Base interactions energy: -796.227
where: short stacking energy: -333.533
Base-Backbone interact. energy: -1.454
local terms energy: -328.509694
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -71.957
flat angles P-C4'-P energy: -48.181
tors. eta vs tors. theta energy: -97.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1076.652758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.652758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.652758 (E_RNA)
where:
Base-Base interactions energy: -755.635
where: short stacking energy: -321.899
Base-Backbone interact. energy: 2.418
local terms energy: -323.436017
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -59.413
flat angles C4'-P-C4' energy: -68.351
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -95.026
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: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1036.212185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.212185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.212185 (E_RNA)
where:
Base-Base interactions energy: -730.825
where: short stacking energy: -291.420
Base-Backbone interact. energy: -2.304
local terms energy: -303.082619
where:
bonds (distance) C4'-P energy: -57.528
bonds (distance) P-C4' energy: -57.716
flat angles C4'-P-C4' energy: -66.876
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -72.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1006.384029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.384029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.384029 (E_RNA)
where:
Base-Base interactions energy: -712.282
where: short stacking energy: -309.782
Base-Backbone interact. energy: -0.900
local terms energy: -293.202068
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -59.459
flat angles P-C4'-P energy: -40.164
tors. eta vs tors. theta energy: -82.505
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: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -932.766990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.766990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.766990 (E_RNA)
where:
Base-Base interactions energy: -649.332
where: short stacking energy: -291.361
Base-Backbone interact. energy: -1.535
local terms energy: -281.900948
where:
bonds (distance) C4'-P energy: -52.989
bonds (distance) P-C4' energy: -50.466
flat angles C4'-P-C4' energy: -61.885
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -84.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -888.456048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.456048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.456048 (E_RNA)
where:
Base-Base interactions energy: -616.868
where: short stacking energy: -269.192
Base-Backbone interact. energy: -0.653
local terms energy: -270.935207
where:
bonds (distance) C4'-P energy: -47.787
bonds (distance) P-C4' energy: -56.883
flat angles C4'-P-C4' energy: -50.529
flat angles P-C4'-P energy: -40.089
tors. eta vs tors. theta energy: -75.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -827.876553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.876553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.876553 (E_RNA)
where:
Base-Base interactions energy: -553.788
where: short stacking energy: -241.096
Base-Backbone interact. energy: -2.169
local terms energy: -271.919775
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -65.816
flat angles C4'-P-C4' energy: -50.037
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -60.612
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: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -770.034641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.034641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.034641 (E_RNA)
where:
Base-Base interactions energy: -532.328
where: short stacking energy: -219.587
Base-Backbone interact. energy: 3.538
local terms energy: -241.244768
where:
bonds (distance) C4'-P energy: -51.901
bonds (distance) P-C4' energy: -52.418
flat angles C4'-P-C4' energy: -58.907
flat angles P-C4'-P energy: -32.778
tors. eta vs tors. theta energy: -45.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -575.925797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.925797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.925797 (E_RNA)
where:
Base-Base interactions energy: -359.906
where: short stacking energy: -165.215
Base-Backbone interact. energy: -0.664
local terms energy: -215.355635
where:
bonds (distance) C4'-P energy: -50.901
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -43.810
flat angles P-C4'-P energy: -36.668
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -411.701089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.701089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.701089 (E_RNA)
where:
Base-Base interactions energy: -237.359
where: short stacking energy: -136.043
Base-Backbone interact. energy: -1.376
local terms energy: -172.966789
where:
bonds (distance) C4'-P energy: -37.543
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -40.938
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1130.038019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.038019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.038019 (E_RNA)
where:
Base-Base interactions energy: -796.321
where: short stacking energy: -326.185
Base-Backbone interact. energy: -1.169
local terms energy: -332.548340
where:
bonds (distance) C4'-P energy: -63.128
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -64.700
flat angles P-C4'-P energy: -51.375
tors. eta vs tors. theta energy: -90.437
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1078.625036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.625036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.625036 (E_RNA)
where:
Base-Base interactions energy: -769.253
where: short stacking energy: -321.965
Base-Backbone interact. energy: 1.606
local terms energy: -310.977880
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -50.266
flat angles C4'-P-C4' energy: -67.248
flat angles P-C4'-P energy: -43.776
tors. eta vs tors. theta energy: -94.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1027.432262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.432262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.432262 (E_RNA)
where:
Base-Base interactions energy: -734.460
where: short stacking energy: -300.172
Base-Backbone interact. energy: -1.581
local terms energy: -291.391527
where:
bonds (distance) C4'-P energy: -48.556
bonds (distance) P-C4' energy: -64.124
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -39.929
tors. eta vs tors. theta energy: -77.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1023.927214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.927214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.927214 (E_RNA)
where:
Base-Base interactions energy: -699.957
where: short stacking energy: -325.752
Base-Backbone interact. energy: 1.010
local terms energy: -324.979341
where:
bonds (distance) C4'-P energy: -57.598
bonds (distance) P-C4' energy: -63.171
flat angles C4'-P-C4' energy: -67.533
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -93.991
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: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -958.695484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.695484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.695484 (E_RNA)
where:
Base-Base interactions energy: -663.557
where: short stacking energy: -309.086
Base-Backbone interact. energy: -1.842
local terms energy: -293.297206
where:
bonds (distance) C4'-P energy: -47.647
bonds (distance) P-C4' energy: -50.853
flat angles C4'-P-C4' energy: -61.418
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -87.685
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: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -931.097462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.097462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.097462 (E_RNA)
where:
Base-Base interactions energy: -635.344
where: short stacking energy: -285.572
Base-Backbone interact. energy: -0.942
local terms energy: -294.811680
where:
bonds (distance) C4'-P energy: -52.727
bonds (distance) P-C4' energy: -51.940
flat angles C4'-P-C4' energy: -68.208
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -84.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -838.528017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.528017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.528017 (E_RNA)
where:
Base-Base interactions energy: -574.262
where: short stacking energy: -245.927
Base-Backbone interact. energy: -0.893
local terms energy: -263.372856
where:
bonds (distance) C4'-P energy: -56.886
bonds (distance) P-C4' energy: -51.217
flat angles C4'-P-C4' energy: -60.752
flat angles P-C4'-P energy: -31.109
tors. eta vs tors. theta energy: -63.409
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: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -726.870921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.870921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.870921 (E_RNA)
where:
Base-Base interactions energy: -472.455
where: short stacking energy: -205.022
Base-Backbone interact. energy: 0.285
local terms energy: -254.700118
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -61.832
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -52.733
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: 419
Temperature: 1.300000
Total energy: -575.766507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.766507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.766507 (E_RNA)
where:
Base-Base interactions energy: -370.133
where: short stacking energy: -159.751
Base-Backbone interact. energy: 1.471
local terms energy: -207.104122
where:
bonds (distance) C4'-P energy: -47.578
bonds (distance) P-C4' energy: -46.861
flat angles C4'-P-C4' energy: -55.055
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -33.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -405.045095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.045095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.045095 (E_RNA)
where:
Base-Base interactions energy: -223.574
where: short stacking energy: -129.476
Base-Backbone interact. energy: 0.599
local terms energy: -182.069618
where:
bonds (distance) C4'-P energy: -50.253
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -40.969
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1125.581346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.581346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.581346 (E_RNA)
where:
Base-Base interactions energy: -796.935
where: short stacking energy: -338.670
Base-Backbone interact. energy: -0.644
local terms energy: -328.002928
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -58.590
flat angles C4'-P-C4' energy: -73.806
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -94.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1062.263129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.263129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.263129 (E_RNA)
where:
Base-Base interactions energy: -748.062
where: short stacking energy: -325.417
Base-Backbone interact. energy: -3.763
local terms energy: -310.438435
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -63.603
flat angles C4'-P-C4' energy: -66.298
flat angles P-C4'-P energy: -45.120
tors. eta vs tors. theta energy: -91.954
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: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1044.046393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.046393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.046393 (E_RNA)
where:
Base-Base interactions energy: -729.964
where: short stacking energy: -333.427
Base-Backbone interact. energy: -1.914
local terms energy: -312.167974
where:
bonds (distance) C4'-P energy: -46.875
bonds (distance) P-C4' energy: -64.345
flat angles C4'-P-C4' energy: -57.785
flat angles P-C4'-P energy: -50.140
tors. eta vs tors. theta energy: -93.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1005.594113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.594113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.594113 (E_RNA)
where:
Base-Base interactions energy: -686.808
where: short stacking energy: -281.530
Base-Backbone interact. energy: -1.321
local terms energy: -317.465041
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -55.611
flat angles C4'-P-C4' energy: -69.261
flat angles P-C4'-P energy: -52.327
tors. eta vs tors. theta energy: -82.857
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: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -932.733260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.733260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.733260 (E_RNA)
where:
Base-Base interactions energy: -644.913
where: short stacking energy: -282.975
Base-Backbone interact. energy: 0.676
local terms energy: -288.496497
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -51.888
tors. eta vs tors. theta energy: -78.394
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: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -889.180300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.180300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.180300 (E_RNA)
where:
Base-Base interactions energy: -608.731
where: short stacking energy: -259.335
Base-Backbone interact. energy: -0.720
local terms energy: -279.728593
where:
bonds (distance) C4'-P energy: -55.423
bonds (distance) P-C4' energy: -59.979
flat angles C4'-P-C4' energy: -55.723
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -65.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -766.886723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.886723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.886723 (E_RNA)
where:
Base-Base interactions energy: -523.151
where: short stacking energy: -235.498
Base-Backbone interact. energy: -1.469
local terms energy: -242.266762
where:
bonds (distance) C4'-P energy: -49.552
bonds (distance) P-C4' energy: -38.744
flat angles C4'-P-C4' energy: -60.707
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: -55.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -833.977889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.977889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.977889 (E_RNA)
where:
Base-Base interactions energy: -564.212
where: short stacking energy: -255.557
Base-Backbone interact. energy: -0.439
local terms energy: -269.326552
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -61.501
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -68.736
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: 420
Temperature: 1.300000
Total energy: -631.184581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.184581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.184581 (E_RNA)
where:
Base-Base interactions energy: -417.067
where: short stacking energy: -185.062
Base-Backbone interact. energy: -1.046
local terms energy: -213.072318
where:
bonds (distance) C4'-P energy: -46.170
bonds (distance) P-C4' energy: -45.427
flat angles C4'-P-C4' energy: -52.761
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -35.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -435.554195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.554195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.554195 (E_RNA)
where:
Base-Base interactions energy: -243.952
where: short stacking energy: -132.133
Base-Backbone interact. energy: 0.730
local terms energy: -192.332082
where:
bonds (distance) C4'-P energy: -50.472
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -44.892
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -16.914
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: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1115.589596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.589596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.589596 (E_RNA)
where:
Base-Base interactions energy: -793.183
where: short stacking energy: -333.742
Base-Backbone interact. energy: -2.073
local terms energy: -320.333734
where:
bonds (distance) C4'-P energy: -66.847
bonds (distance) P-C4' energy: -54.069
flat angles C4'-P-C4' energy: -61.294
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -94.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1070.064955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.064955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.064955 (E_RNA)
where:
Base-Base interactions energy: -745.186
where: short stacking energy: -335.411
Base-Backbone interact. energy: -2.023
local terms energy: -322.855062
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -72.368
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -94.743
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1032.289809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.289809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.289809 (E_RNA)
where:
Base-Base interactions energy: -723.808
where: short stacking energy: -330.911
Base-Backbone interact. energy: 0.438
local terms energy: -308.919370
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -59.980
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: -92.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -992.334106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.334106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.334106 (E_RNA)
where:
Base-Base interactions energy: -706.758
where: short stacking energy: -288.675
Base-Backbone interact. energy: -1.371
local terms energy: -284.205041
where:
bonds (distance) C4'-P energy: -57.822
bonds (distance) P-C4' energy: -49.097
flat angles C4'-P-C4' energy: -62.078
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -75.934
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: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -938.476425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.476425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.476425 (E_RNA)
where:
Base-Base interactions energy: -631.277
where: short stacking energy: -290.267
Base-Backbone interact. energy: -0.529
local terms energy: -306.670280
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -60.000
flat angles C4'-P-C4' energy: -65.765
flat angles P-C4'-P energy: -40.671
tors. eta vs tors. theta energy: -87.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -860.823978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.823978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.823978 (E_RNA)
where:
Base-Base interactions energy: -599.203
where: short stacking energy: -252.261
Base-Backbone interact. energy: 1.790
local terms energy: -263.410670
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -56.630
flat angles P-C4'-P energy: -38.109
tors. eta vs tors. theta energy: -70.864
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: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -772.280810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.280810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.280810 (E_RNA)
where:
Base-Base interactions energy: -529.448
where: short stacking energy: -241.398
Base-Backbone interact. energy: 0.891
local terms energy: -243.723894
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -49.707
flat angles C4'-P-C4' energy: -45.637
flat angles P-C4'-P energy: -44.356
tors. eta vs tors. theta energy: -55.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -831.748654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.748654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.748654 (E_RNA)
where:
Base-Base interactions energy: -578.544
where: short stacking energy: -254.492
Base-Backbone interact. energy: -0.472
local terms energy: -252.732803
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -55.968
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -69.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -602.378822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.378822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.378822 (E_RNA)
where:
Base-Base interactions energy: -382.639
where: short stacking energy: -172.794
Base-Backbone interact. energy: -1.270
local terms energy: -218.470177
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -59.968
flat angles C4'-P-C4' energy: -46.069
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -479.172008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.172008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.172008 (E_RNA)
where:
Base-Base interactions energy: -274.433
where: short stacking energy: -137.525
Base-Backbone interact. energy: -0.988
local terms energy: -203.751813
where:
bonds (distance) C4'-P energy: -56.785
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -38.584
flat angles P-C4'-P energy: -39.524
tors. eta vs tors. theta energy: -20.039
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: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1114.820315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.820315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.820315 (E_RNA)
where:
Base-Base interactions energy: -788.816
where: short stacking energy: -328.920
Base-Backbone interact. energy: -2.080
local terms energy: -323.924931
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -56.152
flat angles C4'-P-C4' energy: -69.275
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: -93.011
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: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1092.705777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.705777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.705777 (E_RNA)
where:
Base-Base interactions energy: -758.933
where: short stacking energy: -319.100
Base-Backbone interact. energy: -2.291
local terms energy: -331.482572
where:
bonds (distance) C4'-P energy: -54.770
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -49.230
tors. eta vs tors. theta energy: -99.957
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: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1030.144421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.144421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.144421 (E_RNA)
where:
Base-Base interactions energy: -712.480
where: short stacking energy: -322.358
Base-Backbone interact. energy: 0.870
local terms energy: -318.534767
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -57.513
flat angles C4'-P-C4' energy: -66.089
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -93.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1012.338534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.338534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.338534 (E_RNA)
where:
Base-Base interactions energy: -710.730
where: short stacking energy: -294.893
Base-Backbone interact. energy: 1.540
local terms energy: -303.148898
where:
bonds (distance) C4'-P energy: -48.735
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -72.888
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -80.865
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: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -989.516879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.516879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.516879 (E_RNA)
where:
Base-Base interactions energy: -668.603
where: short stacking energy: -302.296
Base-Backbone interact. energy: -1.368
local terms energy: -319.546267
where:
bonds (distance) C4'-P energy: -56.593
bonds (distance) P-C4' energy: -67.222
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -86.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -876.794152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.794152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.794152 (E_RNA)
where:
Base-Base interactions energy: -606.723
where: short stacking energy: -263.633
Base-Backbone interact. energy: 1.071
local terms energy: -271.142096
where:
bonds (distance) C4'-P energy: -45.835
bonds (distance) P-C4' energy: -62.039
flat angles C4'-P-C4' energy: -64.285
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -73.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -830.466385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.466385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.466385 (E_RNA)
where:
Base-Base interactions energy: -555.116
where: short stacking energy: -247.633
Base-Backbone interact. energy: -0.811
local terms energy: -274.539263
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -54.917
flat angles C4'-P-C4' energy: -58.768
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -59.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -753.891679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.891679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.891679 (E_RNA)
where:
Base-Base interactions energy: -509.261
where: short stacking energy: -229.571
Base-Backbone interact. energy: 0.375
local terms energy: -245.006195
where:
bonds (distance) C4'-P energy: -48.170
bonds (distance) P-C4' energy: -56.172
flat angles C4'-P-C4' energy: -57.564
flat angles P-C4'-P energy: -31.772
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: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -668.902773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.902773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.902773 (E_RNA)
where:
Base-Base interactions energy: -461.499
where: short stacking energy: -199.140
Base-Backbone interact. energy: 3.638
local terms energy: -211.041472
where:
bonds (distance) C4'-P energy: -47.315
bonds (distance) P-C4' energy: -50.663
flat angles C4'-P-C4' energy: -43.748
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -39.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -505.912562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.912562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.912562 (E_RNA)
where:
Base-Base interactions energy: -295.662
where: short stacking energy: -153.185
Base-Backbone interact. energy: -1.024
local terms energy: -209.226212
where:
bonds (distance) C4'-P energy: -46.621
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -47.835
flat angles P-C4'-P energy: -38.581
tors. eta vs tors. theta energy: -24.700
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: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1128.330848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.330848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.330848 (E_RNA)
where:
Base-Base interactions energy: -797.784
where: short stacking energy: -337.519
Base-Backbone interact. energy: -0.441
local terms energy: -330.105727
where:
bonds (distance) C4'-P energy: -59.509
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -45.344
tors. eta vs tors. theta energy: -97.433
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1062.415562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.415562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.415562 (E_RNA)
where:
Base-Base interactions energy: -736.531
where: short stacking energy: -331.667
Base-Backbone interact. energy: -0.933
local terms energy: -324.951736
where:
bonds (distance) C4'-P energy: -62.003
bonds (distance) P-C4' energy: -53.810
flat angles C4'-P-C4' energy: -65.395
flat angles P-C4'-P energy: -48.388
tors. eta vs tors. theta energy: -95.355
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: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1055.436458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.436458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.436458 (E_RNA)
where:
Base-Base interactions energy: -741.466
where: short stacking energy: -331.476
Base-Backbone interact. energy: 0.641
local terms energy: -314.612144
where:
bonds (distance) C4'-P energy: -65.988
bonds (distance) P-C4' energy: -55.236
flat angles C4'-P-C4' energy: -66.351
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -92.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -993.712164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.712164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.712164 (E_RNA)
where:
Base-Base interactions energy: -687.356
where: short stacking energy: -282.389
Base-Backbone interact. energy: -1.942
local terms energy: -304.414875
where:
bonds (distance) C4'-P energy: -60.509
bonds (distance) P-C4' energy: -64.278
flat angles C4'-P-C4' energy: -68.250
flat angles P-C4'-P energy: -34.490
tors. eta vs tors. theta energy: -76.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -962.294290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.294290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.294290 (E_RNA)
where:
Base-Base interactions energy: -648.172
where: short stacking energy: -295.138
Base-Backbone interact. energy: -1.349
local terms energy: -312.773783
where:
bonds (distance) C4'-P energy: -56.370
bonds (distance) P-C4' energy: -62.038
flat angles C4'-P-C4' energy: -62.903
flat angles P-C4'-P energy: -46.335
tors. eta vs tors. theta energy: -85.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -885.711443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.711443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.711443 (E_RNA)
where:
Base-Base interactions energy: -612.605
where: short stacking energy: -278.400
Base-Backbone interact. energy: -1.771
local terms energy: -271.335195
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -57.212
flat angles P-C4'-P energy: -33.032
tors. eta vs tors. theta energy: -76.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -842.375655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.375655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.375655 (E_RNA)
where:
Base-Base interactions energy: -578.099
where: short stacking energy: -240.036
Base-Backbone interact. energy: -1.949
local terms energy: -262.327316
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -49.387
flat angles C4'-P-C4' energy: -57.864
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: -63.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -713.478555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.478555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.478555 (E_RNA)
where:
Base-Base interactions energy: -488.462
where: short stacking energy: -218.803
Base-Backbone interact. energy: -1.572
local terms energy: -223.445404
where:
bonds (distance) C4'-P energy: -42.618
bonds (distance) P-C4' energy: -49.253
flat angles C4'-P-C4' energy: -55.050
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -47.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -647.842722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.842722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.842722 (E_RNA)
where:
Base-Base interactions energy: -420.719
where: short stacking energy: -183.210
Base-Backbone interact. energy: -1.767
local terms energy: -225.357049
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -50.612
flat angles C4'-P-C4' energy: -53.388
flat angles P-C4'-P energy: -34.996
tors. eta vs tors. theta energy: -35.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -480.022072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.022072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.022072 (E_RNA)
where:
Base-Base interactions energy: -297.938
where: short stacking energy: -145.361
Base-Backbone interact. energy: -2.660
local terms energy: -179.423861
where:
bonds (distance) C4'-P energy: -51.381
bonds (distance) P-C4' energy: -50.081
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1132.107452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.107452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.107452 (E_RNA)
where:
Base-Base interactions energy: -786.878
where: short stacking energy: -341.113
Base-Backbone interact. energy: -3.547
local terms energy: -341.682491
where:
bonds (distance) C4'-P energy: -64.977
bonds (distance) P-C4' energy: -64.580
flat angles C4'-P-C4' energy: -67.306
flat angles P-C4'-P energy: -52.975
tors. eta vs tors. theta energy: -91.845
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: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1072.863131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.863131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.863131 (E_RNA)
where:
Base-Base interactions energy: -738.953
where: short stacking energy: -289.148
Base-Backbone interact. energy: -1.649
local terms energy: -332.261304
where:
bonds (distance) C4'-P energy: -65.924
bonds (distance) P-C4' energy: -66.854
flat angles C4'-P-C4' energy: -65.841
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -93.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1034.619162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.619162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.619162 (E_RNA)
where:
Base-Base interactions energy: -717.404
where: short stacking energy: -311.201
Base-Backbone interact. energy: -1.250
local terms energy: -315.964791
where:
bonds (distance) C4'-P energy: -57.511
bonds (distance) P-C4' energy: -60.757
flat angles C4'-P-C4' energy: -67.175
flat angles P-C4'-P energy: -45.121
tors. eta vs tors. theta energy: -85.401
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: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1014.748965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.748965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.748965 (E_RNA)
where:
Base-Base interactions energy: -721.646
where: short stacking energy: -291.506
Base-Backbone interact. energy: 2.847
local terms energy: -295.949785
where:
bonds (distance) C4'-P energy: -46.462
bonds (distance) P-C4' energy: -65.748
flat angles C4'-P-C4' energy: -61.581
flat angles P-C4'-P energy: -45.731
tors. eta vs tors. theta energy: -76.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -953.567422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.567422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.567422 (E_RNA)
where:
Base-Base interactions energy: -666.261
where: short stacking energy: -307.674
Base-Backbone interact. energy: -1.702
local terms energy: -285.605208
where:
bonds (distance) C4'-P energy: -48.853
bonds (distance) P-C4' energy: -47.523
flat angles C4'-P-C4' energy: -62.490
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -84.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -882.301533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.301533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.301533 (E_RNA)
where:
Base-Base interactions energy: -597.764
where: short stacking energy: -262.104
Base-Backbone interact. energy: -1.684
local terms energy: -282.854198
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -62.342
flat angles P-C4'-P energy: -33.671
tors. eta vs tors. theta energy: -78.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -860.984700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.984700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.984700 (E_RNA)
where:
Base-Base interactions energy: -606.191
where: short stacking energy: -255.531
Base-Backbone interact. energy: 1.687
local terms energy: -256.481131
where:
bonds (distance) C4'-P energy: -53.086
bonds (distance) P-C4' energy: -50.254
flat angles C4'-P-C4' energy: -56.733
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -60.366
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: 424
Temperature: 1.250000
Total energy: -730.582049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.582049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.582049 (E_RNA)
where:
Base-Base interactions energy: -502.289
where: short stacking energy: -201.969
Base-Backbone interact. energy: -2.113
local terms energy: -226.179895
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -53.928
flat angles P-C4'-P energy: -33.970
tors. eta vs tors. theta energy: -40.459
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: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -678.298176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.298176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.298176 (E_RNA)
where:
Base-Base interactions energy: -438.375
where: short stacking energy: -201.314
Base-Backbone interact. energy: 2.350
local terms energy: -242.272916
where:
bonds (distance) C4'-P energy: -40.708
bonds (distance) P-C4' energy: -57.492
flat angles C4'-P-C4' energy: -57.073
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -51.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -487.808091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.808091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.808091 (E_RNA)
where:
Base-Base interactions energy: -296.739
where: short stacking energy: -131.363
Base-Backbone interact. energy: 4.506
local terms energy: -195.575244
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -28.357
tors. eta vs tors. theta energy: -14.053
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: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1122.809638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.809638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.809638 (E_RNA)
where:
Base-Base interactions energy: -776.338
where: short stacking energy: -336.640
Base-Backbone interact. energy: -1.236
local terms energy: -345.235905
where:
bonds (distance) C4'-P energy: -64.378
bonds (distance) P-C4' energy: -68.709
flat angles C4'-P-C4' energy: -70.594
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -93.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1060.482480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.482480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.482480 (E_RNA)
where:
Base-Base interactions energy: -729.868
where: short stacking energy: -317.120
Base-Backbone interact. energy: 0.555
local terms energy: -331.170136
where:
bonds (distance) C4'-P energy: -57.251
bonds (distance) P-C4' energy: -61.082
flat angles C4'-P-C4' energy: -68.483
flat angles P-C4'-P energy: -41.720
tors. eta vs tors. theta energy: -102.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1051.066301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.066301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.066301 (E_RNA)
where:
Base-Base interactions energy: -741.583
where: short stacking energy: -330.103
Base-Backbone interact. energy: 0.217
local terms energy: -309.700399
where:
bonds (distance) C4'-P energy: -55.699
bonds (distance) P-C4' energy: -59.737
flat angles C4'-P-C4' energy: -56.766
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -95.043
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: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1011.319392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.319392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.319392 (E_RNA)
where:
Base-Base interactions energy: -690.549
where: short stacking energy: -297.172
Base-Backbone interact. energy: 2.487
local terms energy: -323.257200
where:
bonds (distance) C4'-P energy: -63.621
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -71.895
flat angles P-C4'-P energy: -42.406
tors. eta vs tors. theta energy: -86.547
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -955.831945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.831945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.831945 (E_RNA)
where:
Base-Base interactions energy: -655.728
where: short stacking energy: -292.298
Base-Backbone interact. energy: 0.655
local terms energy: -300.759170
where:
bonds (distance) C4'-P energy: -43.538
bonds (distance) P-C4' energy: -64.663
flat angles C4'-P-C4' energy: -55.312
flat angles P-C4'-P energy: -48.416
tors. eta vs tors. theta energy: -88.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -882.992184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.992184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.992184 (E_RNA)
where:
Base-Base interactions energy: -610.008
where: short stacking energy: -270.582
Base-Backbone interact. energy: -0.578
local terms energy: -272.406150
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -59.999
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: -65.212
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: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -836.758045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.758045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.758045 (E_RNA)
where:
Base-Base interactions energy: -568.540
where: short stacking energy: -249.220
Base-Backbone interact. energy: -1.304
local terms energy: -266.913638
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -56.316
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -68.278
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: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -750.620984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.620984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.620984 (E_RNA)
where:
Base-Base interactions energy: -502.252
where: short stacking energy: -219.967
Base-Backbone interact. energy: -1.172
local terms energy: -247.197142
where:
bonds (distance) C4'-P energy: -54.680
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -36.637
tors. eta vs tors. theta energy: -47.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -654.076999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.076999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.076999 (E_RNA)
where:
Base-Base interactions energy: -421.446
where: short stacking energy: -185.464
Base-Backbone interact. energy: -1.234
local terms energy: -231.396288
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -55.857
flat angles C4'-P-C4' energy: -49.972
flat angles P-C4'-P energy: -42.318
tors. eta vs tors. theta energy: -47.899
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: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -463.884174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.884174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.884174 (E_RNA)
where:
Base-Base interactions energy: -281.387
where: short stacking energy: -134.931
Base-Backbone interact. energy: 0.567
local terms energy: -183.064331
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -43.018
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -6.255
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: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1124.709156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.709156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.709156 (E_RNA)
where:
Base-Base interactions energy: -790.855
where: short stacking energy: -343.729
Base-Backbone interact. energy: -3.232
local terms energy: -330.622448
where:
bonds (distance) C4'-P energy: -63.831
bonds (distance) P-C4' energy: -55.284
flat angles C4'-P-C4' energy: -65.715
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -92.312
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: 426
Temperature: 0.950000
Total energy: -1076.740084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.740084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.740084 (E_RNA)
where:
Base-Base interactions energy: -753.788
where: short stacking energy: -333.385
Base-Backbone interact. energy: -1.961
local terms energy: -320.990173
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -57.345
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -49.359
tors. eta vs tors. theta energy: -93.206
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: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1066.128489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.128489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.128489 (E_RNA)
where:
Base-Base interactions energy: -729.522
where: short stacking energy: -328.567
Base-Backbone interact. energy: -0.278
local terms energy: -336.328586
where:
bonds (distance) C4'-P energy: -64.613
bonds (distance) P-C4' energy: -62.964
flat angles C4'-P-C4' energy: -68.736
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -97.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1026.838512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.838512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.838512 (E_RNA)
where:
Base-Base interactions energy: -721.763
where: short stacking energy: -291.788
Base-Backbone interact. energy: -3.975
local terms energy: -301.101252
where:
bonds (distance) C4'-P energy: -47.493
bonds (distance) P-C4' energy: -65.337
flat angles C4'-P-C4' energy: -64.369
flat angles P-C4'-P energy: -47.641
tors. eta vs tors. theta energy: -76.261
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: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -964.509889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.509889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.509889 (E_RNA)
where:
Base-Base interactions energy: -666.875
where: short stacking energy: -308.549
Base-Backbone interact. energy: -0.858
local terms energy: -296.777676
where:
bonds (distance) C4'-P energy: -57.708
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -61.379
flat angles P-C4'-P energy: -43.429
tors. eta vs tors. theta energy: -85.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -919.860090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.860090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.860090 (E_RNA)
where:
Base-Base interactions energy: -624.741
where: short stacking energy: -270.422
Base-Backbone interact. energy: -0.648
local terms energy: -294.471825
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -65.081
flat angles P-C4'-P energy: -44.699
tors. eta vs tors. theta energy: -72.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -829.447284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.447284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.447284 (E_RNA)
where:
Base-Base interactions energy: -582.669
where: short stacking energy: -265.489
Base-Backbone interact. energy: 0.371
local terms energy: -247.149479
where:
bonds (distance) C4'-P energy: -53.544
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -45.441
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -67.600
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: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -779.709891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.709891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.709891 (E_RNA)
where:
Base-Base interactions energy: -539.141
where: short stacking energy: -237.026
Base-Backbone interact. energy: -1.426
local terms energy: -239.143086
where:
bonds (distance) C4'-P energy: -49.059
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -52.745
flat angles P-C4'-P energy: -33.220
tors. eta vs tors. theta energy: -59.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -632.189182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.189182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.189182 (E_RNA)
where:
Base-Base interactions energy: -418.003
where: short stacking energy: -181.120
Base-Backbone interact. energy: -1.522
local terms energy: -212.664813
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -53.970
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -32.425
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: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -419.407306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.407306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.407306 (E_RNA)
where:
Base-Base interactions energy: -255.866
where: short stacking energy: -106.614
Base-Backbone interact. energy: -0.736
local terms energy: -162.805161
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -43.318
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: 8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1131.591879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.591879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.591879 (E_RNA)
where:
Base-Base interactions energy: -793.293
where: short stacking energy: -335.904
Base-Backbone interact. energy: -2.994
local terms energy: -335.305782
where:
bonds (distance) C4'-P energy: -62.070
bonds (distance) P-C4' energy: -63.347
flat angles C4'-P-C4' energy: -72.552
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -95.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1088.307394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.307394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.307394 (E_RNA)
where:
Base-Base interactions energy: -762.705
where: short stacking energy: -337.702
Base-Backbone interact. energy: -0.599
local terms energy: -325.003495
where:
bonds (distance) C4'-P energy: -56.072
bonds (distance) P-C4' energy: -57.326
flat angles C4'-P-C4' energy: -69.342
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -97.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1030.867239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.867239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.867239 (E_RNA)
where:
Base-Base interactions energy: -713.858
where: short stacking energy: -301.352
Base-Backbone interact. energy: -1.729
local terms energy: -315.280339
where:
bonds (distance) C4'-P energy: -51.513
bonds (distance) P-C4' energy: -66.863
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -44.797
tors. eta vs tors. theta energy: -90.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -996.651320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.651320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.651320 (E_RNA)
where:
Base-Base interactions energy: -698.458
where: short stacking energy: -284.765
Base-Backbone interact. energy: 3.182
local terms energy: -301.374576
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -62.255
flat angles C4'-P-C4' energy: -65.378
flat angles P-C4'-P energy: -52.514
tors. eta vs tors. theta energy: -73.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -938.671433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.671433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.671433 (E_RNA)
where:
Base-Base interactions energy: -645.289
where: short stacking energy: -293.139
Base-Backbone interact. energy: -0.639
local terms energy: -292.743782
where:
bonds (distance) C4'-P energy: -55.090
bonds (distance) P-C4' energy: -52.584
flat angles C4'-P-C4' energy: -67.011
flat angles P-C4'-P energy: -35.324
tors. eta vs tors. theta energy: -82.736
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: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -900.770126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.770126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.770126 (E_RNA)
where:
Base-Base interactions energy: -626.208
where: short stacking energy: -273.393
Base-Backbone interact. energy: -0.964
local terms energy: -273.598424
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -56.416
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -71.270
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: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -762.065347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.065347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.065347 (E_RNA)
where:
Base-Base interactions energy: -506.713
where: short stacking energy: -209.158
Base-Backbone interact. energy: 0.737
local terms energy: -256.089531
where:
bonds (distance) C4'-P energy: -54.013
bonds (distance) P-C4' energy: -60.012
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -49.799
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: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -781.814608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.814608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.814608 (E_RNA)
where:
Base-Base interactions energy: -529.182
where: short stacking energy: -223.287
Base-Backbone interact. energy: 0.992
local terms energy: -253.623892
where:
bonds (distance) C4'-P energy: -43.679
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -58.839
flat angles P-C4'-P energy: -39.330
tors. eta vs tors. theta energy: -63.542
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: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -701.463247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.463247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.463247 (E_RNA)
where:
Base-Base interactions energy: -465.772
where: short stacking energy: -203.639
Base-Backbone interact. energy: -0.932
local terms energy: -234.758926
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -60.840
flat angles C4'-P-C4' energy: -62.606
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -37.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -464.991877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.991877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.991877 (E_RNA)
where:
Base-Base interactions energy: -272.408
where: short stacking energy: -124.441
Base-Backbone interact. energy: -1.127
local terms energy: -191.457328
where:
bonds (distance) C4'-P energy: -50.813
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -41.443
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -5.940
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: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1125.215185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.215185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.215185 (E_RNA)
where:
Base-Base interactions energy: -788.099
where: short stacking energy: -323.901
Base-Backbone interact. energy: -1.673
local terms energy: -335.443602
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -64.103
flat angles C4'-P-C4' energy: -66.319
flat angles P-C4'-P energy: -47.197
tors. eta vs tors. theta energy: -92.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1082.116775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.116775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.116775 (E_RNA)
where:
Base-Base interactions energy: -737.260
where: short stacking energy: -335.745
Base-Backbone interact. energy: -0.092
local terms energy: -344.764923
where:
bonds (distance) C4'-P energy: -61.500
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -74.056
flat angles P-C4'-P energy: -49.427
tors. eta vs tors. theta energy: -97.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1035.101715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.101715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.101715 (E_RNA)
where:
Base-Base interactions energy: -709.898
where: short stacking energy: -300.055
Base-Backbone interact. energy: 0.695
local terms energy: -325.899077
where:
bonds (distance) C4'-P energy: -59.826
bonds (distance) P-C4' energy: -69.763
flat angles C4'-P-C4' energy: -68.674
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -85.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -994.592407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.592407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.592407 (E_RNA)
where:
Base-Base interactions energy: -698.436
where: short stacking energy: -283.684
Base-Backbone interact. energy: -0.408
local terms energy: -295.748090
where:
bonds (distance) C4'-P energy: -58.217
bonds (distance) P-C4' energy: -46.638
flat angles C4'-P-C4' energy: -60.430
flat angles P-C4'-P energy: -47.656
tors. eta vs tors. theta energy: -82.807
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: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -972.142665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.142665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.142665 (E_RNA)
where:
Base-Base interactions energy: -665.629
where: short stacking energy: -301.094
Base-Backbone interact. energy: -0.073
local terms energy: -306.440424
where:
bonds (distance) C4'-P energy: -53.978
bonds (distance) P-C4' energy: -63.108
flat angles C4'-P-C4' energy: -65.158
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -91.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -888.948495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.948495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.948495 (E_RNA)
where:
Base-Base interactions energy: -622.049
where: short stacking energy: -269.014
Base-Backbone interact. energy: 2.998
local terms energy: -269.897384
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -63.433
flat angles P-C4'-P energy: -38.441
tors. eta vs tors. theta energy: -68.196
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -801.777233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.777233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.777233 (E_RNA)
where:
Base-Base interactions energy: -547.268
where: short stacking energy: -255.173
Base-Backbone interact. energy: -0.918
local terms energy: -253.591389
where:
bonds (distance) C4'-P energy: -42.192
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -51.539
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: -68.305
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -745.443167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.443167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.443167 (E_RNA)
where:
Base-Base interactions energy: -486.688
where: short stacking energy: -200.749
Base-Backbone interact. energy: -0.520
local terms energy: -258.234567
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -66.512
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -34.210
tors. eta vs tors. theta energy: -51.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -657.986209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.986209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.986209 (E_RNA)
where:
Base-Base interactions energy: -426.386
where: short stacking energy: -188.756
Base-Backbone interact. energy: -0.048
local terms energy: -231.552039
where:
bonds (distance) C4'-P energy: -46.430
bonds (distance) P-C4' energy: -56.407
flat angles C4'-P-C4' energy: -50.695
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -40.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -469.336541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.336541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.336541 (E_RNA)
where:
Base-Base interactions energy: -300.508
where: short stacking energy: -147.757
Base-Backbone interact. energy: -0.068
local terms energy: -168.760816
where:
bonds (distance) C4'-P energy: -33.877
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -9.994
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: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1150.893422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.893422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.893422 (E_RNA)
where:
Base-Base interactions energy: -821.287
where: short stacking energy: -340.620
Base-Backbone interact. energy: -1.753
local terms energy: -327.853565
where:
bonds (distance) C4'-P energy: -60.346
bonds (distance) P-C4' energy: -55.449
flat angles C4'-P-C4' energy: -69.381
flat angles P-C4'-P energy: -41.873
tors. eta vs tors. theta energy: -100.803
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: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1073.824204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.824204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.824204 (E_RNA)
where:
Base-Base interactions energy: -742.778
where: short stacking energy: -338.588
Base-Backbone interact. energy: 0.923
local terms energy: -331.969199
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -60.875
flat angles C4'-P-C4' energy: -73.110
flat angles P-C4'-P energy: -45.898
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: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1032.366284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.366284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.366284 (E_RNA)
where:
Base-Base interactions energy: -723.539
where: short stacking energy: -305.985
Base-Backbone interact. energy: -2.262
local terms energy: -306.565840
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -66.870
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -86.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1006.028178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.028178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.028178 (E_RNA)
where:
Base-Base interactions energy: -711.178
where: short stacking energy: -286.784
Base-Backbone interact. energy: -2.523
local terms energy: -292.326825
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -54.391
flat angles C4'-P-C4' energy: -66.705
flat angles P-C4'-P energy: -48.517
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: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -925.165512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.165512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.165512 (E_RNA)
where:
Base-Base interactions energy: -639.349
where: short stacking energy: -302.674
Base-Backbone interact. energy: -1.452
local terms energy: -284.364072
where:
bonds (distance) C4'-P energy: -46.766
bonds (distance) P-C4' energy: -51.582
flat angles C4'-P-C4' energy: -60.642
flat angles P-C4'-P energy: -38.542
tors. eta vs tors. theta energy: -86.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -920.606330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.606330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.606330 (E_RNA)
where:
Base-Base interactions energy: -646.008
where: short stacking energy: -287.882
Base-Backbone interact. energy: -1.484
local terms energy: -273.115082
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -49.982
flat angles C4'-P-C4' energy: -59.675
flat angles P-C4'-P energy: -45.690
tors. eta vs tors. theta energy: -71.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -736.589208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.589208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.589208 (E_RNA)
where:
Base-Base interactions energy: -470.984
where: short stacking energy: -223.567
Base-Backbone interact. energy: 2.988
local terms energy: -268.593345
where:
bonds (distance) C4'-P energy: -43.372
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -56.303
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: -63.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -696.177679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.177679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.177679 (E_RNA)
where:
Base-Base interactions energy: -466.200
where: short stacking energy: -199.829
Base-Backbone interact. energy: -1.030
local terms energy: -228.947122
where:
bonds (distance) C4'-P energy: -49.094
bonds (distance) P-C4' energy: -53.103
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -42.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -652.527813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.527813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.527813 (E_RNA)
where:
Base-Base interactions energy: -423.761
where: short stacking energy: -185.893
Base-Backbone interact. energy: 0.747
local terms energy: -229.513813
where:
bonds (distance) C4'-P energy: -42.470
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -62.516
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -33.050
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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -512.445432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.445432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.445432 (E_RNA)
where:
Base-Base interactions energy: -322.100
where: short stacking energy: -141.745
Base-Backbone interact. energy: 2.915
local terms energy: -193.261061
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -47.614
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1158.453348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.453348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.453348 (E_RNA)
where:
Base-Base interactions energy: -817.649
where: short stacking energy: -355.492
Base-Backbone interact. energy: 0.311
local terms energy: -341.115541
where:
bonds (distance) C4'-P energy: -65.693
bonds (distance) P-C4' energy: -59.904
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -47.213
tors. eta vs tors. theta energy: -95.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1055.587957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.587957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.587957 (E_RNA)
where:
Base-Base interactions energy: -731.152
where: short stacking energy: -330.643
Base-Backbone interact. energy: 0.223
local terms energy: -324.658999
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -55.581
flat angles C4'-P-C4' energy: -67.386
flat angles P-C4'-P energy: -49.245
tors. eta vs tors. theta energy: -94.777
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: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1040.011592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.011592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.011592 (E_RNA)
where:
Base-Base interactions energy: -722.457
where: short stacking energy: -305.539
Base-Backbone interact. energy: -2.726
local terms energy: -314.829049
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -59.580
flat angles C4'-P-C4' energy: -66.847
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -93.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1002.686400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.686400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.686400 (E_RNA)
where:
Base-Base interactions energy: -714.750
where: short stacking energy: -296.213
Base-Backbone interact. energy: -0.046
local terms energy: -287.890841
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -54.097
flat angles C4'-P-C4' energy: -60.729
flat angles P-C4'-P energy: -40.057
tors. eta vs tors. theta energy: -75.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -942.125972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.125972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.125972 (E_RNA)
where:
Base-Base interactions energy: -646.856
where: short stacking energy: -291.381
Base-Backbone interact. energy: -0.130
local terms energy: -295.139935
where:
bonds (distance) C4'-P energy: -49.124
bonds (distance) P-C4' energy: -51.199
flat angles C4'-P-C4' energy: -60.996
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -82.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -929.447851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.447851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.447851 (E_RNA)
where:
Base-Base interactions energy: -637.063
where: short stacking energy: -286.827
Base-Backbone interact. energy: -0.842
local terms energy: -291.542924
where:
bonds (distance) C4'-P energy: -45.062
bonds (distance) P-C4' energy: -63.531
flat angles C4'-P-C4' energy: -61.974
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -83.414
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: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -731.450461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.450461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.450461 (E_RNA)
where:
Base-Base interactions energy: -478.660
where: short stacking energy: -223.026
Base-Backbone interact. energy: 0.204
local terms energy: -252.995014
where:
bonds (distance) C4'-P energy: -63.338
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -54.964
flat angles P-C4'-P energy: -35.136
tors. eta vs tors. theta energy: -53.363
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: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -740.391811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.391811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.391811 (E_RNA)
where:
Base-Base interactions energy: -496.054
where: short stacking energy: -203.004
Base-Backbone interact. energy: -1.024
local terms energy: -243.313845
where:
bonds (distance) C4'-P energy: -52.679
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -49.644
flat angles P-C4'-P energy: -30.501
tors. eta vs tors. theta energy: -47.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -666.684730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.684730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.684730 (E_RNA)
where:
Base-Base interactions energy: -443.719
where: short stacking energy: -195.253
Base-Backbone interact. energy: -0.052
local terms energy: -222.913685
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -52.284
flat angles C4'-P-C4' energy: -47.018
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -37.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -524.124549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.124549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.124549 (E_RNA)
where:
Base-Base interactions energy: -324.962
where: short stacking energy: -154.089
Base-Backbone interact. energy: 2.317
local terms energy: -201.479367
where:
bonds (distance) C4'-P energy: -44.152
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -63.498
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -27.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1135.535572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.535572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.535572 (E_RNA)
where:
Base-Base interactions energy: -799.148
where: short stacking energy: -322.788
Base-Backbone interact. energy: -0.657
local terms energy: -335.731405
where:
bonds (distance) C4'-P energy: -68.027
bonds (distance) P-C4' energy: -62.334
flat angles C4'-P-C4' energy: -74.124
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -92.202
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: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1057.334035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.334035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.334035 (E_RNA)
where:
Base-Base interactions energy: -731.444
where: short stacking energy: -337.839
Base-Backbone interact. energy: 4.236
local terms energy: -330.125762
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -58.305
flat angles C4'-P-C4' energy: -64.861
flat angles P-C4'-P energy: -46.188
tors. eta vs tors. theta energy: -98.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1031.446097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.446097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.446097 (E_RNA)
where:
Base-Base interactions energy: -711.888
where: short stacking energy: -295.762
Base-Backbone interact. energy: 0.346
local terms energy: -319.904127
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -61.242
flat angles C4'-P-C4' energy: -73.391
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -87.646
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: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -998.916702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.916702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.916702 (E_RNA)
where:
Base-Base interactions energy: -694.827
where: short stacking energy: -298.552
Base-Backbone interact. energy: -1.770
local terms energy: -302.318828
where:
bonds (distance) C4'-P energy: -51.775
bonds (distance) P-C4' energy: -54.433
flat angles C4'-P-C4' energy: -66.546
flat angles P-C4'-P energy: -46.760
tors. eta vs tors. theta energy: -82.806
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: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -934.623985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.623985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.623985 (E_RNA)
where:
Base-Base interactions energy: -651.025
where: short stacking energy: -295.915
Base-Backbone interact. energy: -0.620
local terms energy: -282.978426
where:
bonds (distance) C4'-P energy: -52.813
bonds (distance) P-C4' energy: -50.424
flat angles C4'-P-C4' energy: -55.423
flat angles P-C4'-P energy: -39.237
tors. eta vs tors. theta energy: -85.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -905.055866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.055866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.055866 (E_RNA)
where:
Base-Base interactions energy: -604.637
where: short stacking energy: -279.518
Base-Backbone interact. energy: -0.611
local terms energy: -299.808013
where:
bonds (distance) C4'-P energy: -55.106
bonds (distance) P-C4' energy: -60.282
flat angles C4'-P-C4' energy: -61.045
flat angles P-C4'-P energy: -47.391
tors. eta vs tors. theta energy: -75.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -707.908266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.908266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.908266 (E_RNA)
where:
Base-Base interactions energy: -478.674
where: short stacking energy: -213.783
Base-Backbone interact. energy: 1.869
local terms energy: -231.103670
where:
bonds (distance) C4'-P energy: -46.567
bonds (distance) P-C4' energy: -59.063
flat angles C4'-P-C4' energy: -43.395
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -53.369
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: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -798.339306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.339306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.339306 (E_RNA)
where:
Base-Base interactions energy: -543.889
where: short stacking energy: -250.907
Base-Backbone interact. energy: -1.393
local terms energy: -253.057997
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -63.861
flat angles C4'-P-C4' energy: -52.241
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -70.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -661.497888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.497888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.497888 (E_RNA)
where:
Base-Base interactions energy: -458.467
where: short stacking energy: -196.855
Base-Backbone interact. energy: -2.532
local terms energy: -200.499503
where:
bonds (distance) C4'-P energy: -45.599
bonds (distance) P-C4' energy: -45.548
flat angles C4'-P-C4' energy: -43.038
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -35.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -533.564139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.564139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.564139 (E_RNA)
where:
Base-Base interactions energy: -327.080
where: short stacking energy: -144.919
Base-Backbone interact. energy: -0.757
local terms energy: -205.726687
where:
bonds (distance) C4'-P energy: -51.477
bonds (distance) P-C4' energy: -53.647
flat angles C4'-P-C4' energy: -44.491
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -24.083
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: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1137.834283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.834283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.834283 (E_RNA)
where:
Base-Base interactions energy: -820.792
where: short stacking energy: -331.906
Base-Backbone interact. energy: -0.751
local terms energy: -316.291774
where:
bonds (distance) C4'-P energy: -62.489
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -67.252
flat angles P-C4'-P energy: -45.106
tors. eta vs tors. theta energy: -92.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1082.494133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.494133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.494133 (E_RNA)
where:
Base-Base interactions energy: -760.769
where: short stacking energy: -340.456
Base-Backbone interact. energy: -1.791
local terms energy: -319.933585
where:
bonds (distance) C4'-P energy: -58.174
bonds (distance) P-C4' energy: -54.180
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -52.133
tors. eta vs tors. theta energy: -92.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1039.851814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.851814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.851814 (E_RNA)
where:
Base-Base interactions energy: -717.884
where: short stacking energy: -301.043
Base-Backbone interact. energy: -1.906
local terms energy: -320.061622
where:
bonds (distance) C4'-P energy: -55.424
bonds (distance) P-C4' energy: -60.576
flat angles C4'-P-C4' energy: -66.135
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -91.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1007.091569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.091569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.091569 (E_RNA)
where:
Base-Base interactions energy: -706.247
where: short stacking energy: -277.870
Base-Backbone interact. energy: 1.465
local terms energy: -302.309630
where:
bonds (distance) C4'-P energy: -59.455
bonds (distance) P-C4' energy: -56.501
flat angles C4'-P-C4' energy: -63.437
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -77.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -938.075599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.075599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.075599 (E_RNA)
where:
Base-Base interactions energy: -640.602
where: short stacking energy: -300.540
Base-Backbone interact. energy: -0.556
local terms energy: -296.917987
where:
bonds (distance) C4'-P energy: -46.333
bonds (distance) P-C4' energy: -59.708
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -38.664
tors. eta vs tors. theta energy: -93.743
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: 432
Temperature: 1.150000
Total energy: -884.983460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.983460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.983460 (E_RNA)
where:
Base-Base interactions energy: -598.833
where: short stacking energy: -257.576
Base-Backbone interact. energy: -2.455
local terms energy: -283.695809
where:
bonds (distance) C4'-P energy: -60.636
bonds (distance) P-C4' energy: -61.763
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -77.398
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: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -729.781056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.781056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.781056 (E_RNA)
where:
Base-Base interactions energy: -488.259
where: short stacking energy: -213.775
Base-Backbone interact. energy: -1.163
local terms energy: -240.358587
where:
bonds (distance) C4'-P energy: -63.132
bonds (distance) P-C4' energy: -51.681
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -47.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -686.728662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.728662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.728662 (E_RNA)
where:
Base-Base interactions energy: -449.120
where: short stacking energy: -189.432
Base-Backbone interact. energy: -2.911
local terms energy: -234.697332
where:
bonds (distance) C4'-P energy: -41.697
bonds (distance) P-C4' energy: -47.908
flat angles C4'-P-C4' energy: -54.145
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -42.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -662.887002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.887002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.887002 (E_RNA)
where:
Base-Base interactions energy: -418.354
where: short stacking energy: -181.348
Base-Backbone interact. energy: 3.122
local terms energy: -247.654588
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -60.288
flat angles C4'-P-C4' energy: -56.551
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -39.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -533.354235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.354235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.354235 (E_RNA)
where:
Base-Base interactions energy: -325.593
where: short stacking energy: -138.129
Base-Backbone interact. energy: -1.752
local terms energy: -206.009435
where:
bonds (distance) C4'-P energy: -56.049
bonds (distance) P-C4' energy: -55.633
flat angles C4'-P-C4' energy: -53.642
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -21.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1143.938703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.938703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.938703 (E_RNA)
where:
Base-Base interactions energy: -809.326
where: short stacking energy: -338.304
Base-Backbone interact. energy: -2.221
local terms energy: -332.391729
where:
bonds (distance) C4'-P energy: -50.739
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -73.435
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -97.285
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: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1065.926360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.926360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.926360 (E_RNA)
where:
Base-Base interactions energy: -729.108
where: short stacking energy: -328.880
Base-Backbone interact. energy: -0.743
local terms energy: -336.074792
where:
bonds (distance) C4'-P energy: -62.111
bonds (distance) P-C4' energy: -63.075
flat angles C4'-P-C4' energy: -70.756
flat angles P-C4'-P energy: -48.493
tors. eta vs tors. theta energy: -91.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1021.876314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.876314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.876314 (E_RNA)
where:
Base-Base interactions energy: -709.963
where: short stacking energy: -307.921
Base-Backbone interact. energy: 0.316
local terms energy: -312.229571
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -50.423
flat angles C4'-P-C4' energy: -69.784
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -94.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1003.999993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.999993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.999993 (E_RNA)
where:
Base-Base interactions energy: -705.004
where: short stacking energy: -278.893
Base-Backbone interact. energy: -1.009
local terms energy: -297.987308
where:
bonds (distance) C4'-P energy: -45.988
bonds (distance) P-C4' energy: -57.155
flat angles C4'-P-C4' energy: -71.354
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -80.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -989.424349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.424349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.424349 (E_RNA)
where:
Base-Base interactions energy: -658.974
where: short stacking energy: -317.473
Base-Backbone interact. energy: -3.347
local terms energy: -327.103191
where:
bonds (distance) C4'-P energy: -60.019
bonds (distance) P-C4' energy: -60.221
flat angles C4'-P-C4' energy: -68.554
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -87.137
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: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -914.677239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.677239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.677239 (E_RNA)
where:
Base-Base interactions energy: -622.130
where: short stacking energy: -286.820
Base-Backbone interact. energy: 0.413
local terms energy: -292.959681
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -57.010
flat angles C4'-P-C4' energy: -61.060
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: -80.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -726.365578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.365578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.365578 (E_RNA)
where:
Base-Base interactions energy: -472.188
where: short stacking energy: -216.669
Base-Backbone interact. energy: -0.539
local terms energy: -253.638302
where:
bonds (distance) C4'-P energy: -58.342
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -48.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -694.124298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.124298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.124298 (E_RNA)
where:
Base-Base interactions energy: -455.128
where: short stacking energy: -196.163
Base-Backbone interact. energy: -0.646
local terms energy: -238.350580
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -50.190
flat angles C4'-P-C4' energy: -60.989
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -42.568
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: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -629.550920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.550920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.550920 (E_RNA)
where:
Base-Base interactions energy: -428.686
where: short stacking energy: -184.977
Base-Backbone interact. energy: 1.178
local terms energy: -202.043777
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -39.959
flat angles C4'-P-C4' energy: -49.051
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: -37.579
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: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -519.998071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.998071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.998071 (E_RNA)
where:
Base-Base interactions energy: -329.062
where: short stacking energy: -160.555
Base-Backbone interact. energy: -0.674
local terms energy: -190.261529
where:
bonds (distance) C4'-P energy: -46.531
bonds (distance) P-C4' energy: -57.896
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -25.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1147.739168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.739168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.739168 (E_RNA)
where:
Base-Base interactions energy: -807.913
where: short stacking energy: -346.938
Base-Backbone interact. energy: -2.233
local terms energy: -337.592874
where:
bonds (distance) C4'-P energy: -56.723
bonds (distance) P-C4' energy: -64.740
flat angles C4'-P-C4' energy: -66.338
flat angles P-C4'-P energy: -48.899
tors. eta vs tors. theta energy: -100.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1056.374582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.374582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.374582 (E_RNA)
where:
Base-Base interactions energy: -729.382
where: short stacking energy: -329.268
Base-Backbone interact. energy: 1.996
local terms energy: -328.989193
where:
bonds (distance) C4'-P energy: -58.985
bonds (distance) P-C4' energy: -63.178
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -92.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1048.152875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.152875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.152875 (E_RNA)
where:
Base-Base interactions energy: -748.838
where: short stacking energy: -297.575
Base-Backbone interact. energy: 3.612
local terms energy: -302.927051
where:
bonds (distance) C4'-P energy: -57.772
bonds (distance) P-C4' energy: -54.487
flat angles C4'-P-C4' energy: -69.537
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -75.534
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: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1027.422584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.422584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.422584 (E_RNA)
where:
Base-Base interactions energy: -717.527
where: short stacking energy: -303.079
Base-Backbone interact. energy: -2.270
local terms energy: -307.625608
where:
bonds (distance) C4'-P energy: -53.139
bonds (distance) P-C4' energy: -54.585
flat angles C4'-P-C4' energy: -70.756
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -92.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -933.116493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.116493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.116493 (E_RNA)
where:
Base-Base interactions energy: -649.580
where: short stacking energy: -286.201
Base-Backbone interact. energy: -1.372
local terms energy: -282.164578
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -63.817
flat angles C4'-P-C4' energy: -62.483
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -77.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -936.776642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.776642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.776642 (E_RNA)
where:
Base-Base interactions energy: -638.675
where: short stacking energy: -287.921
Base-Backbone interact. energy: -0.372
local terms energy: -297.729277
where:
bonds (distance) C4'-P energy: -56.355
bonds (distance) P-C4' energy: -56.885
flat angles C4'-P-C4' energy: -65.142
flat angles P-C4'-P energy: -34.899
tors. eta vs tors. theta energy: -84.448
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: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -717.540991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.540991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.540991 (E_RNA)
where:
Base-Base interactions energy: -474.955
where: short stacking energy: -233.556
Base-Backbone interact. energy: -0.772
local terms energy: -241.814577
where:
bonds (distance) C4'-P energy: -41.732
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -50.064
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: -53.611
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: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -685.513509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.513509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.513509 (E_RNA)
where:
Base-Base interactions energy: -450.693
where: short stacking energy: -192.727
Base-Backbone interact. energy: -2.275
local terms energy: -232.545499
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -42.350
flat angles C4'-P-C4' energy: -68.387
flat angles P-C4'-P energy: -38.438
tors. eta vs tors. theta energy: -47.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -653.914648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.914648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.914648 (E_RNA)
where:
Base-Base interactions energy: -434.092
where: short stacking energy: -198.733
Base-Backbone interact. energy: -1.708
local terms energy: -218.114354
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -50.570
flat angles C4'-P-C4' energy: -49.508
flat angles P-C4'-P energy: -27.167
tors. eta vs tors. theta energy: -49.756
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: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -541.474269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.474269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.474269 (E_RNA)
where:
Base-Base interactions energy: -356.000
where: short stacking energy: -178.395
Base-Backbone interact. energy: -0.926
local terms energy: -184.548627
where:
bonds (distance) C4'-P energy: -45.508
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -49.769
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -32.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1143.245826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.245826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.245826 (E_RNA)
where:
Base-Base interactions energy: -797.000
where: short stacking energy: -337.433
Base-Backbone interact. energy: -0.180
local terms energy: -346.066199
where:
bonds (distance) C4'-P energy: -65.456
bonds (distance) P-C4' energy: -66.229
flat angles C4'-P-C4' energy: -72.087
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -99.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1048.197854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.197854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.197854 (E_RNA)
where:
Base-Base interactions energy: -713.837
where: short stacking energy: -332.262
Base-Backbone interact. energy: -1.380
local terms energy: -332.980681
where:
bonds (distance) C4'-P energy: -56.970
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -70.773
flat angles P-C4'-P energy: -48.337
tors. eta vs tors. theta energy: -95.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1018.530300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.530300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.530300 (E_RNA)
where:
Base-Base interactions energy: -717.848
where: short stacking energy: -298.697
Base-Backbone interact. energy: -1.995
local terms energy: -298.686916
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -78.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1023.954934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.954934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.954934 (E_RNA)
where:
Base-Base interactions energy: -716.066
where: short stacking energy: -308.413
Base-Backbone interact. energy: -1.139
local terms energy: -306.749813
where:
bonds (distance) C4'-P energy: -48.421
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -59.746
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -93.028
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: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -936.080127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.080127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.080127 (E_RNA)
where:
Base-Base interactions energy: -656.260
where: short stacking energy: -300.194
Base-Backbone interact. energy: -1.193
local terms energy: -278.627128
where:
bonds (distance) C4'-P energy: -47.775
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -59.682
flat angles P-C4'-P energy: -44.911
tors. eta vs tors. theta energy: -80.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -947.815253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.815253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.815253 (E_RNA)
where:
Base-Base interactions energy: -657.271
where: short stacking energy: -291.531
Base-Backbone interact. energy: 0.201
local terms energy: -290.744499
where:
bonds (distance) C4'-P energy: -50.896
bonds (distance) P-C4' energy: -60.708
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -42.776
tors. eta vs tors. theta energy: -80.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -711.240287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.240287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.240287 (E_RNA)
where:
Base-Base interactions energy: -458.007
where: short stacking energy: -218.989
Base-Backbone interact. energy: -0.773
local terms energy: -252.459837
where:
bonds (distance) C4'-P energy: -61.975
bonds (distance) P-C4' energy: -52.173
flat angles C4'-P-C4' energy: -66.419
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: -42.148
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: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -672.205133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.205133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.205133 (E_RNA)
where:
Base-Base interactions energy: -418.025
where: short stacking energy: -189.317
Base-Backbone interact. energy: 2.020
local terms energy: -256.199738
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -57.989
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -42.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -652.364953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.364953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.364953 (E_RNA)
where:
Base-Base interactions energy: -449.607
where: short stacking energy: -195.314
Base-Backbone interact. energy: -2.224
local terms energy: -200.534072
where:
bonds (distance) C4'-P energy: -40.671
bonds (distance) P-C4' energy: -46.068
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -32.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -531.195236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.195236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.195236 (E_RNA)
where:
Base-Base interactions energy: -323.447
where: short stacking energy: -148.234
Base-Backbone interact. energy: -0.322
local terms energy: -207.425720
where:
bonds (distance) C4'-P energy: -53.273
bonds (distance) P-C4' energy: -45.086
flat angles C4'-P-C4' energy: -55.216
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1137.982684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.982684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.982684 (E_RNA)
where:
Base-Base interactions energy: -804.120
where: short stacking energy: -331.846
Base-Backbone interact. energy: -1.902
local terms energy: -331.960736
where:
bonds (distance) C4'-P energy: -62.822
bonds (distance) P-C4' energy: -52.864
flat angles C4'-P-C4' energy: -70.801
flat angles P-C4'-P energy: -47.295
tors. eta vs tors. theta energy: -98.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1062.830141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.830141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.830141 (E_RNA)
where:
Base-Base interactions energy: -738.366
where: short stacking energy: -327.407
Base-Backbone interact. energy: -1.005
local terms energy: -323.459812
where:
bonds (distance) C4'-P energy: -53.653
bonds (distance) P-C4' energy: -57.062
flat angles C4'-P-C4' energy: -71.751
flat angles P-C4'-P energy: -43.209
tors. eta vs tors. theta energy: -97.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1025.523501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.523501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.523501 (E_RNA)
where:
Base-Base interactions energy: -724.035
where: short stacking energy: -303.855
Base-Backbone interact. energy: -1.366
local terms energy: -300.122308
where:
bonds (distance) C4'-P energy: -57.191
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -64.945
flat angles P-C4'-P energy: -41.328
tors. eta vs tors. theta energy: -76.254
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: 436
Temperature: 1.050000
Total energy: -997.890740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.890740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.890740 (E_RNA)
where:
Base-Base interactions energy: -682.613
where: short stacking energy: -293.270
Base-Backbone interact. energy: -1.186
local terms energy: -314.091384
where:
bonds (distance) C4'-P energy: -55.505
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -69.574
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -89.510
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: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -927.918939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.918939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.918939 (E_RNA)
where:
Base-Base interactions energy: -638.456
where: short stacking energy: -290.184
Base-Backbone interact. energy: -0.609
local terms energy: -288.854269
where:
bonds (distance) C4'-P energy: -46.629
bonds (distance) P-C4' energy: -52.409
flat angles C4'-P-C4' energy: -65.137
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: -76.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -922.573408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.573408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.573408 (E_RNA)
where:
Base-Base interactions energy: -650.418
where: short stacking energy: -277.658
Base-Backbone interact. energy: 1.441
local terms energy: -273.597142
where:
bonds (distance) C4'-P energy: -36.814
bonds (distance) P-C4' energy: -50.599
flat angles C4'-P-C4' energy: -62.107
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -80.311
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: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -700.599885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.599885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.599885 (E_RNA)
where:
Base-Base interactions energy: -459.365
where: short stacking energy: -223.198
Base-Backbone interact. energy: 0.069
local terms energy: -241.304081
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -50.217
flat angles C4'-P-C4' energy: -56.593
flat angles P-C4'-P energy: -35.031
tors. eta vs tors. theta energy: -51.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -680.695719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.695719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.695719 (E_RNA)
where:
Base-Base interactions energy: -439.117
where: short stacking energy: -211.342
Base-Backbone interact. energy: -0.648
local terms energy: -240.930693
where:
bonds (distance) C4'-P energy: -38.899
bonds (distance) P-C4' energy: -52.968
flat angles C4'-P-C4' energy: -50.746
flat angles P-C4'-P energy: -38.464
tors. eta vs tors. theta energy: -59.854
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: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -688.987121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.987121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.987121 (E_RNA)
where:
Base-Base interactions energy: -478.871
where: short stacking energy: -214.166
Base-Backbone interact. energy: -0.878
local terms energy: -209.238735
where:
bonds (distance) C4'-P energy: -49.283
bonds (distance) P-C4' energy: -42.898
flat angles C4'-P-C4' energy: -49.222
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -42.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -506.807089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.807089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.807089 (E_RNA)
where:
Base-Base interactions energy: -306.694
where: short stacking energy: -146.826
Base-Backbone interact. energy: -1.691
local terms energy: -198.422662
where:
bonds (distance) C4'-P energy: -48.620
bonds (distance) P-C4' energy: -44.167
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1133.036110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.036110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.036110 (E_RNA)
where:
Base-Base interactions energy: -797.048
where: short stacking energy: -334.170
Base-Backbone interact. energy: -1.537
local terms energy: -334.450663
where:
bonds (distance) C4'-P energy: -59.794
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -70.259
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -96.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1048.342047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.342047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.342047 (E_RNA)
where:
Base-Base interactions energy: -734.173
where: short stacking energy: -317.827
Base-Backbone interact. energy: 2.199
local terms energy: -316.367887
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -67.885
flat angles P-C4'-P energy: -43.054
tors. eta vs tors. theta energy: -95.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1040.538273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.538273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.538273 (E_RNA)
where:
Base-Base interactions energy: -727.774
where: short stacking energy: -301.084
Base-Backbone interact. energy: -2.875
local terms energy: -309.889175
where:
bonds (distance) C4'-P energy: -52.872
bonds (distance) P-C4' energy: -68.777
flat angles C4'-P-C4' energy: -64.363
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: -84.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -990.942389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.942389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.942389 (E_RNA)
where:
Base-Base interactions energy: -692.657
where: short stacking energy: -301.250
Base-Backbone interact. energy: -2.207
local terms energy: -296.078902
where:
bonds (distance) C4'-P energy: -57.969
bonds (distance) P-C4' energy: -58.355
flat angles C4'-P-C4' energy: -61.721
flat angles P-C4'-P energy: -35.361
tors. eta vs tors. theta energy: -82.673
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: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -935.824281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.824281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.824281 (E_RNA)
where:
Base-Base interactions energy: -638.280
where: short stacking energy: -271.996
Base-Backbone interact. energy: -0.803
local terms energy: -296.741573
where:
bonds (distance) C4'-P energy: -58.728
bonds (distance) P-C4' energy: -59.463
flat angles C4'-P-C4' energy: -62.754
flat angles P-C4'-P energy: -39.880
tors. eta vs tors. theta energy: -75.917
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: 437
Temperature: 1.150000
Total energy: -917.675709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.675709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.675709 (E_RNA)
where:
Base-Base interactions energy: -625.454
where: short stacking energy: -283.724
Base-Backbone interact. energy: -0.922
local terms energy: -291.299945
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -64.623
flat angles P-C4'-P energy: -42.801
tors. eta vs tors. theta energy: -72.742
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: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -715.668215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.668215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.668215 (E_RNA)
where:
Base-Base interactions energy: -448.859
where: short stacking energy: -218.921
Base-Backbone interact. energy: -0.220
local terms energy: -266.589127
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -59.346
flat angles C4'-P-C4' energy: -67.133
flat angles P-C4'-P energy: -43.826
tors. eta vs tors. theta energy: -49.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -659.411764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.411764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.411764 (E_RNA)
where:
Base-Base interactions energy: -425.624
where: short stacking energy: -201.035
Base-Backbone interact. energy: -0.423
local terms energy: -233.364339
where:
bonds (distance) C4'-P energy: -63.286
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -58.177
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -41.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -682.039654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.039654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.039654 (E_RNA)
where:
Base-Base interactions energy: -486.037
where: short stacking energy: -211.240
Base-Backbone interact. energy: -2.725
local terms energy: -193.277885
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -38.976
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: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -527.814609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.814609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.814609 (E_RNA)
where:
Base-Base interactions energy: -340.329
where: short stacking energy: -149.939
Base-Backbone interact. energy: 2.179
local terms energy: -189.664232
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -47.393
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1138.392192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.392192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.392192 (E_RNA)
where:
Base-Base interactions energy: -796.789
where: short stacking energy: -340.461
Base-Backbone interact. energy: -1.896
local terms energy: -339.706945
where:
bonds (distance) C4'-P energy: -56.578
bonds (distance) P-C4' energy: -67.780
flat angles C4'-P-C4' energy: -65.817
flat angles P-C4'-P energy: -51.418
tors. eta vs tors. theta energy: -98.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1046.449727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.449727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.449727 (E_RNA)
where:
Base-Base interactions energy: -726.469
where: short stacking energy: -338.866
Base-Backbone interact. energy: 1.577
local terms energy: -321.558580
where:
bonds (distance) C4'-P energy: -59.091
bonds (distance) P-C4' energy: -51.982
flat angles C4'-P-C4' energy: -67.871
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -94.267
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1038.305993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.305993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.305993 (E_RNA)
where:
Base-Base interactions energy: -731.580
where: short stacking energy: -324.458
Base-Backbone interact. energy: 1.758
local terms energy: -308.483894
where:
bonds (distance) C4'-P energy: -51.109
bonds (distance) P-C4' energy: -63.174
flat angles C4'-P-C4' energy: -69.218
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -82.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1042.045569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.045569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.045569 (E_RNA)
where:
Base-Base interactions energy: -721.634
where: short stacking energy: -309.222
Base-Backbone interact. energy: -1.557
local terms energy: -318.853810
where:
bonds (distance) C4'-P energy: -56.379
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -73.805
flat angles P-C4'-P energy: -44.896
tors. eta vs tors. theta energy: -86.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -952.726933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.726933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.726933 (E_RNA)
where:
Base-Base interactions energy: -647.672
where: short stacking energy: -292.151
Base-Backbone interact. energy: -1.897
local terms energy: -303.157642
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -69.965
flat angles C4'-P-C4' energy: -61.241
flat angles P-C4'-P energy: -35.546
tors. eta vs tors. theta energy: -79.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -915.198316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.198316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.198316 (E_RNA)
where:
Base-Base interactions energy: -623.457
where: short stacking energy: -276.486
Base-Backbone interact. energy: -1.929
local terms energy: -289.812175
where:
bonds (distance) C4'-P energy: -59.358
bonds (distance) P-C4' energy: -52.877
flat angles C4'-P-C4' energy: -60.969
flat angles P-C4'-P energy: -39.415
tors. eta vs tors. theta energy: -77.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -684.649764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.649764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.649764 (E_RNA)
where:
Base-Base interactions energy: -443.978
where: short stacking energy: -207.307
Base-Backbone interact. energy: 2.211
local terms energy: -242.882021
where:
bonds (distance) C4'-P energy: -42.732
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -60.034
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -48.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -646.133605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.133605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.133605 (E_RNA)
where:
Base-Base interactions energy: -419.727
where: short stacking energy: -168.260
Base-Backbone interact. energy: -1.074
local terms energy: -225.332294
where:
bonds (distance) C4'-P energy: -51.604
bonds (distance) P-C4' energy: -59.292
flat angles C4'-P-C4' energy: -47.552
flat angles P-C4'-P energy: -32.855
tors. eta vs tors. theta energy: -34.029
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: 438
Temperature: 1.300000
Total energy: -698.300672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.300672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.300672 (E_RNA)
where:
Base-Base interactions energy: -463.749
where: short stacking energy: -201.869
Base-Backbone interact. energy: -0.746
local terms energy: -233.806451
where:
bonds (distance) C4'-P energy: -56.195
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -45.180
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: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -545.637395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.637395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.637395 (E_RNA)
where:
Base-Base interactions energy: -340.624
where: short stacking energy: -167.429
Base-Backbone interact. energy: -0.684
local terms energy: -204.329262
where:
bonds (distance) C4'-P energy: -51.093
bonds (distance) P-C4' energy: -51.042
flat angles C4'-P-C4' energy: -45.016
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1140.601380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.601380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.601380 (E_RNA)
where:
Base-Base interactions energy: -798.967
where: short stacking energy: -332.996
Base-Backbone interact. energy: -0.581
local terms energy: -341.053596
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -67.170
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -99.185
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: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1056.356309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.356309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.356309 (E_RNA)
where:
Base-Base interactions energy: -728.747
where: short stacking energy: -332.719
Base-Backbone interact. energy: -1.395
local terms energy: -326.214962
where:
bonds (distance) C4'-P energy: -66.424
bonds (distance) P-C4' energy: -64.794
flat angles C4'-P-C4' energy: -51.327
flat angles P-C4'-P energy: -44.286
tors. eta vs tors. theta energy: -99.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1024.729099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.729099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.729099 (E_RNA)
where:
Base-Base interactions energy: -709.907
where: short stacking energy: -302.357
Base-Backbone interact. energy: -1.252
local terms energy: -313.569899
where:
bonds (distance) C4'-P energy: -59.385
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -64.546
flat angles P-C4'-P energy: -51.767
tors. eta vs tors. theta energy: -78.430
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: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1017.736673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.736673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.736673 (E_RNA)
where:
Base-Base interactions energy: -707.953
where: short stacking energy: -296.373
Base-Backbone interact. energy: -1.656
local terms energy: -308.127780
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -57.656
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -93.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -939.354822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.354822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.354822 (E_RNA)
where:
Base-Base interactions energy: -625.514
where: short stacking energy: -279.788
Base-Backbone interact. energy: 0.415
local terms energy: -314.255548
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -66.333
flat angles C4'-P-C4' energy: -67.011
flat angles P-C4'-P energy: -52.633
tors. eta vs tors. theta energy: -80.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -947.511844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.511844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.511844 (E_RNA)
where:
Base-Base interactions energy: -652.934
where: short stacking energy: -298.755
Base-Backbone interact. energy: -1.102
local terms energy: -293.475877
where:
bonds (distance) C4'-P energy: -43.075
bonds (distance) P-C4' energy: -58.528
flat angles C4'-P-C4' energy: -64.685
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -87.723
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: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -702.720637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.720637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.720637 (E_RNA)
where:
Base-Base interactions energy: -463.227
where: short stacking energy: -204.163
Base-Backbone interact. energy: 0.035
local terms energy: -239.528651
where:
bonds (distance) C4'-P energy: -64.255
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: -39.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -734.340314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.340314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.340314 (E_RNA)
where:
Base-Base interactions energy: -487.137
where: short stacking energy: -215.855
Base-Backbone interact. energy: 1.532
local terms energy: -248.735780
where:
bonds (distance) C4'-P energy: -57.581
bonds (distance) P-C4' energy: -61.955
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -49.356
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: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -677.970564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.970564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.970564 (E_RNA)
where:
Base-Base interactions energy: -433.758
where: short stacking energy: -198.825
Base-Backbone interact. energy: -1.621
local terms energy: -242.591839
where:
bonds (distance) C4'-P energy: -55.514
bonds (distance) P-C4' energy: -51.323
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -39.125
tors. eta vs tors. theta energy: -38.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -516.010912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.010912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.010912 (E_RNA)
where:
Base-Base interactions energy: -329.074
where: short stacking energy: -157.039
Base-Backbone interact. energy: -2.039
local terms energy: -184.897712
where:
bonds (distance) C4'-P energy: -46.003
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -53.444
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1149.593161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.593161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.593161 (E_RNA)
where:
Base-Base interactions energy: -808.003
where: short stacking energy: -348.291
Base-Backbone interact. energy: -1.794
local terms energy: -339.796675
where:
bonds (distance) C4'-P energy: -66.022
bonds (distance) P-C4' energy: -60.278
flat angles C4'-P-C4' energy: -62.840
flat angles P-C4'-P energy: -47.215
tors. eta vs tors. theta energy: -103.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1047.763354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.763354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.763354 (E_RNA)
where:
Base-Base interactions energy: -726.395
where: short stacking energy: -334.802
Base-Backbone interact. energy: -0.822
local terms energy: -320.545767
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -63.689
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: -95.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1023.120399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.120399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.120399 (E_RNA)
where:
Base-Base interactions energy: -726.240
where: short stacking energy: -293.282
Base-Backbone interact. energy: -2.065
local terms energy: -294.815679
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -56.293
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -91.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1010.212517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.212517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.212517 (E_RNA)
where:
Base-Base interactions energy: -705.083
where: short stacking energy: -295.570
Base-Backbone interact. energy: -1.498
local terms energy: -303.631868
where:
bonds (distance) C4'-P energy: -63.131
bonds (distance) P-C4' energy: -54.509
flat angles C4'-P-C4' energy: -65.824
flat angles P-C4'-P energy: -37.278
tors. eta vs tors. theta energy: -82.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -962.779502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.779502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.779502 (E_RNA)
where:
Base-Base interactions energy: -649.208
where: short stacking energy: -304.143
Base-Backbone interact. energy: 2.213
local terms energy: -315.784345
where:
bonds (distance) C4'-P energy: -55.901
bonds (distance) P-C4' energy: -60.407
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -36.810
tors. eta vs tors. theta energy: -94.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -917.115571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.115571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.115571 (E_RNA)
where:
Base-Base interactions energy: -612.750
where: short stacking energy: -271.791
Base-Backbone interact. energy: -0.594
local terms energy: -303.771074
where:
bonds (distance) C4'-P energy: -63.491
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -69.569
flat angles P-C4'-P energy: -38.687
tors. eta vs tors. theta energy: -79.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -722.686780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.686780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.686780 (E_RNA)
where:
Base-Base interactions energy: -506.615
where: short stacking energy: -227.151
Base-Backbone interact. energy: -1.962
local terms energy: -214.110057
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -40.278
flat angles C4'-P-C4' energy: -42.795
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -51.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -748.223971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.223971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.223971 (E_RNA)
where:
Base-Base interactions energy: -493.635
where: short stacking energy: -197.830
Base-Backbone interact. energy: -1.474
local terms energy: -253.115460
where:
bonds (distance) C4'-P energy: -51.047
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -56.613
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -48.616
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: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -655.225713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.225713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.225713 (E_RNA)
where:
Base-Base interactions energy: -437.961
where: short stacking energy: -184.758
Base-Backbone interact. energy: -0.716
local terms energy: -216.548823
where:
bonds (distance) C4'-P energy: -47.442
bonds (distance) P-C4' energy: -51.764
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -38.573
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: 440
Temperature: 1.350000
Total energy: -563.359711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.359711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.359711 (E_RNA)
where:
Base-Base interactions energy: -363.805
where: short stacking energy: -147.668
Base-Backbone interact. energy: -2.745
local terms energy: -196.810318
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -55.072
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1155.320424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.320424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.320424 (E_RNA)
where:
Base-Base interactions energy: -833.493
where: short stacking energy: -356.408
Base-Backbone interact. energy: -0.546
local terms energy: -321.281002
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -66.469
flat angles C4'-P-C4' energy: -67.034
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -95.805
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: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1071.510439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.510439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.510439 (E_RNA)
where:
Base-Base interactions energy: -738.473
where: short stacking energy: -321.134
Base-Backbone interact. energy: -3.412
local terms energy: -329.625898
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -58.904
flat angles C4'-P-C4' energy: -66.247
flat angles P-C4'-P energy: -45.791
tors. eta vs tors. theta energy: -97.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1060.235242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.235242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.235242 (E_RNA)
where:
Base-Base interactions energy: -742.592
where: short stacking energy: -339.174
Base-Backbone interact. energy: -0.794
local terms energy: -316.848963
where:
bonds (distance) C4'-P energy: -55.282
bonds (distance) P-C4' energy: -60.144
flat angles C4'-P-C4' energy: -73.118
flat angles P-C4'-P energy: -34.323
tors. eta vs tors. theta energy: -93.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -975.706443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.706443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.706443 (E_RNA)
where:
Base-Base interactions energy: -663.120
where: short stacking energy: -304.379
Base-Backbone interact. energy: -0.253
local terms energy: -312.333398
where:
bonds (distance) C4'-P energy: -57.820
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -63.007
flat angles P-C4'-P energy: -45.446
tors. eta vs tors. theta energy: -84.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -979.618576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.618576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.618576 (E_RNA)
where:
Base-Base interactions energy: -693.399
where: short stacking energy: -279.428
Base-Backbone interact. energy: -0.538
local terms energy: -285.681414
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -49.368
flat angles C4'-P-C4' energy: -58.619
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: -74.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -893.792131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.792131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.792131 (E_RNA)
where:
Base-Base interactions energy: -615.013
where: short stacking energy: -279.531
Base-Backbone interact. energy: -0.472
local terms energy: -278.307754
where:
bonds (distance) C4'-P energy: -40.282
bonds (distance) P-C4' energy: -55.438
flat angles C4'-P-C4' energy: -59.766
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -78.452
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: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -702.696955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.696955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.696955 (E_RNA)
where:
Base-Base interactions energy: -459.607
where: short stacking energy: -211.832
Base-Backbone interact. energy: 0.325
local terms energy: -243.414360
where:
bonds (distance) C4'-P energy: -51.705
bonds (distance) P-C4' energy: -42.638
flat angles C4'-P-C4' energy: -67.336
flat angles P-C4'-P energy: -36.625
tors. eta vs tors. theta energy: -45.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -740.623066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.623066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.623066 (E_RNA)
where:
Base-Base interactions energy: -497.338
where: short stacking energy: -221.688
Base-Backbone interact. energy: -1.043
local terms energy: -242.242894
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -59.803
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: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -577.641096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.641096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.641096 (E_RNA)
where:
Base-Base interactions energy: -360.175
where: short stacking energy: -167.095
Base-Backbone interact. energy: 1.020
local terms energy: -218.486126
where:
bonds (distance) C4'-P energy: -47.772
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -52.640
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -526.831857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.831857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.831857 (E_RNA)
where:
Base-Base interactions energy: -349.244
where: short stacking energy: -179.072
Base-Backbone interact. energy: -0.529
local terms energy: -177.059430
where:
bonds (distance) C4'-P energy: -40.591
bonds (distance) P-C4' energy: -38.887
flat angles C4'-P-C4' energy: -43.278
flat angles P-C4'-P energy: -29.894
tors. eta vs tors. theta energy: -24.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1162.657074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.657074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.657074 (E_RNA)
where:
Base-Base interactions energy: -826.412
where: short stacking energy: -343.616
Base-Backbone interact. energy: -1.096
local terms energy: -335.149673
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -70.599
flat angles P-C4'-P energy: -48.599
tors. eta vs tors. theta energy: -99.624
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1047.451553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.451553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.451553 (E_RNA)
where:
Base-Base interactions energy: -728.972
where: short stacking energy: -302.084
Base-Backbone interact. energy: -1.039
local terms energy: -317.441007
where:
bonds (distance) C4'-P energy: -62.550
bonds (distance) P-C4' energy: -61.670
flat angles C4'-P-C4' energy: -65.904
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: -89.618
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: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1053.319880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.319880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.319880 (E_RNA)
where:
Base-Base interactions energy: -729.723
where: short stacking energy: -335.701
Base-Backbone interact. energy: 1.918
local terms energy: -325.514426
where:
bonds (distance) C4'-P energy: -58.920
bonds (distance) P-C4' energy: -65.577
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -49.012
tors. eta vs tors. theta energy: -91.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -993.250604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.250604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.250604 (E_RNA)
where:
Base-Base interactions energy: -684.932
where: short stacking energy: -315.358
Base-Backbone interact. energy: -1.577
local terms energy: -306.741795
where:
bonds (distance) C4'-P energy: -55.749
bonds (distance) P-C4' energy: -54.313
flat angles C4'-P-C4' energy: -60.736
flat angles P-C4'-P energy: -42.529
tors. eta vs tors. theta energy: -93.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -958.980048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.980048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.980048 (E_RNA)
where:
Base-Base interactions energy: -685.155
where: short stacking energy: -275.814
Base-Backbone interact. energy: -0.771
local terms energy: -273.054525
where:
bonds (distance) C4'-P energy: -50.939
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -61.853
flat angles P-C4'-P energy: -41.986
tors. eta vs tors. theta energy: -63.548
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: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -853.948158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.948158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.948158 (E_RNA)
where:
Base-Base interactions energy: -586.554
where: short stacking energy: -261.717
Base-Backbone interact. energy: -1.539
local terms energy: -265.855057
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -53.957
flat angles C4'-P-C4' energy: -56.634
flat angles P-C4'-P energy: -34.756
tors. eta vs tors. theta energy: -69.397
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: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -820.074093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.074093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.074093 (E_RNA)
where:
Base-Base interactions energy: -565.588
where: short stacking energy: -252.785
Base-Backbone interact. energy: -0.620
local terms energy: -253.866382
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -45.454
flat angles C4'-P-C4' energy: -59.819
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -60.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -707.253824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.253824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.253824 (E_RNA)
where:
Base-Base interactions energy: -460.992
where: short stacking energy: -198.398
Base-Backbone interact. energy: -0.016
local terms energy: -246.245140
where:
bonds (distance) C4'-P energy: -54.705
bonds (distance) P-C4' energy: -50.125
flat angles C4'-P-C4' energy: -56.841
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -44.728
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: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -598.114173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.114173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.114173 (E_RNA)
where:
Base-Base interactions energy: -374.357
where: short stacking energy: -175.253
Base-Backbone interact. energy: -0.618
local terms energy: -223.139264
where:
bonds (distance) C4'-P energy: -56.074
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -31.537
tors. eta vs tors. theta energy: -35.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -526.189971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.189971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.189971 (E_RNA)
where:
Base-Base interactions energy: -337.523
where: short stacking energy: -135.810
Base-Backbone interact. energy: 0.623
local terms energy: -189.290760
where:
bonds (distance) C4'-P energy: -43.086
bonds (distance) P-C4' energy: -49.075
flat angles C4'-P-C4' energy: -58.149
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -5.083
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: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1147.352447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.352447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.352447 (E_RNA)
where:
Base-Base interactions energy: -814.532
where: short stacking energy: -331.335
Base-Backbone interact. energy: 0.684
local terms energy: -333.503924
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -67.223
flat angles C4'-P-C4' energy: -72.727
flat angles P-C4'-P energy: -45.646
tors. eta vs tors. theta energy: -95.670
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: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1082.959277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.959277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.959277 (E_RNA)
where:
Base-Base interactions energy: -761.196
where: short stacking energy: -317.535
Base-Backbone interact. energy: -3.409
local terms energy: -318.353673
where:
bonds (distance) C4'-P energy: -58.688
bonds (distance) P-C4' energy: -56.458
flat angles C4'-P-C4' energy: -66.102
flat angles P-C4'-P energy: -36.128
tors. eta vs tors. theta energy: -100.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1036.041103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.041103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.041103 (E_RNA)
where:
Base-Base interactions energy: -709.383
where: short stacking energy: -302.642
Base-Backbone interact. energy: -1.597
local terms energy: -325.060983
where:
bonds (distance) C4'-P energy: -62.003
bonds (distance) P-C4' energy: -55.321
flat angles C4'-P-C4' energy: -65.630
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -91.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1003.081563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.081563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.081563 (E_RNA)
where:
Base-Base interactions energy: -715.166
where: short stacking energy: -314.198
Base-Backbone interact. energy: -0.580
local terms energy: -287.335248
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -48.367
flat angles C4'-P-C4' energy: -57.274
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: -88.750
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: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -956.681026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.681026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.681026 (E_RNA)
where:
Base-Base interactions energy: -693.422
where: short stacking energy: -274.541
Base-Backbone interact. energy: -0.119
local terms energy: -263.139768
where:
bonds (distance) C4'-P energy: -44.973
bonds (distance) P-C4' energy: -48.368
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -38.567
tors. eta vs tors. theta energy: -72.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -886.697060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.697060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.697060 (E_RNA)
where:
Base-Base interactions energy: -612.497
where: short stacking energy: -266.405
Base-Backbone interact. energy: -0.183
local terms energy: -274.016954
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -44.596
flat angles C4'-P-C4' energy: -60.773
flat angles P-C4'-P energy: -43.569
tors. eta vs tors. theta energy: -70.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -848.275845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.275845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.275845 (E_RNA)
where:
Base-Base interactions energy: -591.499
where: short stacking energy: -258.397
Base-Backbone interact. energy: -1.117
local terms energy: -255.659353
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -69.228
flat angles P-C4'-P energy: -30.026
tors. eta vs tors. theta energy: -64.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -599.538842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.538842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.538842 (E_RNA)
where:
Base-Base interactions energy: -373.415
where: short stacking energy: -166.378
Base-Backbone interact. energy: -1.522
local terms energy: -224.601411
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -63.316
flat angles C4'-P-C4' energy: -52.427
flat angles P-C4'-P energy: -29.462
tors. eta vs tors. theta energy: -25.290
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: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -601.041369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.041369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.041369 (E_RNA)
where:
Base-Base interactions energy: -399.237
where: short stacking energy: -181.806
Base-Backbone interact. energy: -0.492
local terms energy: -201.312096
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -42.574
flat angles C4'-P-C4' energy: -46.708
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -565.637953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.637953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.637953 (E_RNA)
where:
Base-Base interactions energy: -374.103
where: short stacking energy: -184.129
Base-Backbone interact. energy: 3.562
local terms energy: -195.097072
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -31.127
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1149.099366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.099366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.099366 (E_RNA)
where:
Base-Base interactions energy: -820.049
where: short stacking energy: -337.079
Base-Backbone interact. energy: 0.917
local terms energy: -329.967767
where:
bonds (distance) C4'-P energy: -54.608
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -69.199
flat angles P-C4'-P energy: -42.234
tors. eta vs tors. theta energy: -99.012
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: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1087.833568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.833568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.833568 (E_RNA)
where:
Base-Base interactions energy: -761.731
where: short stacking energy: -321.478
Base-Backbone interact. energy: -1.922
local terms energy: -324.180861
where:
bonds (distance) C4'-P energy: -55.533
bonds (distance) P-C4' energy: -63.930
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -102.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1021.850911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.850911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.850911 (E_RNA)
where:
Base-Base interactions energy: -695.846
where: short stacking energy: -303.643
Base-Backbone interact. energy: -1.382
local terms energy: -324.622866
where:
bonds (distance) C4'-P energy: -66.686
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -64.703
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -92.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -982.622394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.622394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.622394 (E_RNA)
where:
Base-Base interactions energy: -680.713
where: short stacking energy: -298.583
Base-Backbone interact. energy: 0.570
local terms energy: -302.478709
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -54.031
flat angles C4'-P-C4' energy: -65.276
flat angles P-C4'-P energy: -47.685
tors. eta vs tors. theta energy: -88.163
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: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -960.547664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.547664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.547664 (E_RNA)
where:
Base-Base interactions energy: -673.290
where: short stacking energy: -269.320
Base-Backbone interact. energy: 2.204
local terms energy: -289.462171
where:
bonds (distance) C4'-P energy: -53.519
bonds (distance) P-C4' energy: -58.158
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -48.455
tors. eta vs tors. theta energy: -64.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -890.678436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.678436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.678436 (E_RNA)
where:
Base-Base interactions energy: -603.720
where: short stacking energy: -269.583
Base-Backbone interact. energy: 1.727
local terms energy: -288.685103
where:
bonds (distance) C4'-P energy: -45.943
bonds (distance) P-C4' energy: -62.521
flat angles C4'-P-C4' energy: -62.770
flat angles P-C4'-P energy: -39.552
tors. eta vs tors. theta energy: -77.900
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: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -857.625727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.625727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.625727 (E_RNA)
where:
Base-Base interactions energy: -576.981
where: short stacking energy: -257.943
Base-Backbone interact. energy: -1.645
local terms energy: -278.999612
where:
bonds (distance) C4'-P energy: -47.939
bonds (distance) P-C4' energy: -61.599
flat angles C4'-P-C4' energy: -64.073
flat angles P-C4'-P energy: -32.292
tors. eta vs tors. theta energy: -73.096
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: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -624.870209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.870209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.870209 (E_RNA)
where:
Base-Base interactions energy: -394.827
where: short stacking energy: -181.053
Base-Backbone interact. energy: -2.391
local terms energy: -227.652876
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -49.220
flat angles C4'-P-C4' energy: -51.092
flat angles P-C4'-P energy: -29.389
tors. eta vs tors. theta energy: -31.976
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: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -651.095810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.095810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.095810 (E_RNA)
where:
Base-Base interactions energy: -418.352
where: short stacking energy: -208.812
Base-Backbone interact. energy: 0.339
local terms energy: -233.082961
where:
bonds (distance) C4'-P energy: -45.352
bonds (distance) P-C4' energy: -60.480
flat angles C4'-P-C4' energy: -62.611
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -41.064
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: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -582.532359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.532359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.532359 (E_RNA)
where:
Base-Base interactions energy: -372.096
where: short stacking energy: -176.744
Base-Backbone interact. energy: 0.477
local terms energy: -210.913158
where:
bonds (distance) C4'-P energy: -41.826
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -38.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1149.737842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.737842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.737842 (E_RNA)
where:
Base-Base interactions energy: -817.812
where: short stacking energy: -338.460
Base-Backbone interact. energy: -1.570
local terms energy: -330.355695
where:
bonds (distance) C4'-P energy: -59.297
bonds (distance) P-C4' energy: -65.160
flat angles C4'-P-C4' energy: -70.486
flat angles P-C4'-P energy: -42.468
tors. eta vs tors. theta energy: -92.944
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: 445
Temperature: 0.950000
Total energy: -1099.089685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.089685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.089685 (E_RNA)
where:
Base-Base interactions energy: -756.724
where: short stacking energy: -300.569
Base-Backbone interact. energy: -1.284
local terms energy: -341.081703
where:
bonds (distance) C4'-P energy: -61.588
bonds (distance) P-C4' energy: -60.971
flat angles C4'-P-C4' energy: -69.001
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -103.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1006.650376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.650376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.650376 (E_RNA)
where:
Base-Base interactions energy: -700.903
where: short stacking energy: -313.401
Base-Backbone interact. energy: -0.046
local terms energy: -305.701312
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -63.844
flat angles C4'-P-C4' energy: -59.423
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -91.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -991.393241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.393241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.393241 (E_RNA)
where:
Base-Base interactions energy: -691.403
where: short stacking energy: -306.552
Base-Backbone interact. energy: -0.419
local terms energy: -299.571122
where:
bonds (distance) C4'-P energy: -54.894
bonds (distance) P-C4' energy: -57.411
flat angles C4'-P-C4' energy: -67.336
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: -82.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -959.297539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.297539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.297539 (E_RNA)
where:
Base-Base interactions energy: -682.959
where: short stacking energy: -262.701
Base-Backbone interact. energy: 0.015
local terms energy: -276.353425
where:
bonds (distance) C4'-P energy: -51.920
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -55.460
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -70.011
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: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -886.321470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.321470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.321470 (E_RNA)
where:
Base-Base interactions energy: -601.608
where: short stacking energy: -253.352
Base-Backbone interact. energy: -1.360
local terms energy: -283.354057
where:
bonds (distance) C4'-P energy: -63.806
bonds (distance) P-C4' energy: -60.596
flat angles C4'-P-C4' energy: -58.730
flat angles P-C4'-P energy: -32.287
tors. eta vs tors. theta energy: -67.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -864.363804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.363804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.363804 (E_RNA)
where:
Base-Base interactions energy: -611.055
where: short stacking energy: -260.936
Base-Backbone interact. energy: 2.450
local terms energy: -255.759113
where:
bonds (distance) C4'-P energy: -59.664
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -53.762
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -60.543
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: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -644.299879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.299879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.299879 (E_RNA)
where:
Base-Base interactions energy: -405.078
where: short stacking energy: -195.925
Base-Backbone interact. energy: -0.890
local terms energy: -238.331421
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -58.319
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -36.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -579.967676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.967676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.967676 (E_RNA)
where:
Base-Base interactions energy: -368.318
where: short stacking energy: -191.147
Base-Backbone interact. energy: 0.622
local terms energy: -212.271606
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -57.692
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -32.958
tors. eta vs tors. theta energy: -33.875
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: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -652.679885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.679885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.679885 (E_RNA)
where:
Base-Base interactions energy: -417.564
where: short stacking energy: -190.711
Base-Backbone interact. energy: 2.800
local terms energy: -237.916685
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -61.585
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -55.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1142.088983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.088983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.088983 (E_RNA)
where:
Base-Base interactions energy: -818.512
where: short stacking energy: -325.688
Base-Backbone interact. energy: -2.445
local terms energy: -321.131401
where:
bonds (distance) C4'-P energy: -58.311
bonds (distance) P-C4' energy: -57.435
flat angles C4'-P-C4' energy: -68.488
flat angles P-C4'-P energy: -39.477
tors. eta vs tors. theta energy: -97.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1098.480403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.480403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.480403 (E_RNA)
where:
Base-Base interactions energy: -760.000
where: short stacking energy: -315.712
Base-Backbone interact. energy: -3.436
local terms energy: -335.044172
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -68.504
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: -98.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1006.024826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.024826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.024826 (E_RNA)
where:
Base-Base interactions energy: -711.203
where: short stacking energy: -321.296
Base-Backbone interact. energy: 5.292
local terms energy: -300.113695
where:
bonds (distance) C4'-P energy: -57.441
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -57.368
flat angles P-C4'-P energy: -38.725
tors. eta vs tors. theta energy: -88.659
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: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -970.784179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.784179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.784179 (E_RNA)
where:
Base-Base interactions energy: -674.623
where: short stacking energy: -299.200
Base-Backbone interact. energy: 0.718
local terms energy: -296.879652
where:
bonds (distance) C4'-P energy: -54.962
bonds (distance) P-C4' energy: -61.801
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: -79.066
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: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -979.847857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.847857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.847857 (E_RNA)
where:
Base-Base interactions energy: -692.497
where: short stacking energy: -284.670
Base-Backbone interact. energy: -0.910
local terms energy: -286.440704
where:
bonds (distance) C4'-P energy: -58.966
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -64.081
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -73.305
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: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -881.042070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.042070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.042070 (E_RNA)
where:
Base-Base interactions energy: -616.250
where: short stacking energy: -254.987
Base-Backbone interact. energy: -0.567
local terms energy: -264.225555
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -52.413
flat angles C4'-P-C4' energy: -61.444
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -67.600
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: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -895.424739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.424739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.424739 (E_RNA)
where:
Base-Base interactions energy: -616.074
where: short stacking energy: -263.630
Base-Backbone interact. energy: 0.457
local terms energy: -279.808279
where:
bonds (distance) C4'-P energy: -62.219
bonds (distance) P-C4' energy: -52.603
flat angles C4'-P-C4' energy: -59.381
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -71.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -610.426470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.426470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.426470 (E_RNA)
where:
Base-Base interactions energy: -399.838
where: short stacking energy: -191.919
Base-Backbone interact. energy: 0.111
local terms energy: -210.699485
where:
bonds (distance) C4'-P energy: -44.217
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -49.695
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -38.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -653.541487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.541487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.541487 (E_RNA)
where:
Base-Base interactions energy: -414.658
where: short stacking energy: -190.376
Base-Backbone interact. energy: 0.819
local terms energy: -239.702372
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -52.269
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -35.567
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: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -615.730131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.730131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.730131 (E_RNA)
where:
Base-Base interactions energy: -394.716
where: short stacking energy: -162.316
Base-Backbone interact. energy: -1.088
local terms energy: -219.926582
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -38.226
flat angles C4'-P-C4' energy: -46.862
flat angles P-C4'-P energy: -41.573
tors. eta vs tors. theta energy: -34.818
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: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1127.777309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.777309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.777309 (E_RNA)
where:
Base-Base interactions energy: -806.334
where: short stacking energy: -319.746
Base-Backbone interact. energy: -1.651
local terms energy: -319.792524
where:
bonds (distance) C4'-P energy: -65.831
bonds (distance) P-C4' energy: -61.313
flat angles C4'-P-C4' energy: -63.805
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: -92.403
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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1099.769459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.769459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.769459 (E_RNA)
where:
Base-Base interactions energy: -768.052
where: short stacking energy: -305.038
Base-Backbone interact. energy: -3.895
local terms energy: -327.821550
where:
bonds (distance) C4'-P energy: -64.877
bonds (distance) P-C4' energy: -58.290
flat angles C4'-P-C4' energy: -63.003
flat angles P-C4'-P energy: -39.415
tors. eta vs tors. theta energy: -102.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1053.606449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.606449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.606449 (E_RNA)
where:
Base-Base interactions energy: -743.054
where: short stacking energy: -315.832
Base-Backbone interact. energy: 0.944
local terms energy: -311.497001
where:
bonds (distance) C4'-P energy: -57.261
bonds (distance) P-C4' energy: -60.807
flat angles C4'-P-C4' energy: -66.728
flat angles P-C4'-P energy: -39.742
tors. eta vs tors. theta energy: -86.958
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: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1005.838013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.838013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.838013 (E_RNA)
where:
Base-Base interactions energy: -696.508
where: short stacking energy: -281.285
Base-Backbone interact. energy: -3.672
local terms energy: -305.657917
where:
bonds (distance) C4'-P energy: -55.815
bonds (distance) P-C4' energy: -57.601
flat angles C4'-P-C4' energy: -66.702
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -78.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -968.167781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.167781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.167781 (E_RNA)
where:
Base-Base interactions energy: -659.450
where: short stacking energy: -316.799
Base-Backbone interact. energy: -1.624
local terms energy: -307.093840
where:
bonds (distance) C4'-P energy: -47.847
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -60.144
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -103.446
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: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -895.801872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.801872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.801872 (E_RNA)
where:
Base-Base interactions energy: -598.954
where: short stacking energy: -266.933
Base-Backbone interact. energy: -0.428
local terms energy: -296.419093
where:
bonds (distance) C4'-P energy: -57.459
bonds (distance) P-C4' energy: -52.810
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -78.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -881.667377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.667377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.667377 (E_RNA)
where:
Base-Base interactions energy: -601.343
where: short stacking energy: -256.802
Base-Backbone interact. energy: 0.654
local terms energy: -280.978495
where:
bonds (distance) C4'-P energy: -67.089
bonds (distance) P-C4' energy: -49.009
flat angles C4'-P-C4' energy: -63.826
flat angles P-C4'-P energy: -38.195
tors. eta vs tors. theta energy: -62.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -635.629277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.629277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.629277 (E_RNA)
where:
Base-Base interactions energy: -416.007
where: short stacking energy: -208.481
Base-Backbone interact. energy: -0.285
local terms energy: -219.337289
where:
bonds (distance) C4'-P energy: -50.557
bonds (distance) P-C4' energy: -56.551
flat angles C4'-P-C4' energy: -49.827
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -40.994
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: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -587.299273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.299273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.299273 (E_RNA)
where:
Base-Base interactions energy: -356.820
where: short stacking energy: -172.893
Base-Backbone interact. energy: -1.045
local terms energy: -229.434737
where:
bonds (distance) C4'-P energy: -48.533
bonds (distance) P-C4' energy: -55.382
flat angles C4'-P-C4' energy: -56.197
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -35.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -633.112993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.112993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.112993 (E_RNA)
where:
Base-Base interactions energy: -416.056
where: short stacking energy: -176.532
Base-Backbone interact. energy: -1.840
local terms energy: -215.216767
where:
bonds (distance) C4'-P energy: -55.989
bonds (distance) P-C4' energy: -55.049
flat angles C4'-P-C4' energy: -45.247
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -30.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1149.885863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.885863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.885863 (E_RNA)
where:
Base-Base interactions energy: -815.725
where: short stacking energy: -338.801
Base-Backbone interact. energy: 0.046
local terms energy: -334.206944
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -64.880
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: -95.762
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: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1111.098742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.098742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.098742 (E_RNA)
where:
Base-Base interactions energy: -778.518
where: short stacking energy: -308.214
Base-Backbone interact. energy: -1.965
local terms energy: -330.616185
where:
bonds (distance) C4'-P energy: -55.538
bonds (distance) P-C4' energy: -60.303
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -50.451
tors. eta vs tors. theta energy: -100.067
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: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1040.916875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.916875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.916875 (E_RNA)
where:
Base-Base interactions energy: -723.117
where: short stacking energy: -317.130
Base-Backbone interact. energy: -0.427
local terms energy: -317.372054
where:
bonds (distance) C4'-P energy: -59.357
bonds (distance) P-C4' energy: -61.067
flat angles C4'-P-C4' energy: -62.618
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -93.272
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: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -986.880141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.880141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.880141 (E_RNA)
where:
Base-Base interactions energy: -700.630
where: short stacking energy: -277.195
Base-Backbone interact. energy: 1.250
local terms energy: -287.500181
where:
bonds (distance) C4'-P energy: -50.302
bonds (distance) P-C4' energy: -65.025
flat angles C4'-P-C4' energy: -57.675
flat angles P-C4'-P energy: -49.158
tors. eta vs tors. theta energy: -65.340
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: 448
Temperature: 1.100000
Total energy: -965.531182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.531182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.531182 (E_RNA)
where:
Base-Base interactions energy: -657.061
where: short stacking energy: -291.968
Base-Backbone interact. energy: -0.637
local terms energy: -307.833686
where:
bonds (distance) C4'-P energy: -64.143
bonds (distance) P-C4' energy: -57.195
flat angles C4'-P-C4' energy: -64.620
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -83.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -875.040696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.040696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.040696 (E_RNA)
where:
Base-Base interactions energy: -612.502
where: short stacking energy: -274.734
Base-Backbone interact. energy: -1.948
local terms energy: -260.591181
where:
bonds (distance) C4'-P energy: -58.674
bonds (distance) P-C4' energy: -37.975
flat angles C4'-P-C4' energy: -66.941
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -62.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -880.227195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.227195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.227195 (E_RNA)
where:
Base-Base interactions energy: -611.757
where: short stacking energy: -276.685
Base-Backbone interact. energy: 3.886
local terms energy: -272.356332
where:
bonds (distance) C4'-P energy: -45.121
bonds (distance) P-C4' energy: -54.237
flat angles C4'-P-C4' energy: -63.691
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -70.661
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: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -657.258879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.258879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.258879 (E_RNA)
where:
Base-Base interactions energy: -441.568
where: short stacking energy: -204.443
Base-Backbone interact. energy: 0.488
local terms energy: -216.179174
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -48.483
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -47.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -624.780970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.780970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.780970 (E_RNA)
where:
Base-Base interactions energy: -390.573
where: short stacking energy: -160.986
Base-Backbone interact. energy: -1.306
local terms energy: -232.902081
where:
bonds (distance) C4'-P energy: -43.681
bonds (distance) P-C4' energy: -58.107
flat angles C4'-P-C4' energy: -57.330
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: -38.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -546.437879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.437879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.437879 (E_RNA)
where:
Base-Base interactions energy: -349.423
where: short stacking energy: -165.546
Base-Backbone interact. energy: -0.466
local terms energy: -196.548963
where:
bonds (distance) C4'-P energy: -56.739
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1154.995309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.995309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.995309 (E_RNA)
where:
Base-Base interactions energy: -829.184
where: short stacking energy: -350.153
Base-Backbone interact. energy: -1.321
local terms energy: -324.490118
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -63.089
flat angles C4'-P-C4' energy: -65.312
flat angles P-C4'-P energy: -34.088
tors. eta vs tors. theta energy: -98.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1068.386107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.386107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.386107 (E_RNA)
where:
Base-Base interactions energy: -737.064
where: short stacking energy: -324.484
Base-Backbone interact. energy: -2.963
local terms energy: -328.359163
where:
bonds (distance) C4'-P energy: -63.004
bonds (distance) P-C4' energy: -69.182
flat angles C4'-P-C4' energy: -62.860
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -87.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1072.960034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.960034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.960034 (E_RNA)
where:
Base-Base interactions energy: -751.420
where: short stacking energy: -299.860
Base-Backbone interact. energy: -2.441
local terms energy: -319.099158
where:
bonds (distance) C4'-P energy: -52.306
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -65.338
flat angles P-C4'-P energy: -49.198
tors. eta vs tors. theta energy: -95.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1010.901246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.901246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.901246 (E_RNA)
where:
Base-Base interactions energy: -688.646
where: short stacking energy: -307.927
Base-Backbone interact. energy: -3.937
local terms energy: -318.318005
where:
bonds (distance) C4'-P energy: -54.823
bonds (distance) P-C4' energy: -64.155
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -88.280
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: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -952.066921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.066921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.066921 (E_RNA)
where:
Base-Base interactions energy: -658.988
where: short stacking energy: -272.347
Base-Backbone interact. energy: -1.197
local terms energy: -291.881621
where:
bonds (distance) C4'-P energy: -61.123
bonds (distance) P-C4' energy: -56.214
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -71.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -892.850177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.850177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.850177 (E_RNA)
where:
Base-Base interactions energy: -625.071
where: short stacking energy: -285.060
Base-Backbone interact. energy: -0.775
local terms energy: -267.004222
where:
bonds (distance) C4'-P energy: -56.218
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -35.881
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: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -850.733322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.733322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.733322 (E_RNA)
where:
Base-Base interactions energy: -593.026
where: short stacking energy: -247.791
Base-Backbone interact. energy: 0.203
local terms energy: -257.910546
where:
bonds (distance) C4'-P energy: -49.805
bonds (distance) P-C4' energy: -50.459
flat angles C4'-P-C4' energy: -63.048
flat angles P-C4'-P energy: -30.647
tors. eta vs tors. theta energy: -63.952
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: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -705.095126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.095126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.095126 (E_RNA)
where:
Base-Base interactions energy: -465.761
where: short stacking energy: -220.586
Base-Backbone interact. energy: -0.532
local terms energy: -238.802153
where:
bonds (distance) C4'-P energy: -43.854
bonds (distance) P-C4' energy: -46.677
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -45.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -619.323022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.323022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.323022 (E_RNA)
where:
Base-Base interactions energy: -397.773
where: short stacking energy: -181.988
Base-Backbone interact. energy: -2.350
local terms energy: -219.199978
where:
bonds (distance) C4'-P energy: -53.631
bonds (distance) P-C4' energy: -49.639
flat angles C4'-P-C4' energy: -52.361
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -32.163
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: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -542.613670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.613670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.613670 (E_RNA)
where:
Base-Base interactions energy: -326.745
where: short stacking energy: -137.233
Base-Backbone interact. energy: 1.667
local terms energy: -217.535641
where:
bonds (distance) C4'-P energy: -42.993
bonds (distance) P-C4' energy: -61.277
flat angles C4'-P-C4' energy: -53.276
flat angles P-C4'-P energy: -38.169
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1140.475705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.475705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.475705 (E_RNA)
where:
Base-Base interactions energy: -803.686
where: short stacking energy: -342.107
Base-Backbone interact. energy: -1.782
local terms energy: -335.007739
where:
bonds (distance) C4'-P energy: -60.546
bonds (distance) P-C4' energy: -66.352
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -36.792
tors. eta vs tors. theta energy: -99.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1065.269584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.269584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.269584 (E_RNA)
where:
Base-Base interactions energy: -745.676
where: short stacking energy: -317.492
Base-Backbone interact. energy: -0.128
local terms energy: -319.466061
where:
bonds (distance) C4'-P energy: -56.697
bonds (distance) P-C4' energy: -64.393
flat angles C4'-P-C4' energy: -70.487
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -89.394
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: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1054.127471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.127471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.127471 (E_RNA)
where:
Base-Base interactions energy: -741.311
where: short stacking energy: -304.742
Base-Backbone interact. energy: -1.127
local terms energy: -311.688919
where:
bonds (distance) C4'-P energy: -52.733
bonds (distance) P-C4' energy: -50.430
flat angles C4'-P-C4' energy: -63.902
flat angles P-C4'-P energy: -50.798
tors. eta vs tors. theta energy: -93.826
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: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -975.397470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.397470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.397470 (E_RNA)
where:
Base-Base interactions energy: -660.259
where: short stacking energy: -296.529
Base-Backbone interact. energy: -0.829
local terms energy: -314.309880
where:
bonds (distance) C4'-P energy: -58.590
bonds (distance) P-C4' energy: -49.565
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -48.685
tors. eta vs tors. theta energy: -91.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -954.846563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.846563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.846563 (E_RNA)
where:
Base-Base interactions energy: -647.819
where: short stacking energy: -286.514
Base-Backbone interact. energy: -0.220
local terms energy: -306.807475
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -58.153
flat angles C4'-P-C4' energy: -68.255
flat angles P-C4'-P energy: -39.456
tors. eta vs tors. theta energy: -84.667
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: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -956.099960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.099960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.099960 (E_RNA)
where:
Base-Base interactions energy: -660.170
where: short stacking energy: -265.751
Base-Backbone interact. energy: -0.590
local terms energy: -295.339584
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -60.695
flat angles C4'-P-C4' energy: -57.433
flat angles P-C4'-P energy: -46.423
tors. eta vs tors. theta energy: -72.189
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: 450
Temperature: 1.200000
Total energy: -840.023828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.023828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.023828 (E_RNA)
where:
Base-Base interactions energy: -569.764
where: short stacking energy: -250.741
Base-Backbone interact. energy: -1.111
local terms energy: -269.148587
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -61.173
flat angles P-C4'-P energy: -41.678
tors. eta vs tors. theta energy: -60.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -690.397473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.397473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.397473 (E_RNA)
where:
Base-Base interactions energy: -467.901
where: short stacking energy: -228.755
Base-Backbone interact. energy: -0.784
local terms energy: -221.713228
where:
bonds (distance) C4'-P energy: -44.809
bonds (distance) P-C4' energy: -39.536
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -47.073
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: 450
Temperature: 1.300000
Total energy: -594.387052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.387052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.387052 (E_RNA)
where:
Base-Base interactions energy: -372.413
where: short stacking energy: -160.312
Base-Backbone interact. energy: -0.838
local terms energy: -221.136607
where:
bonds (distance) C4'-P energy: -56.312
bonds (distance) P-C4' energy: -52.737
flat angles C4'-P-C4' energy: -40.153
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -31.538
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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -581.517012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.517012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.517012 (E_RNA)
where:
Base-Base interactions energy: -359.006
where: short stacking energy: -167.709
Base-Backbone interact. energy: -1.661
local terms energy: -220.849868
where:
bonds (distance) C4'-P energy: -57.045
bonds (distance) P-C4' energy: -48.696
flat angles C4'-P-C4' energy: -50.027
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -36.662
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: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1139.135703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.135703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.135703 (E_RNA)
where:
Base-Base interactions energy: -821.641
where: short stacking energy: -349.955
Base-Backbone interact. energy: -2.406
local terms energy: -315.088426
where:
bonds (distance) C4'-P energy: -63.420
bonds (distance) P-C4' energy: -57.870
flat angles C4'-P-C4' energy: -64.780
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -89.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1071.757678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.757678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.757678 (E_RNA)
where:
Base-Base interactions energy: -742.897
where: short stacking energy: -329.280
Base-Backbone interact. energy: 0.471
local terms energy: -329.331633
where:
bonds (distance) C4'-P energy: -59.617
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -68.410
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -93.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1047.535221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.535221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.535221 (E_RNA)
where:
Base-Base interactions energy: -731.738
where: short stacking energy: -310.915
Base-Backbone interact. energy: -2.048
local terms energy: -313.749188
where:
bonds (distance) C4'-P energy: -52.813
bonds (distance) P-C4' energy: -58.173
flat angles C4'-P-C4' energy: -67.096
flat angles P-C4'-P energy: -49.821
tors. eta vs tors. theta energy: -85.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -987.437346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.437346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.437346 (E_RNA)
where:
Base-Base interactions energy: -674.114
where: short stacking energy: -312.408
Base-Backbone interact. energy: 0.115
local terms energy: -313.438031
where:
bonds (distance) C4'-P energy: -52.140
bonds (distance) P-C4' energy: -56.493
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: -93.216
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -938.461547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.461547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.461547 (E_RNA)
where:
Base-Base interactions energy: -637.117
where: short stacking energy: -280.164
Base-Backbone interact. energy: 0.498
local terms energy: -301.843211
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -62.857
flat angles C4'-P-C4' energy: -63.384
flat angles P-C4'-P energy: -42.676
tors. eta vs tors. theta energy: -78.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -869.655446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.655446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.655446 (E_RNA)
where:
Base-Base interactions energy: -593.197
where: short stacking energy: -250.814
Base-Backbone interact. energy: 2.674
local terms energy: -279.132392
where:
bonds (distance) C4'-P energy: -58.835
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -64.472
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -66.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -949.165990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.165990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.165990 (E_RNA)
where:
Base-Base interactions energy: -668.299
where: short stacking energy: -253.208
Base-Backbone interact. energy: 0.234
local terms energy: -281.100728
where:
bonds (distance) C4'-P energy: -48.110
bonds (distance) P-C4' energy: -54.193
flat angles C4'-P-C4' energy: -65.024
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -67.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -761.143991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.143991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.143991 (E_RNA)
where:
Base-Base interactions energy: -487.553
where: short stacking energy: -225.857
Base-Backbone interact. energy: -0.120
local terms energy: -273.471447
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -62.999
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: -66.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -598.257739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.257739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.257739 (E_RNA)
where:
Base-Base interactions energy: -388.526
where: short stacking energy: -183.133
Base-Backbone interact. energy: -0.977
local terms energy: -208.754332
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -47.500
flat angles C4'-P-C4' energy: -53.082
flat angles P-C4'-P energy: -36.490
tors. eta vs tors. theta energy: -35.565
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: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -635.884933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.884933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.884933 (E_RNA)
where:
Base-Base interactions energy: -418.463
where: short stacking energy: -196.833
Base-Backbone interact. energy: -1.007
local terms energy: -216.414491
where:
bonds (distance) C4'-P energy: -41.124
bonds (distance) P-C4' energy: -49.154
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -39.483
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)
out arg RESULTS//1/tRNASec-092c60bd_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1133.241136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.241136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.241136 (E_RNA)
where:
Base-Base interactions energy: -818.652
where: short stacking energy: -334.547
Base-Backbone interact. energy: -2.926
local terms energy: -311.662692
where:
bonds (distance) C4'-P energy: -47.037
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -62.990
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -97.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1047.482334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.482334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.482334 (E_RNA)
where:
Base-Base interactions energy: -731.486
where: short stacking energy: -322.748
Base-Backbone interact. energy: -0.387
local terms energy: -315.609902
where:
bonds (distance) C4'-P energy: -59.724
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -89.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1081.331445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.331445 (E_RNA)
where:
Base-Base interactions energy: -759.629
where: short stacking energy: -299.408
Base-Backbone interact. energy: -3.594
local terms energy: -318.108349
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -53.727
flat angles C4'-P-C4' energy: -58.728
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -96.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -965.506717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.506717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.506717 (E_RNA)
where:
Base-Base interactions energy: -658.790
where: short stacking energy: -313.806
Base-Backbone interact. energy: 0.665
local terms energy: -307.381485
where:
bonds (distance) C4'-P energy: -54.035
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -62.311
flat angles P-C4'-P energy: -44.255
tors. eta vs tors. theta energy: -93.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -870.183295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.183295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.183295 (E_RNA)
where:
Base-Base interactions energy: -591.219
where: short stacking energy: -259.093
Base-Backbone interact. energy: 0.857
local terms energy: -279.822172
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -64.351
flat angles C4'-P-C4' energy: -58.212
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -71.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -885.953871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.953871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.953871 (E_RNA)
where:
Base-Base interactions energy: -614.335
where: short stacking energy: -284.214
Base-Backbone interact. energy: -0.595
local terms energy: -271.023711
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -54.433
flat angles C4'-P-C4' energy: -62.286
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -73.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -903.999929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.999929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.999929 (E_RNA)
where:
Base-Base interactions energy: -631.367
where: short stacking energy: -235.743
Base-Backbone interact. energy: -0.515
local terms energy: -272.117912
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -52.138
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -43.052
tors. eta vs tors. theta energy: -68.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -777.003160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.003160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.003160 (E_RNA)
where:
Base-Base interactions energy: -515.225
where: short stacking energy: -226.551
Base-Backbone interact. energy: -0.620
local terms energy: -261.158127
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -58.822
flat angles C4'-P-C4' energy: -61.931
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -59.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -625.105385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.105385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.105385 (E_RNA)
where:
Base-Base interactions energy: -425.999
where: short stacking energy: -186.494
Base-Backbone interact. energy: -0.857
local terms energy: -198.249850
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -46.750
flat angles C4'-P-C4' energy: -37.835
flat angles P-C4'-P energy: -28.753
tors. eta vs tors. theta energy: -38.515
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: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -566.399519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.399519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.399519 (E_RNA)
where:
Base-Base interactions energy: -344.191
where: short stacking energy: -168.192
Base-Backbone interact. energy: -1.600
local terms energy: -220.609188
where:
bonds (distance) C4'-P energy: -54.183
bonds (distance) P-C4' energy: -57.399
flat angles C4'-P-C4' energy: -56.012
flat angles P-C4'-P energy: -28.105
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)